data_1saf_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 1saf _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 . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.299 0.571 . . . . 1.7 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 18.8 m-85 -93.63 157.42 16.19 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.228 -0.92 . . . . 1.04 109.544 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 85.6 m-85 -139.11 -173.14 3.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.316 -0.865 . . . . 0.65000000000000002 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.7 p -153.4 160.38 42.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 109.427 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.05 133.53 18.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 1.0900000000000001 109.289 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.65 130.05 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 1.3700000000000001 109.649 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.3 mt -123.82 110.8 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 109.394 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.29 146.01 45.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 2.79 109.52 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.2 127.73 5.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.45000000000000001 109.772 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.2 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 3.1600000000000001 109.47 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 22.5 pt-20 -58.05 -43.95 87.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.301 -0.875 . . . . 2.2200000000000002 109.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 0.5 OUTLIER -59.8 -40.51 88.59 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.357 -0.839 . . . . 3.54 109.651 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' C' ' 329' ' ' THR . 65.0 t80 -55.26 -53.69 52.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.5 109.865 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.69 -36.34 35.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.6599999999999999 109.992 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.27 -50.78 68.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.95 . . . . 1.1499999999999999 110.482 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -60.52 -52.25 65.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.34000000000000002 109.341 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.89 -37.07 41.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.322 -0.861 . . . . 2.9399999999999999 109.716 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.38 -50.79 72.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.18 -0.95 . . . . 1.74 109.846 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.88 -34.54 74.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.907 . . . . 1.0700000000000001 108.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.88 -54.18 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.401 -0.812 . . . . 1.22 109.364 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.57 69.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.347 -0.846 . . . . 1.72 109.769 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.04 2.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 110.046 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -39.05 85.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.289 -0.882 . . . . 1.0800000000000001 109.485 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.03 -34.61 73.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 1.9099999999999999 109.264 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.91 -40.42 95.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 109.094 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -52.54 61.96 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.689 0.756 . . . . 2.1400000000000001 109.146 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.65 -30.66 63.59 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.662 -0.649 . . . . 1.4299999999999999 109.841 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.85 91.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 1.3 109.866 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' HD22 ' B' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.803 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.452 -0.573 . . . . 1.6100000000000001 109.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.56 157.52 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.96999999999999997 109.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.5 m-85 -139.19 -173.32 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.203 -0.935 . . . . 0.59999999999999998 109.414 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 39.3 p -153.25 160.42 42.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 1.1000000000000001 109.513 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.02 133.57 18.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.251 -0.905 . . . . 1.1000000000000001 109.311 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.76 129.91 34.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.644 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.3 mt -123.71 111.06 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 1.1699999999999999 109.411 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -73.51 145.93 45.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 2.79 109.417 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.31 127.75 5.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.745 -1.342 . . . . 0.47999999999999998 109.745 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.2 ttt180 -72.55 -54.99 7.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.29 -1.124 . . . . 3.2200000000000002 109.426 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -58.04 -43.79 87.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 2.21 109.564 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -40.43 89.03 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.295 -0.878 . . . . 3.5499999999999998 109.64 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 65.0 t80 -55.39 -53.63 53.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.842 . . . . 0.52000000000000002 109.825 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -50.76 -36.29 35.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 1.6799999999999999 109.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.25 -50.93 68.25 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 110.367 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -60.42 -52.2 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.96 . . . . 0.33000000000000002 109.411 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.99 -37.07 42.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 3.02 109.611 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.37 -50.85 72.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 1.75 109.814 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.87 -34.5 74.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 1.0700000000000001 108.934 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.86 -54.24 49.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.454 -0.779 . . . . 1.21 109.42 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.391 -0.818 . . . . 1.6899999999999999 109.821 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.0 2.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.146 -0.971 . . . . 1.0600000000000001 110.04 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.41 -38.95 85.66 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.441 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.12 -34.52 73.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 1.9299999999999999 109.261 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.447 HD22 ' NE2' ' A' ' 354' ' ' GLN . 20.0 tp -64.91 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 1.1399999999999999 109.096 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -52.65 61.7 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.472 -0.767 . . . . 2.1899999999999999 109.097 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.56 -30.73 63.47 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.76 -0.587 . . . . 1.4299999999999999 109.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.79 91.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 1.3100000000000001 109.872 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.174 -0.954 . . . . 1.3999999999999999 109.692 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.433 -0.58 . . . . 2.1099999999999999 109.433 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 18.7 m-85 -93.64 157.56 16.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 1.01 109.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 85.8 m-85 -139.24 -173.33 3.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.57999999999999996 109.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 39.7 p -153.19 160.51 42.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.98 . . . . 1.1599999999999999 109.461 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -148.12 133.48 18.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.37 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.69 129.97 34.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.303 -0.873 . . . . 1.8100000000000001 109.659 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.77 110.9 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 1.1299999999999999 109.445 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.33 145.96 45.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 2.8199999999999998 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.67 5.49 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.779 -1.328 . . . . 0.45000000000000001 109.779 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.4 ttt180 -72.41 -54.99 7.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -1.134 . . . . 3.0800000000000001 109.527 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.11 -43.93 87.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 2.54 109.517 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -40.37 88.42 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.212 -0.93 . . . . 4.1100000000000003 109.621 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 329' ' ' THR . 65.0 t80 -55.4 -53.69 53.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.56999999999999995 109.815 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.6 -36.29 34.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 1.6599999999999999 110.071 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.38 -50.91 68.05 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.176 -0.952 . . . . 1.29 110.381 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -60.44 -52.31 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.40000000000000002 109.288 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -50.89 -36.97 40.93 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.438 -0.789 . . . . 3.8500000000000001 109.783 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.41 -50.76 72.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -1.0 . . . . 1.78 109.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.95 -34.48 74.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 1.1699999999999999 108.937 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.84 -54.16 50.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 1.2 109.536 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.79 -28.47 69.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.436 -0.79 . . . . 2.1200000000000001 109.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.57 -61.01 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 1.0700000000000001 109.934 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.48 -38.89 85.73 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.29 -0.881 . . . . 1.1399999999999999 109.48 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.97 -34.59 73.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 2.0899999999999999 109.288 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.89 -40.45 95.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 1.3799999999999999 109.076 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -52.54 61.76 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.641 0.734 . . . . 2.6800000000000002 109.087 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.59 -30.7 63.5 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.664 -0.647 . . . . 1.3400000000000001 109.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.78 91.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 1.3 109.928 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.46 ' NE2' HD22 ' D' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.115 -0.991 . . . . 1.8 109.735 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.462 -0.569 . . . . 1.6699999999999999 109.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 18.6 m-85 -93.57 157.46 16.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 1.01 109.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.0 m-85 -139.12 -173.31 3.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.874 . . . . 0.63 109.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.9 p -153.21 160.38 42.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.215 -0.928 . . . . 1.1299999999999999 109.535 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.3 tp -147.98 133.6 18.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.1000000000000001 109.377 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.89 . . . . 1.3700000000000001 109.703 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -123.65 110.84 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 1.1499999999999999 109.46 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.32 145.87 45.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 2.77 109.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.76 5.52 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.666 -1.374 . . . . 0.42999999999999999 109.666 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.3 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -1.092 . . . . 3.1200000000000001 109.497 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.08 -43.93 87.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.38 -0.825 . . . . 2.2200000000000002 109.414 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -40.39 88.36 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.286 -0.884 . . . . 3.5 109.673 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.4 -53.73 52.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.297 -0.877 . . . . 0.5 109.834 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.54 -36.31 33.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.6899999999999999 110.133 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -63.39 -50.8 68.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.1 -1.0 . . . . 1.1399999999999999 110.444 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -60.49 -52.2 66.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.988 -1.07 . . . . 0.32000000000000001 109.314 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.06 -36.99 42.89 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.406 -0.808 . . . . 2.96 109.67 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.31 -50.78 72.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 1.75 109.797 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.99 -34.53 74.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 108.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.9 -54.18 50.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.414 -0.804 . . . . 1.22 109.373 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.84 -28.52 69.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 1.73 109.78 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.5 -61.08 2.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.985 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.2 mt -60.34 -38.93 85.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.292 -0.88 . . . . 1.1100000000000001 109.5 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.07 -34.53 73.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.277 -0.89 . . . . 1.9099999999999999 109.28 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.46 HD22 ' NE2' ' C' ' 354' ' ' GLN . 20.0 tp -64.92 -40.49 95.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.781 . . . . 1.1699999999999999 109.06 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -52.58 61.9 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.501 -0.749 . . . . 2.1499999999999999 109.161 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.53 -30.7 63.37 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.706 -0.622 . . . . 1.4399999999999999 109.946 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.85 91.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.3 109.901 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.964 . . . . 1.3999999999999999 109.698 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.454 -0.573 . . . . 1.7 109.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.76 152.15 19.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 1.04 109.405 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.1 m-85 -137.73 -168.29 2.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.65000000000000002 109.486 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 10.9 p -153.47 155.18 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.252 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.81 133.01 16.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.091 -1.005 . . . . 1.0900000000000001 109.754 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -85.71 133.02 34.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.883 . . . . 1.3700000000000001 109.154 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.7 114.0 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 109.747 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.29 44.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.429 -0.794 . . . . 2.79 109.442 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 98.17 134.05 8.21 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.665 -1.374 . . . . 0.45000000000000001 109.665 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.4 ttm180 -77.02 -60.79 2.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -1.102 . . . . 3.1600000000000001 109.416 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.97 -38.55 76.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 2.2200000000000002 109.22 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.86 -44.64 94.03 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.309 -0.869 . . . . 3.54 109.413 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.68 -53.58 54.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.5 109.724 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -50.86 -37.33 42.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.186 -0.946 . . . . 1.6599999999999999 110.074 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.61 -50.9 67.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.135 -0.978 . . . . 1.1499999999999999 110.599 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.23 -51.36 69.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.34000000000000002 109.388 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -50.65 -42.08 56.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.435 -0.79 . . . . 2.9399999999999999 109.795 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.31 -42.23 95.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.174 -0.954 . . . . 1.74 109.919 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.2 -45.02 95.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.19 -0.944 . . . . 1.0700000000000001 109.444 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.9 -47.81 81.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.287 -0.883 . . . . 1.22 109.551 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.16 -32.87 73.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 1.72 109.582 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.61 -52.64 64.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 1.0700000000000001 109.745 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.1 -40.29 93.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.359 -0.838 . . . . 1.0800000000000001 109.477 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.95 -38.22 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 1.9099999999999999 109.584 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.431 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 0.7 OUTLIER -64.6 -41.72 96.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.1499999999999999 109.231 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 1.1 tppp? -60.29 -45.46 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.549 -0.908 . . . . 2.1400000000000001 108.549 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.94 -29.75 60.63 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.244 -0.65 . . . . 1.4299999999999999 109.244 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.83 95.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 1.3 109.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 1.4199999999999999 109.054 179.58 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.394 -0.595 . . . . 1.6100000000000001 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -93.79 152.19 19.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.96999999999999997 109.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.7 m-85 -137.78 -168.38 2.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.953 . . . . 0.59999999999999998 109.632 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.1 p -153.38 155.28 36.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.332 -0.855 . . . . 1.1000000000000001 109.249 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.94 132.94 16.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.159 -0.963 . . . . 1.1000000000000001 109.731 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 7.3 tt0 -85.65 133.09 34.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 109.195 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.74 114.04 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.164 -0.96 . . . . 1.1699999999999999 109.672 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 4.1 ttt180 -73.69 146.32 44.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.417 -0.802 . . . . 2.79 109.354 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 98.22 133.92 8.16 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.716 -1.353 . . . . 0.47999999999999998 109.716 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.4 ttm180 -76.91 -60.93 2.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -1.132 . . . . 3.2200000000000002 109.421 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.94 -38.29 75.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.391 -0.818 . . . . 2.21 109.281 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.99 -44.71 94.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.254 -0.904 . . . . 3.5499999999999998 109.378 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.62 -53.69 53.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.428 -0.795 . . . . 0.52000000000000002 109.683 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -50.77 -37.34 41.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.809 . . . . 1.6799999999999999 110.031 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.75 -50.78 67.71 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.098 -1.001 . . . . 1.1499999999999999 110.453 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.37 -51.33 69.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.197 -0.939 . . . . 0.33000000000000002 109.313 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.67 -42.09 56.27 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.436 -0.79 . . . . 3.02 109.77 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.21 -42.31 94.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.226 -0.922 . . . . 1.75 109.931 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.18 -44.99 95.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.95 -47.74 82.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.436 -0.79 . . . . 1.21 109.539 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.81 73.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.391 -0.818 . . . . 1.6899999999999999 109.572 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.58 64.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 1.0600000000000001 109.822 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.11 -40.35 93.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.239 -0.913 . . . . 1.0800000000000001 109.456 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.88 -38.23 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.883 . . . . 1.9299999999999999 109.53 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -64.72 -41.69 95.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.375 -0.828 . . . . 1.1399999999999999 109.199 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -45.44 93.38 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.577 -0.897 . . . . 2.1899999999999999 108.577 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -55.97 -29.77 60.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.165 -0.68 . . . . 1.4299999999999999 109.165 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.81 95.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.485 -0.76 . . . . 1.3100000000000001 109.143 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.3999999999999999 109.076 179.507 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.46 -0.57 . . . . 2.1099999999999999 109.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -93.77 152.22 19.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.214 -0.929 . . . . 1.01 109.425 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -137.74 -168.43 2.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.589 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 11.0 p -153.36 155.13 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 1.1599999999999999 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.85 132.99 16.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 1.1699999999999999 109.684 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 7.2 tt0 -85.76 133.05 34.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 1.8100000000000001 109.188 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.6 mt -123.65 113.93 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.112 -0.992 . . . . 1.1299999999999999 109.724 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.32 44.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.381 -0.825 . . . . 2.8199999999999998 109.45 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 98.22 133.97 8.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.688 -1.365 . . . . 0.45000000000000001 109.688 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttm180 -77.05 -60.72 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 3.0800000000000001 109.435 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.99 -38.42 76.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 2.54 109.243 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.91 -44.72 94.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.328 -0.857 . . . . 4.1100000000000003 109.43 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -55.72 -53.53 55.51 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.373 -0.829 . . . . 0.56999999999999995 109.731 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.78 -37.42 42.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 1.6599999999999999 110.051 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.64 -50.79 67.91 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.192 -0.943 . . . . 1.29 110.604 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.28 -51.45 69.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.123 -0.985 . . . . 0.40000000000000002 109.298 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.63 -42.1 55.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.501 -0.749 . . . . 3.8500000000000001 109.814 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.18 -42.38 94.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 109.936 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.11 -44.98 95.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 1.1699999999999999 109.537 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -57.86 -47.81 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.269 -0.895 . . . . 1.2 109.587 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.78 73.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.426 -0.796 . . . . 2.1200000000000001 109.565 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.54 64.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.764 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.04 -40.39 93.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.1399999999999999 109.494 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.85 -38.19 81.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 2.0899999999999999 109.605 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.453 HD13 ' HD3' ' D' ' 351' ' ' LYS . 0.7 OUTLIER -64.75 -41.61 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 1.3799999999999999 109.296 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -60.35 -45.22 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.65 -0.87 . . . . 2.6800000000000002 108.65 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -56.07 -29.82 61.09 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.143 -0.688 . . . . 1.3400000000000001 109.143 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.7 94.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.378 -0.826 . . . . 1.3 109.181 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.94 . . . . 1.8 109.088 179.55 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.418 -0.586 . . . . 1.6699999999999999 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.86 152.11 19.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.21 -0.931 . . . . 1.01 109.449 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.5 m-85 -137.59 -168.3 2.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.909 . . . . 0.63 109.607 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 11.0 p -153.44 155.21 35.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 1.1299999999999999 109.171 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 20.5 tp -149.94 133.01 16.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 1.1000000000000001 109.698 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 7.2 tt0 -85.74 132.97 34.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 1.3700000000000001 109.166 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.59 113.93 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.085 -1.01 . . . . 1.1499999999999999 109.769 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 4.1 ttt180 -73.57 146.41 44.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 2.77 109.402 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 98.11 133.92 8.14 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.732 -1.347 . . . . 0.42999999999999999 109.732 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.4 ttm180 -76.96 -60.93 2.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -1.167 . . . . 3.1200000000000001 109.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.235 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.87 -44.64 94.05 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.335 -0.853 . . . . 3.5 109.43 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -55.75 -53.59 54.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.444 -0.785 . . . . 0.5 109.673 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.87 -37.24 42.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.151 -0.968 . . . . 1.6899999999999999 110.084 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.77 -50.83 67.48 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.196 -0.94 . . . . 1.1399999999999999 110.479 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -60.36 -51.31 70.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.32000000000000001 109.339 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -50.6 -42.13 55.54 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.487 -0.758 . . . . 2.96 109.714 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.32 -42.31 95.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.198 -0.939 . . . . 1.75 109.836 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.15 -44.94 95.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.5 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.94 -47.89 81.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 1.22 109.496 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.06 -32.91 73.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 1.73 109.577 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.54 64.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.718 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.1 -40.45 93.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 1.1100000000000001 109.458 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -59.73 -38.27 81.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.9099999999999999 109.587 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -64.74 -41.66 95.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.336 -0.853 . . . . 1.1699999999999999 109.21 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.453 ' HD3' HD13 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -60.3 -45.35 93.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.616 -0.883 . . . . 2.1499999999999999 108.616 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -56.0 -29.8 60.86 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.248 -0.649 . . . . 1.4399999999999999 109.248 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.83 95.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.385 -0.822 . . . . 1.3 109.129 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.359 -0.838 . . . . 1.3999999999999999 109.067 179.536 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.287 0.565 . . . . 1.7 109.625 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 10.5 m-85 -94.16 153.06 18.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 1.04 109.442 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.22 -167.0 2.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.65000000000000002 109.742 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 3.6 p -153.23 159.65 42.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.137 -0.977 . . . . 1.1399999999999999 109.616 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 329' ' ' THR . 20.0 tp -149.82 134.89 17.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 1.0900000000000001 109.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.451 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 12.7 tt0 -86.03 132.75 33.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.314 -0.867 . . . . 1.3700000000000001 109.552 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.524 HG22 ' CD2' ' A' ' 341' ' ' PHE . 39.3 mt -124.01 118.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 109.524 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.63 148.16 43.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.96 . . . . 2.79 109.593 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.36 140.39 10.87 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.936 -1.266 . . . . 0.45000000000000001 109.936 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.99 1.97 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 3.1600000000000001 109.382 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -42.24 86.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.184 -0.947 . . . . 2.2200000000000002 109.413 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.526 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 0.3 OUTLIER -60.65 -40.67 92.88 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.246 -0.909 . . . . 3.54 109.453 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -55.14 -56.49 19.34 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.315 -0.866 . . . . 0.5 109.652 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -50.78 -32.06 18.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.6599999999999999 109.833 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.08 -50.05 72.08 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 1.1499999999999999 109.932 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' A' ' 332' ' ' ILE . 21.5 m-85 -60.91 -47.57 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.27 -0.894 . . . . 0.34000000000000002 109.119 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.12 -42.86 60.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -0.837 . . . . 2.9399999999999999 109.391 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -41.0 93.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 1.74 109.842 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.0 -45.51 93.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.501 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 52.5 t30 -57.98 -49.23 77.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.289 -0.882 . . . . 1.22 109.862 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.41 -34.98 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 1.72 109.779 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.95 72.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.564 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.439 HD12 ' NH1' ' C' ' 337' ' ' ARG . 63.7 mt -61.76 -36.94 82.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.294 -0.879 . . . . 1.0800000000000001 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.45 -39.78 88.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.771 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.515 HD22 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -62.8 -47.28 84.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 1.1499999999999999 109.945 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.95 -40.9 95.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.212 -0.93 . . . . 2.1400000000000001 109.196 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.41 -32.56 64.96 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.573 -0.704 . . . . 1.4299999999999999 109.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.23 83.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.3 109.576 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.278 -0.889 . . . . 1.4199999999999999 109.592 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.338 0.59 . . . . 1.6100000000000001 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.4 m-85 -94.22 153.09 18.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.96999999999999997 109.422 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.6 m-85 -139.19 -167.13 2.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.095 -1.003 . . . . 0.59999999999999998 109.755 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.5 p -153.15 159.73 42.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 1.1000000000000001 109.603 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' D' ' 329' ' ' THR . 20.3 tp -149.94 134.85 17.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.306 -0.871 . . . . 1.1000000000000001 109.431 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -86.05 132.83 33.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.3600000000000001 109.594 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.524 HG22 ' CD2' ' B' ' 341' ' ' PHE . 39.4 mt -124.09 119.02 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.293 -0.879 . . . . 1.1699999999999999 109.456 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.65 148.28 42.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 2.79 109.659 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.33 140.48 10.93 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.896 -1.282 . . . . 0.47999999999999998 109.896 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.96 1.98 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -1.12 . . . . 3.2200000000000002 109.378 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -42.29 87.69 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.229 -0.92 . . . . 2.21 109.413 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.517 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -60.5 -40.64 92.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.29 -0.881 . . . . 3.5499999999999998 109.48 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.2 t80 -55.37 -56.17 23.15 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.396 -0.815 . . . . 0.52000000000000002 109.697 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.97 -31.89 19.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 1.6799999999999999 109.88 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.15 -50.02 72.04 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 109.95 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' B' ' 332' ' ' ILE . 21.4 m-85 -60.9 -47.5 86.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.33000000000000002 109.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -51.22 -42.91 61.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 3.02 109.417 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -41.08 93.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 1.75 109.83 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.99 -45.43 93.65 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 109.486 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.17 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.884 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.3 -35.09 76.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 109.78 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.78 72.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 1.0600000000000001 109.505 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.504 HD12 ' NH1' ' D' ' 337' ' ' ARG . 64.7 mt -61.99 -36.8 82.59 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.374 -0.829 . . . . 1.0800000000000001 109.199 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.62 -39.63 88.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 1.9299999999999999 109.823 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.86 -47.14 84.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 1.1399999999999999 109.952 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -61.04 -40.85 95.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.23 -0.919 . . . . 2.1899999999999999 109.189 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.36 -32.66 64.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.403 -0.811 . . . . 1.4299999999999999 109.352 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.29 84.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.3100000000000001 109.613 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.515 ' NE2' HD22 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 1.3999999999999999 109.572 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.244 0.545 . . . . 2.1099999999999999 109.683 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 10.4 m-85 -94.19 153.19 18.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.01 109.402 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.2 m-85 -139.28 -166.96 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.57999999999999996 109.665 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.7 p -153.2 159.65 42.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.1599999999999999 109.58 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.9 tp -149.83 134.92 17.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.508 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 12.7 tt0 -86.12 132.77 33.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.25 -0.907 . . . . 1.8100000000000001 109.584 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' C' ' 341' ' ' PHE . 39.0 mt -124.02 119.03 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.926 . . . . 1.1299999999999999 109.51 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.72 148.05 43.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.307 -0.871 . . . . 2.8199999999999998 109.591 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.44 140.57 11.02 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.863 -1.295 . . . . 0.45000000000000001 109.863 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.6 ttt180 -83.29 -61.06 1.95 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.244 -1.151 . . . . 3.0800000000000001 109.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.25 87.35 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.256 -0.903 . . . . 2.54 109.481 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.515 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 0.3 OUTLIER -60.49 -40.5 91.55 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.158 -0.964 . . . . 4.1100000000000003 109.599 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.3 t80 -55.38 -56.39 20.67 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.418 -0.801 . . . . 0.56999999999999995 109.644 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -50.76 -32.01 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 1.6599999999999999 109.802 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.08 -50.09 71.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.101 -0.999 . . . . 1.29 109.943 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.513 ' CD2' HG22 ' C' ' 332' ' ' ILE . 21.0 m-85 -60.97 -47.6 85.67 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.207 -0.933 . . . . 0.40000000000000002 109.048 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -51.13 -42.87 60.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 3.8500000000000001 109.489 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -41.0 93.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.338 -0.851 . . . . 1.78 109.805 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.11 -45.5 93.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.1699999999999999 109.522 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.04 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.2 109.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.42 -35.16 76.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 2.1200000000000001 109.713 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.82 72.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 109.532 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.451 HD12 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.79 -36.94 82.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.428 -0.795 . . . . 1.1399999999999999 109.257 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.54 -39.6 88.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.366 -0.834 . . . . 2.0899999999999999 109.818 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.89 -47.37 83.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 1.3799999999999999 109.911 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.95 -40.82 94.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 2.6800000000000002 109.152 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.44 -32.56 65.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.449 -0.782 . . . . 1.3400000000000001 109.352 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.34 84.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.309 -0.869 . . . . 1.3 109.614 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD22 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.8 109.578 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.269 0.557 . . . . 1.6699999999999999 109.638 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.7 m-85 -94.31 153.23 18.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.257 -0.902 . . . . 1.01 109.329 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.4 m-85 -139.35 -167.07 2.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.63 109.629 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.6 p -153.17 159.75 42.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 1.1299999999999999 109.588 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.1 tp -149.9 134.76 17.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -0.959 . . . . 1.1000000000000001 109.463 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 12.6 tt0 -86.0 132.84 33.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.205 -0.934 . . . . 1.3700000000000001 109.626 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.517 HG22 ' CD2' ' D' ' 341' ' ' PHE . 39.7 mt -124.14 119.05 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 109.412 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.7 148.22 42.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 2.77 109.53 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.29 140.52 10.94 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.887 -1.285 . . . . 0.42999999999999999 109.887 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.4 ttt180 -83.25 -60.86 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 3.1200000000000001 109.499 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.38 88.1 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.323 -0.861 . . . . 2.2200000000000002 109.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.512 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 0.3 OUTLIER -60.45 -40.63 91.84 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.29 -0.881 . . . . 3.5 109.51 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.1 t80 -55.31 -56.31 21.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.489 -0.757 . . . . 0.5 109.607 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.91 -31.94 19.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.6899999999999999 109.778 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.13 -49.97 72.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 109.966 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.517 ' CD2' HG22 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.08 -47.66 85.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.224 -0.923 . . . . 0.32000000000000001 109.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -42.94 60.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.96 109.416 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.99 93.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.289 -0.882 . . . . 1.75 109.88 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.1 mt -62.07 -45.47 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 109.518 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 52.2 t30 -58.04 -49.17 77.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.38 -0.825 . . . . 1.22 109.831 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.33 -35.17 76.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.73 109.74 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.06 71.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.536 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.498 HD12 ' NH1' ' B' ' 337' ' ' ARG . 63.7 mt -61.79 -36.76 82.03 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.295 -0.878 . . . . 1.1100000000000001 109.333 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.63 -39.69 89.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.753 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.458 HD22 ' NE2' ' C' ' 354' ' ' GLN . 12.6 tp -62.73 -47.31 84.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.94 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.89 -40.92 94.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.398 -0.814 . . . . 2.1499999999999999 109.265 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.42 -32.54 64.95 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.479 -0.763 . . . . 1.4399999999999999 109.318 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.44 84.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.377 -0.827 . . . . 1.3 109.533 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.611 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.492 -0.559 . . . . 1.7 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -93.9 156.63 16.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 1.04 109.445 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.2 m-85 -139.11 -168.99 2.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.894 . . . . 0.65000000000000002 109.425 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.458 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 11.2 p -152.78 161.09 43.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 1.1399999999999999 109.573 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' C' ' 329' ' ' THR . 17.2 tp -147.87 130.92 16.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 1.0900000000000001 109.423 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.74 130.99 34.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 1.3700000000000001 109.715 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.92 121.09 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.154 -0.966 . . . . 1.1499999999999999 109.472 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -73.75 147.92 43.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 2.79 109.506 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 139.2 7.64 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.791 -1.324 . . . . 0.45000000000000001 109.791 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 22.8 ttp180 -82.78 -55.12 4.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.372 -1.075 . . . . 3.1600000000000001 109.519 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -58.41 -44.62 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.39 -0.819 . . . . 2.2200000000000002 109.477 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.524 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -41.94 94.76 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.144 -0.972 . . . . 3.54 109.262 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 52.8 t80 -55.93 -52.12 65.23 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.46 -0.775 . . . . 0.5 109.78 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.46 -36.13 32.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.418 -0.801 . . . . 1.6599999999999999 110.086 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -62.82 -48.44 79.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.117 -0.989 . . . . 1.1499999999999999 110.011 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -60.96 -49.06 78.99 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.283 -0.886 . . . . 0.34000000000000002 109.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.13 -41.99 60.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.44 -0.788 . . . . 2.9399999999999999 109.599 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.17 -41.65 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 1.74 109.847 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.08 -45.87 91.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 1.0700000000000001 109.524 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -57.59 -45.24 85.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.22 109.519 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.06 -37.31 84.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 1.72 109.777 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -50.67 72.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.918 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.505 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 20.2 mt -61.11 -40.45 93.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 1.0800000000000001 109.696 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.94 -39.02 87.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.99 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 12.6 tp -64.03 -44.53 92.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 1.1499999999999999 109.881 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 26.5 ttmt -62.14 -43.09 99.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 2.1400000000000001 109.341 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.92 -33.35 66.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.505 -0.747 . . . . 1.4299999999999999 109.803 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.59 79.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 1.3 109.772 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.183 -0.948 . . . . 1.4199999999999999 109.516 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.464 -0.569 . . . . 1.6100000000000001 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.91 156.56 16.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.96999999999999997 109.489 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 74.1 m-85 -139.1 -168.96 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.59999999999999998 109.519 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 11.3 p -152.72 161.06 43.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.141 -0.975 . . . . 1.1000000000000001 109.642 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' D' ' 329' ' ' THR . 17.4 tp -147.84 130.82 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.927 . . . . 1.1000000000000001 109.385 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 45.6 tt0 -86.68 130.95 34.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 1.3600000000000001 109.756 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.84 121.02 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.939 . . . . 1.1699999999999999 109.552 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.68 147.86 43.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 2.79 109.609 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.31 139.23 7.71 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.799 -1.32 . . . . 0.47999999999999998 109.799 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 22.9 ttp180 -82.84 -55.18 4.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -1.157 . . . . 3.2200000000000002 109.462 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.39 -44.53 89.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.21 109.511 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.38 -42.01 94.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.252 -0.905 . . . . 3.5499999999999998 109.345 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.5 t80 -55.74 -52.27 64.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -0.81 . . . . 0.52000000000000002 109.782 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.5 -36.14 32.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.6799999999999999 110.07 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.79 -48.29 79.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.134 -0.979 . . . . 1.1499999999999999 110.095 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.403 ' CZ ' ' HA ' ' D' ' 345' ' ' ASN . 24.1 m-85 -61.02 -49.3 77.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.945 . . . . 0.33000000000000002 109.223 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -50.9 -42.07 58.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 3.02 109.627 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -0.893 . . . . 1.75 109.824 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 28.2 mt -62.11 -45.91 91.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 109.495 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.408 ' HA ' ' CZ ' ' D' ' 341' ' ' PHE . 56.6 t30 -57.62 -45.26 85.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.392 -0.818 . . . . 1.21 109.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.97 -37.33 84.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.872 . . . . 1.6899999999999999 109.819 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.6 73.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.185 -0.947 . . . . 1.0600000000000001 109.915 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.451 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 20.1 mt -61.19 -40.48 94.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.338 -0.851 . . . . 1.0800000000000001 109.729 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.84 -39.0 87.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 1.9299999999999999 110.02 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 12.6 tp -63.99 -44.56 92.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 109.921 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 26.6 ttmt -62.13 -43.13 99.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 2.1899999999999999 109.31 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -56.99 -33.31 66.99 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.464 -0.773 . . . . 1.4299999999999999 109.799 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.41 79.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.859 . . . . 1.3100000000000001 109.789 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 1.3999999999999999 109.415 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.493 -0.558 . . . . 2.1099999999999999 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -93.84 156.61 16.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 1.01 109.521 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.5 m-85 -139.07 -168.88 2.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.57999999999999996 109.524 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.3 p -152.86 160.91 43.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.106 -0.996 . . . . 1.1599999999999999 109.693 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' A' ' 329' ' ' THR . 17.3 tp -147.75 130.93 16.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 1.1699999999999999 109.419 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 45.6 tt0 -86.81 131.03 34.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.8100000000000001 109.705 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 121.0 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.1299999999999999 109.495 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -73.73 147.87 43.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 2.8199999999999998 109.546 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 139.07 7.58 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.836 -1.306 . . . . 0.45000000000000001 109.836 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.8 ttp180 -82.63 -55.12 4.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.361 -1.082 . . . . 3.0800000000000001 109.51 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.48 -44.47 89.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.35 -0.844 . . . . 2.54 109.385 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.54 -41.99 95.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 4.1100000000000003 109.2 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.0 t80 -55.79 -52.19 64.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.56999999999999995 109.801 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -50.55 -36.03 32.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 1.6599999999999999 110.05 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.88 -48.37 79.3 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.162 -0.961 . . . . 1.29 109.925 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.06 -49.09 78.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.204 -0.935 . . . . 0.40000000000000002 109.24 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.12 -42.04 60.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.493 -0.754 . . . . 3.8500000000000001 109.578 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.09 -41.64 92.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 1.78 109.809 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.11 -45.87 91.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 1.1699999999999999 109.505 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -57.6 -45.26 85.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 1.2 109.487 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -62.01 -37.44 84.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.317 -0.864 . . . . 2.1200000000000001 109.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.62 73.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.99 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 20.5 mt -61.25 -40.39 93.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.1399999999999999 109.707 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -39.04 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 2.0899999999999999 109.979 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.428 ' CD2' ' NE2' ' D' ' 354' ' ' GLN . 12.6 tp -63.99 -44.5 92.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 1.3799999999999999 109.96 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.48 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 26.5 ttmt -62.03 -43.24 99.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 2.6800000000000002 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.51 -0.744 . . . . 1.3400000000000001 109.735 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.45 79.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.3 109.781 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.8 109.412 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.428 -0.582 . . . . 1.6699999999999999 109.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -93.98 156.69 16.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.912 . . . . 1.01 109.332 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.15 -168.98 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.63 109.463 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.1 p -152.84 160.95 43.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.11 -0.994 . . . . 1.1299999999999999 109.657 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' B' ' 329' ' ' THR . 17.4 tp -147.73 130.81 16.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 1.1000000000000001 109.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 45.7 tt0 -86.78 131.08 34.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.233 -0.917 . . . . 1.3700000000000001 109.694 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.94 121.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 1.1499999999999999 109.474 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.65 147.8 43.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.308 -0.87 . . . . 2.77 109.538 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.36 139.26 7.75 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.798 -1.321 . . . . 0.42999999999999999 109.798 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.9 ttp180 -82.8 -55.19 4.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.348 -1.09 . . . . 3.1200000000000001 109.488 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -58.3 -44.74 88.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.368 -0.833 . . . . 2.2200000000000002 109.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.28 -41.97 94.46 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.284 -0.885 . . . . 3.5 109.332 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.3 t80 -55.83 -52.19 64.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.5 109.822 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.41 -36.22 31.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.6899999999999999 110.067 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.81 -48.3 79.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 110.035 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' B' ' 345' ' ' ASN . 24.3 m-85 -60.97 -49.22 78.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.18 -0.95 . . . . 0.32000000000000001 109.259 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.1 -41.95 60.32 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.474 -0.766 . . . . 2.96 109.56 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.25 -41.53 93.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 1.75 109.799 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.1 -45.88 91.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 109.564 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 56.4 t30 -57.64 -45.22 85.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.22 109.5 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.03 -37.24 84.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.73 109.862 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.62 73.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.315 -0.865 . . . . 1.0700000000000001 109.918 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.477 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 20.3 mt -61.27 -40.45 94.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.334 -0.854 . . . . 1.1100000000000001 109.719 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.79 -38.96 87.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.282 -0.886 . . . . 1.9099999999999999 109.963 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 12.6 tp -64.19 -44.51 91.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 1.1699999999999999 109.792 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -62.01 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 2.1499999999999999 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -57.04 -33.31 67.09 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.56 -0.712 . . . . 1.4399999999999999 109.677 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.48 79.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.344 -0.847 . . . . 1.3 109.755 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.428 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 5.1 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 1.3999999999999999 109.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.1 mt-10 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.322 -0.621 . . . . 1.7 109.322 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 20.6 m-85 -94.87 146.97 23.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 1.04 109.693 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 46.4 m-85 -140.37 140.19 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.65000000000000002 109.418 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.27 171.68 8.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.1399999999999999 109.627 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 25.1 tp -149.75 134.08 17.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 1.0900000000000001 109.681 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.73 122.91 31.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 109.5 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -124.16 109.12 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.344 -0.847 . . . . 1.1499999999999999 109.805 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -74.5 146.01 43.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.916 . . . . 2.79 109.47 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.68 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.889 -1.285 . . . . 0.45000000000000001 109.889 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.495 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.3 ttt180 -80.73 -54.46 5.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -1.146 . . . . 3.1600000000000001 109.27 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.58 -44.7 89.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 2.2200000000000002 109.281 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.28 -44.43 95.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.429 -0.794 . . . . 3.54 109.522 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.61 -54.18 44.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.5 109.526 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.5 -39.07 56.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 110.073 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.63 -47.03 85.51 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.192 -0.943 . . . . 1.1499999999999999 110.212 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -49.51 76.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.125 -0.984 . . . . 0.34000000000000002 109.352 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.05 -39.6 56.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 2.9399999999999999 109.394 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.29 -43.08 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 1.74 109.73 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.46 -44.98 95.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.52 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.74 -45.52 85.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.852 . . . . 1.22 109.734 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.54 -37.18 85.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 1.72 109.645 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.05 67.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 1.0700000000000001 109.936 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.304 -0.873 . . . . 1.0800000000000001 109.551 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -59.56 -37.37 78.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.478 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.53 -40.67 97.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 1.1499999999999999 109.094 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -52.52 63.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.025 -0.731 . . . . 2.1400000000000001 109.025 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.51 -29.79 62.25 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.616 -0.677 . . . . 1.4299999999999999 109.679 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.05 92.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.347 -0.846 . . . . 1.3 109.699 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.4199999999999999 109.551 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.264 -0.643 . . . . 1.6100000000000001 109.264 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 21.0 m-85 -94.86 147.05 23.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.96999999999999997 109.585 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 45.7 m-85 -140.47 140.19 35.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.868 . . . . 0.59999999999999998 109.39 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.4 p -92.25 171.64 8.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.447 -0.783 . . . . 1.1000000000000001 109.601 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 25.3 tp -149.77 134.13 17.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.604 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.84 122.91 31.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 1.3600000000000001 109.517 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.14 108.95 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.48 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -74.43 145.99 43.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.201 -0.937 . . . . 2.79 109.532 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.69 134.8 8.64 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.876 -1.29 . . . . 0.47999999999999998 109.876 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.2 ttt180 -80.76 -54.31 5.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -1.121 . . . . 3.2200000000000002 109.312 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.66 -44.71 90.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 2.21 109.356 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.44 95.15 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.344 -0.848 . . . . 3.5499999999999998 109.606 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -54.53 -54.31 42.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.348 -0.845 . . . . 0.52000000000000002 109.557 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.55 -38.97 56.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.061 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.54 -47.08 85.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.154 -0.966 . . . . 1.1499999999999999 110.217 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -49.49 76.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.138 -0.976 . . . . 0.33000000000000002 109.256 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -50.94 -39.54 55.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 3.02 109.541 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.39 -43.02 97.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.185 -0.947 . . . . 1.75 109.689 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.56 -44.84 95.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 1.0700000000000001 109.617 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.8 -45.5 85.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.321 -0.862 . . . . 1.21 109.777 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.53 -37.19 85.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 1.6899999999999999 109.643 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.94 67.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 1.0600000000000001 109.985 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.27 -40.78 95.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.331 -0.856 . . . . 1.0800000000000001 109.527 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.6 -37.22 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.9299999999999999 109.463 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.7 -40.56 97.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.271 -0.893 . . . . 1.1399999999999999 109.173 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -52.59 63.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.065 -0.717 . . . . 2.1899999999999999 109.065 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.5 -29.78 62.23 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.647 -0.658 . . . . 1.4299999999999999 109.716 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.12 92.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 1.3100000000000001 109.733 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.114 -0.991 . . . . 1.3999999999999999 109.56 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.509 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 47.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.31 -0.626 . . . . 2.1099999999999999 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.441 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 21.1 m-85 -94.89 146.98 23.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 1.01 109.612 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 46.3 m-85 -140.4 140.18 35.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.188 -0.945 . . . . 0.57999999999999996 109.362 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.5 p -92.22 171.75 8.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.885 . . . . 1.1599999999999999 109.659 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 25.2 tp -149.8 133.98 17.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 1.1699999999999999 109.685 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.65 122.92 31.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.8100000000000001 109.562 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.2 108.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.188 -0.945 . . . . 1.1299999999999999 109.878 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -74.34 146.04 43.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 2.8199999999999998 109.486 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.63 134.79 8.64 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.992 -1.243 . . . . 0.45000000000000001 109.992 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.2 ttt180 -80.66 -54.52 5.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -1.084 . . . . 3.0800000000000001 109.296 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.51 -44.84 89.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.201 -0.937 . . . . 2.54 109.297 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.37 95.2 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.252 -0.905 . . . . 4.1100000000000003 109.64 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.62 -54.27 43.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.851 . . . . 0.56999999999999995 109.493 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -51.51 -38.93 56.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 1.6599999999999999 110.141 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.59 -47.18 84.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.175 -0.953 . . . . 1.29 110.15 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.3 -49.44 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.92 . . . . 0.40000000000000002 109.327 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.0 -39.55 56.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.35 -0.844 . . . . 3.8500000000000001 109.518 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.257 -0.902 . . . . 1.78 109.739 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.5 -44.87 95.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.875 . . . . 1.1699999999999999 109.597 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -45.52 86.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.2 109.708 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.44 -37.24 85.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.921 . . . . 2.1200000000000001 109.647 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.99 67.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 109.929 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.22 -40.77 95.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 109.615 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.55 -37.24 77.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.237 -0.915 . . . . 2.0899999999999999 109.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.411 ' HG ' HD22 ' D' ' 350' ' ' LEU . 14.4 tp -63.67 -40.6 97.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 1.3799999999999999 109.105 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -52.56 63.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.429 -0.794 . . . . 2.6800000000000002 109.056 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.41 -29.86 62.08 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.644 -0.66 . . . . 1.3400000000000001 109.707 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.03 92.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 1.3 109.699 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.8 109.548 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.366 -0.605 . . . . 1.6699999999999999 109.366 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 20.6 m-85 -94.9 147.05 23.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.894 . . . . 1.01 109.561 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 46.0 m-85 -140.44 140.15 35.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.956 . . . . 0.63 109.388 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.22 171.71 8.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 1.1299999999999999 109.61 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 25.2 tp -149.78 134.03 17.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.682 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 122.86 31.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.847 . . . . 1.3700000000000001 109.551 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.21 109.09 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.938 . . . . 1.1499999999999999 109.768 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.542 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -74.48 146.15 43.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 2.77 109.477 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.53 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.925 -1.27 . . . . 0.42999999999999999 109.925 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.2 ttt180 -80.63 -54.45 5.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -1.149 . . . . 3.1200000000000001 109.326 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.55 -44.81 89.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.336 -0.852 . . . . 2.2200000000000002 109.309 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.42 95.15 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.425 -0.797 . . . . 3.5 109.58 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.6 -54.3 43.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 0.5 109.446 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.47 -39.0 56.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 1.6899999999999999 110.151 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.6 -47.05 85.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.12 -0.988 . . . . 1.1399999999999999 110.177 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.31 -49.42 77.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.32000000000000001 109.378 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.15 -39.33 56.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 2.96 109.549 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.44 -42.96 97.17 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 1.75 109.737 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.66 -44.83 95.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.292 -0.88 . . . . 1.0800000000000001 109.469 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -57.94 -45.62 86.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 1.22 109.686 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.29 -37.22 84.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.73 109.701 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.89 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 109.975 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.29 -40.86 95.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.1100000000000001 109.509 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.56 -37.29 78.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.473 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.411 HD22 ' HG ' ' C' ' 350' ' ' LEU . 14.4 tp -63.55 -40.55 97.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.207 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -52.53 63.14 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.495 -0.753 . . . . 2.1499999999999999 109.142 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -56.48 -29.71 62.08 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.594 -0.691 . . . . 1.4399999999999999 109.796 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.18 92.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 1.3 109.685 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.404 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.078 -1.013 . . . . 1.3999999999999999 109.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.319 -0.623 . . . . 1.7 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 5.2 m-85 -94.14 157.16 16.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.136 -0.977 . . . . 1.04 109.615 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.1 m-85 -140.1 -167.76 2.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.293 -0.879 . . . . 0.65000000000000002 109.604 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 15.7 p -153.06 160.11 42.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 1.1399999999999999 109.534 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.4 tp -147.91 134.27 19.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 1.0900000000000001 109.358 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.97 128.11 34.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.397 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.98 118.19 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 109.582 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 152.59 40.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 2.79 109.457 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.72 130.61 2.5 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.665 -1.374 . . . . 0.45000000000000001 109.665 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.2 ttt180 -78.67 -47.76 16.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -1.199 . . . . 3.1600000000000001 109.294 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.38 -50.37 73.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.866 . . . . 2.2200000000000002 109.407 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.59 -39.13 86.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.432 -0.793 . . . . 3.54 109.383 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' C' ' 329' ' ' THR . 60.1 t80 -55.13 -55.41 31.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.392 -0.818 . . . . 0.5 109.411 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -50.78 -38.55 48.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 1.6599999999999999 110.108 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.41 -48.85 77.91 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 110.242 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.46 -52.85 63.44 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.157 -0.965 . . . . 0.34000000000000002 109.305 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' C' ' 330' ' ' LEU . 14.6 ttp180 -50.93 -38.96 53.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 2.9399999999999999 109.739 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.71 -43.63 97.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.137 -0.977 . . . . 1.74 109.799 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.3 -41.41 98.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.124 -0.985 . . . . 1.0700000000000001 109.395 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.31 -50.31 74.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.22 109.664 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.98 -33.3 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -0.834 . . . . 1.72 110.115 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.71 64.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.111 -0.993 . . . . 1.0700000000000001 109.961 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.74 -40.61 93.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.0800000000000001 109.598 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.88 -36.73 77.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.9099999999999999 109.573 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.36 -42.31 96.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.221 -0.924 . . . . 1.1499999999999999 109.343 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.51 -48.65 80.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 2.1400000000000001 108.9 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.87 -30.46 63.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.721 -0.612 . . . . 1.4299999999999999 109.664 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.05 89.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.327 -0.858 . . . . 1.3 109.72 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.4199999999999999 109.704 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.343 -0.614 . . . . 1.6100000000000001 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 5.3 m-85 -94.19 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.96999999999999997 109.519 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.1 m-85 -140.24 -167.75 2.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.59999999999999998 109.646 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 14.9 p -152.91 160.38 43.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.23 -0.919 . . . . 1.1000000000000001 109.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.6 tp -148.1 134.15 19.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 1.1000000000000001 109.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 1.0 OUTLIER -85.8 128.05 34.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 1.3600000000000001 109.437 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.97 118.21 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 1.1699999999999999 109.653 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 152.81 39.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.291 -0.88 . . . . 2.79 109.391 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.56 130.77 2.47 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.751 -1.34 . . . . 0.47999999999999998 109.751 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 35.5 ttt180 -78.87 -47.63 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -1.066 . . . . 3.2200000000000002 109.318 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.63 -50.12 75.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 2.21 109.477 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.318 -0.863 . . . . 3.5499999999999998 109.383 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.4 t80 -55.02 -55.45 30.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.313 -0.867 . . . . 0.52000000000000002 109.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -50.83 -38.62 49.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.909 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.42 -48.86 77.83 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.093 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.47 -52.67 64.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.136 -0.977 . . . . 0.33000000000000002 109.325 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -51.03 -38.9 54.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.433 -0.792 . . . . 3.02 109.829 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -60.68 -43.67 97.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 1.75 109.86 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.31 -41.49 98.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.123 -0.986 . . . . 1.0700000000000001 109.368 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.24 -50.24 74.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.372 -0.83 . . . . 1.21 109.628 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.86 -33.49 75.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 110.071 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.78 -52.55 64.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 1.0600000000000001 109.99 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.72 -40.92 94.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.632 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.68 -36.81 77.21 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 1.9299999999999999 109.615 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.26 -42.25 96.57 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.184 -0.948 . . . . 1.1399999999999999 109.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.51 -48.8 79.41 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.888 -0.782 . . . . 2.1899999999999999 108.888 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.74 -30.59 63.72 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.604 -0.685 . . . . 1.4299999999999999 109.715 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.05 89.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 1.3100000000000001 109.721 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 1.3999999999999999 109.641 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.195 -0.668 . . . . 2.1099999999999999 109.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 5.5 m-85 -94.28 157.21 16.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 1.01 109.545 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.2 m-85 -140.15 -167.81 2.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.57999999999999996 109.661 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 15.3 p -153.06 159.81 42.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 109.615 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 342' ' ' ARG . 14.4 tp -147.61 134.43 20.1 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.32 -0.862 . . . . 1.1699999999999999 109.402 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.02 127.86 34.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 1.8100000000000001 109.392 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.75 118.27 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 1.1299999999999999 109.601 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 152.87 39.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.875 . . . . 2.8199999999999998 109.419 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.26 130.74 2.35 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.73 -1.348 . . . . 0.45000000000000001 109.73 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.4 ttt180 -78.87 -47.65 16.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -1.126 . . . . 3.0800000000000001 109.293 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.44 -50.28 74.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 2.54 109.355 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.63 -39.16 87.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.317 -0.864 . . . . 4.1100000000000003 109.453 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 329' ' ' THR . 60.3 t80 -55.17 -55.31 32.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.56999999999999995 109.438 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -50.96 -38.42 50.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 1.6599999999999999 110.016 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -62.43 -48.89 77.69 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.214 -0.929 . . . . 1.29 110.223 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.38 -52.69 64.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.131 -0.981 . . . . 0.40000000000000002 109.394 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.41 ' HA ' HD12 ' A' ' 330' ' ' LEU . 15.1 ttp180 -51.05 -38.92 54.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.45 -0.781 . . . . 3.8500000000000001 109.806 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.65 -43.68 97.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 1.78 109.854 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.39 -41.33 98.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.103 -0.998 . . . . 1.1699999999999999 109.367 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.29 -50.5 73.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.2 109.611 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.91 -33.13 74.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.214 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -59.7 -52.82 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 1.0700000000000001 109.989 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.77 -40.6 93.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.579 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.83 -36.97 77.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 2.0899999999999999 109.615 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 14.2 tp -64.1 -42.21 96.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.3799999999999999 109.355 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 5.6 ttmm -61.67 -48.65 79.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.396 -0.815 . . . . 2.6800000000000002 108.956 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.77 -30.42 63.6 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.665 -0.647 . . . . 1.3400000000000001 109.747 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.09 89.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 1.3 109.806 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.207 -0.933 . . . . 1.8 109.651 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.141 -0.689 . . . . 1.6699999999999999 109.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 5.2 m-85 -94.18 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 1.01 109.447 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.3 m-85 -140.23 -167.68 2.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.925 . . . . 0.63 109.594 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 15.2 p -152.82 160.5 43.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.959 . . . . 1.1299999999999999 109.541 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.4 tp -148.37 134.03 18.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.404 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -85.74 128.15 34.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 1.3700000000000001 109.419 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -123.96 118.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 109.578 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 152.45 40.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 2.77 109.399 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 130.65 2.56 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.694 -1.362 . . . . 0.42999999999999999 109.694 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.459 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 35.7 ttt180 -78.78 -47.51 16.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -1.199 . . . . 3.1200000000000001 109.305 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.74 -50.27 74.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.163 -0.96 . . . . 2.2200000000000002 109.369 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.61 -39.04 86.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.348 -0.845 . . . . 3.5 109.393 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 60.6 t80 -55.1 -55.32 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.5 109.536 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -50.86 -38.62 50.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.487 -0.758 . . . . 1.6899999999999999 110.021 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.51 -48.61 78.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.28 -0.888 . . . . 1.1399999999999999 110.255 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.57 -52.74 63.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.02 . . . . 0.32000000000000001 109.34 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.462 -0.774 . . . . 2.96 109.836 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -60.74 -43.55 97.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.935 . . . . 1.75 109.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.37 -41.64 98.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 1.0800000000000001 109.333 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -58.16 -50.3 73.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -0.847 . . . . 1.22 109.638 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.2 mm-40 -62.96 -33.5 75.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 1.73 110.152 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' C' ' 347' ' ' ALA . . . -59.65 -52.53 65.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 110.038 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.77 -40.95 94.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.269 -0.895 . . . . 1.1100000000000001 109.592 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.65 -36.77 77.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 109.562 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 14.0 tp -64.31 -42.24 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.202 -0.936 . . . . 1.1699999999999999 109.429 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.56 -48.68 79.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.379 -0.826 . . . . 2.1499999999999999 108.957 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -56.73 -30.52 63.61 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.602 -0.686 . . . . 1.4399999999999999 109.695 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.16 90.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.302 -0.874 . . . . 1.3 109.725 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 1.3999999999999999 109.585 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.116 0.484 . . . . 1.7 109.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -98.93 159.36 15.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.114 -0.991 . . . . 1.04 109.514 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -139.43 -169.71 2.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.839 . . . . 0.65000000000000002 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 20.8 p -153.09 158.64 42.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 109.54 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.67 132.96 16.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.874 . . . . 1.0900000000000001 109.475 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.73 33.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 1.3700000000000001 109.257 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.61 117.06 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -0.95 . . . . 1.1499999999999999 109.412 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.36 149.89 42.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 2.79 109.523 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.31 0.94 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.624 -1.39 . . . . 0.45000000000000001 109.624 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -68.75 -47.14 67.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -1.126 . . . . 3.1600000000000001 109.55 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.06 -48.19 80.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.625 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.53 -38.25 83.83 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.325 -0.86 . . . . 3.54 109.567 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.97 -54.41 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.5 109.776 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.51 50.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.026 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -62.98 -48.08 80.37 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.13 -0.981 . . . . 1.1499999999999999 110.197 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -60.86 -51.98 67.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.34000000000000002 109.321 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.13 -38.62 53.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.346 -0.846 . . . . 2.9399999999999999 109.737 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.22 97.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.105 -0.997 . . . . 1.74 109.959 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.02 -44.06 97.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -47.55 82.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.314 -0.866 . . . . 1.22 109.674 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.61 -34.17 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 1.72 109.818 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.86 -55.9 28.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 1.0700000000000001 109.807 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.15 -35.86 78.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 1.0800000000000001 109.314 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.88 -39.13 84.27 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.338 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 12.7 tp -63.83 -39.04 93.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 109.376 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.67 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.355 -0.841 . . . . 2.1400000000000001 108.943 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.29 -30.66 60.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.76 -0.588 . . . . 1.4299999999999999 109.576 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.59 -49.12 69.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 1.3 109.381 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.498 ' NE2' ' CD2' ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.913 . . . . 1.4199999999999999 109.444 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.031 0.444 . . . . 1.6100000000000001 109.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -99.01 159.42 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.162 -0.961 . . . . 0.96999999999999997 109.478 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 70.0 m-85 -139.43 -169.72 2.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.348 -0.845 . . . . 0.59999999999999998 109.38 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.6 p -153.09 158.69 42.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.976 . . . . 1.1000000000000001 109.502 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.71 133.0 16.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.893 . . . . 1.1000000000000001 109.497 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.92 134.78 33.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.256 -0.903 . . . . 1.3600000000000001 109.262 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.78 116.98 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.107 -0.995 . . . . 1.1699999999999999 109.385 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -73.29 149.92 42.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.899 . . . . 2.79 109.535 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.09 122.22 0.94 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.627 -1.389 . . . . 0.47999999999999998 109.627 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -68.7 -47.08 67.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -1.132 . . . . 3.2200000000000002 109.62 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -58.02 -48.35 80.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.958 . . . . 2.21 109.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.43 -38.28 83.6 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.334 -0.854 . . . . 3.5499999999999998 109.526 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' D' ' 329' ' ' THR . 65.6 t80 -54.95 -54.49 42.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.435 -0.791 . . . . 0.52000000000000002 109.724 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.46 49.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 1.6799999999999999 110.077 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.01 -48.06 80.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.097 -1.002 . . . . 1.1499999999999999 110.248 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -60.94 -51.89 67.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.33000000000000002 109.359 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -51.03 -38.79 53.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.33 -0.856 . . . . 3.02 109.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.99 -44.23 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.198 -0.939 . . . . 1.75 109.96 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.15 -43.77 98.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -0.853 . . . . 1.0700000000000001 109.574 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.11 -47.43 83.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 1.21 109.693 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.65 -34.16 76.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 109.792 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.82 29.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 1.0600000000000001 109.821 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.21 -35.85 78.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.37 -0.831 . . . . 1.0800000000000001 109.341 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.327 -0.858 . . . . 1.9299999999999999 109.383 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.498 ' CD2' ' NE2' ' A' ' 354' ' ' GLN . 12.7 tp -63.96 -39.0 93.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.1399999999999999 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.05 -49.64 75.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 2.1899999999999999 108.966 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.28 -30.59 60.42 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.64 -0.663 . . . . 1.4299999999999999 109.663 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.73 -49.15 69.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 1.3100000000000001 109.397 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.268 -0.895 . . . . 1.3999999999999999 109.597 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.061 0.458 . . . . 2.1099999999999999 109.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -99.04 159.41 14.99 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.078 -1.014 . . . . 1.01 109.401 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -139.45 -169.68 2.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.57999999999999996 109.38 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 20.7 p -153.12 158.58 42.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 1.1599999999999999 109.603 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.61 133.07 16.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.337 -0.852 . . . . 1.1699999999999999 109.397 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 134.73 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.8100000000000001 109.359 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.5 mt -123.71 116.91 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.178 -0.951 . . . . 1.1299999999999999 109.473 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.12 149.88 42.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 2.8199999999999998 109.506 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.15 122.09 0.94 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.638 -1.385 . . . . 0.45000000000000001 109.638 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -68.53 -47.17 67.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -1.137 . . . . 3.0800000000000001 109.665 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.96 -48.28 80.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 2.54 109.608 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.52 -38.23 83.74 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.349 -0.844 . . . . 4.1100000000000003 109.469 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.05 -54.4 43.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.436 -0.79 . . . . 0.56999999999999995 109.681 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.54 -37.52 49.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.371 -0.831 . . . . 1.6599999999999999 110.044 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.02 -47.98 80.73 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.158 -0.964 . . . . 1.29 110.228 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -60.95 -51.9 67.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.40000000000000002 109.382 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.1 -38.67 53.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 3.8500000000000001 109.734 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.02 -44.25 97.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.966 . . . . 1.78 109.929 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.154 -0.966 . . . . 1.1699999999999999 109.5 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -57.98 -47.41 83.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 1.2 109.797 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.67 -34.2 76.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 2.1200000000000001 109.718 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.78 29.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.781 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.21 -35.98 78.65 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.24 -0.912 . . . . 1.1399999999999999 109.214 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.79 -39.18 84.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 2.0899999999999999 109.373 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.7 -39.24 93.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -0.86 . . . . 1.3799999999999999 109.33 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.65 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.875 . . . . 2.6800000000000002 109.073 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.15 -30.7 60.37 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.63 -0.669 . . . . 1.3400000000000001 109.706 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -49.0 70.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.222 -0.924 . . . . 1.3 109.429 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.862 . . . . 1.8 109.536 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.105 0.479 . . . . 1.6699999999999999 109.971 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -98.86 159.39 14.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.051 -1.031 . . . . 1.01 109.554 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.1 m-85 -139.4 -169.74 2.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.63 109.409 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.1 158.53 42.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.115 -0.991 . . . . 1.1299999999999999 109.604 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.64 132.99 16.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 109.458 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.78 33.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 109.303 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.77 117.03 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.131 -0.98 . . . . 1.1499999999999999 109.395 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -73.27 149.84 42.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 2.77 109.527 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.17 121.99 0.93 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.691 -1.364 . . . . 0.42999999999999999 109.691 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -68.47 -47.08 68.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 3.1200000000000001 109.764 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.04 -48.13 81.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.923 . . . . 2.2200000000000002 109.731 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.6 -38.24 84.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.213 -0.93 . . . . 3.5 109.491 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' B' ' 329' ' ' THR . 65.7 t80 -55.0 -54.38 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.5 109.797 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.54 -37.45 49.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 1.6899999999999999 110.081 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -63.15 -48.03 80.17 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.152 -0.968 . . . . 1.1399999999999999 110.126 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -60.9 -51.96 67.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.32000000000000001 109.383 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.01 -38.79 53.48 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.407 -0.808 . . . . 2.96 109.685 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.18 97.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.174 -0.954 . . . . 1.75 109.939 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.13 -43.9 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 1.0800000000000001 109.556 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.09 -47.4 83.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.171 -0.956 . . . . 1.22 109.679 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.78 -34.08 76.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.73 109.661 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.95 27.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 1.0700000000000001 109.801 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.97 -35.95 78.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.43 -0.794 . . . . 1.1100000000000001 109.454 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.83 -39.23 84.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.9099999999999999 109.333 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.79 -39.08 93.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 109.364 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -49.64 75.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 2.1499999999999999 108.986 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.27 -30.74 60.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.712 -0.617 . . . . 1.4399999999999999 109.619 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.13 70.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 1.3 109.46 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.3999999999999999 109.539 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.581 -0.525 . . . . 1.7 109.581 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.05 161.58 14.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.303 -0.873 . . . . 1.04 109.545 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.5 m-85 -138.84 -171.56 3.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.65000000000000002 109.387 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.474 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.4 p -154.96 152.62 29.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 1.1399999999999999 109.616 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.26 129.77 15.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 1.0900000000000001 109.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 13.7 tt0 -86.44 134.9 33.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 1.3700000000000001 109.527 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 341' ' ' PHE . 28.0 mt -123.71 115.23 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 109.413 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 141.74 46.39 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 2.79 109.669 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.85 -1.3 . . . . 0.45000000000000001 109.85 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.2 OUTLIER -70.78 -50.6 34.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 3.1600000000000001 109.355 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.76 -44.52 90.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.257 -0.902 . . . . 2.2200000000000002 109.611 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' CG ' ' NH1' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -44.95 86.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.174 -0.954 . . . . 3.54 109.928 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 25.7 t80 -55.26 -58.8 6.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.5 109.712 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -50.91 -34.92 30.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.169 -0.957 . . . . 1.6599999999999999 110.016 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.73 -52.38 57.36 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 110.517 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.417 ' CB ' HD12 ' A' ' 332' ' ' ILE . 21.9 m-85 -60.91 -54.38 45.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.148 -0.97 . . . . 0.34000000000000002 109.363 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.27 -36.75 32.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.414 -0.804 . . . . 2.9399999999999999 109.435 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.218 -0.926 . . . . 1.74 109.641 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.33 -46.27 89.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -0.845 . . . . 1.0700000000000001 109.608 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.39 -43.72 88.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 1.22 109.923 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -39.21 93.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.882 . . . . 1.72 109.978 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -53.52 56.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 110.037 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.29 -39.55 90.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.0800000000000001 109.774 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.0 -37.56 82.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.9099999999999999 109.823 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.53 -43.4 94.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 109.81 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 35.2 ttmt -63.53 -44.91 92.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.878 . . . . 2.1400000000000001 108.9 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.84 -36.24 72.01 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.646 -0.658 . . . . 1.4299999999999999 109.619 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.04 72.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.461 -0.775 . . . . 1.3 109.865 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.4199999999999999 109.626 -179.785 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 1.6100000000000001 109.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -93.22 161.56 14.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 0.96999999999999997 109.461 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.5 m-85 -138.81 -171.59 3.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.59999999999999998 109.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.2 p -154.99 152.67 29.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 1.1000000000000001 109.669 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.76 15.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.389 -0.819 . . . . 1.1000000000000001 109.335 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 13.8 tt0 -86.35 134.94 33.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 109.538 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.413 HD12 ' CB ' ' B' ' 341' ' ' PHE . 27.7 mt -123.73 115.2 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 1.1699999999999999 109.449 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 141.7 46.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 2.79 109.588 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.61 133.75 8.0 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.853 -1.299 . . . . 0.47999999999999998 109.853 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.2 OUTLIER -70.84 -50.66 32.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.32 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.355 -0.841 . . . . 2.21 109.606 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.451 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -45.01 85.7 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 3.5499999999999998 109.925 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 25.9 t80 -55.21 -58.76 6.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.236 -0.915 . . . . 0.52000000000000002 109.744 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -50.98 -34.97 31.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.6799999999999999 109.995 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.63 -52.45 57.31 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.084 -1.01 . . . . 1.1499999999999999 110.496 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CB ' HD12 ' B' ' 332' ' ' ILE . 21.9 m-85 -60.87 -54.46 44.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.108 -0.995 . . . . 0.33000000000000002 109.331 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -50.15 -36.72 31.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.306 -0.871 . . . . 3.02 109.526 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.31 -43.98 97.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 1.75 109.761 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.3 -46.2 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.328 -0.858 . . . . 1.0700000000000001 109.691 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.45 -43.76 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 1.21 109.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -63.54 -39.2 93.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.833 . . . . 1.6899999999999999 109.943 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -53.41 58.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 110.068 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.42 -39.45 90.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.709 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.05 -37.52 82.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.899 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 28.0 tp -64.55 -43.3 94.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 1.1399999999999999 109.857 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -63.51 -45.1 92.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.272 -0.892 . . . . 2.1899999999999999 108.903 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.672 -0.643 . . . . 1.4299999999999999 109.609 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -32.09 72.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.373 -0.829 . . . . 1.3100000000000001 109.824 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 1.3999999999999999 109.646 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.554 -0.535 . . . . 2.1099999999999999 109.554 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -93.17 161.68 14.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.879 . . . . 1.01 109.497 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.5 m-85 -138.94 -171.61 3.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.57999999999999996 109.301 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 9.2 p -155.03 152.64 29.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.087 -1.008 . . . . 1.1599999999999999 109.735 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.3 129.7 15.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 1.1699999999999999 109.448 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 13.9 tt0 -86.36 134.89 33.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.318 -0.864 . . . . 1.8100000000000001 109.617 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' C' ' 341' ' ' PHE . 27.8 mt -123.7 115.37 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -0.925 . . . . 1.1299999999999999 109.352 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.92 141.68 45.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 2.8199999999999998 109.588 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.64 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.848 -1.301 . . . . 0.45000000000000001 109.848 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.2 OUTLIER -70.79 -50.64 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.395 -1.062 . . . . 3.0800000000000001 109.36 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.49 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 2.54 109.651 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.44 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -44.9 86.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.179 -0.951 . . . . 4.1100000000000003 109.936 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 329' ' ' THR . 25.6 t80 -55.25 -58.74 6.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.56999999999999995 109.756 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -50.95 -34.95 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.6599999999999999 110.03 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.72 -52.34 57.59 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.218 -0.926 . . . . 1.29 110.502 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.05 -54.27 46.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.40000000000000002 109.39 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.24 -36.75 32.46 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.314 -0.867 . . . . 3.8500000000000001 109.438 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.28 -44.01 97.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 1.78 109.7 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.35 -46.2 89.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 1.1699999999999999 109.584 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.41 -43.85 88.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.315 -0.866 . . . . 1.2 109.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.43 -39.26 94.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.352 -0.842 . . . . 2.1200000000000001 110.033 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -53.43 58.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 110.096 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.39 -39.52 90.99 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.333 -0.854 . . . . 1.1399999999999999 109.782 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.07 -37.47 82.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 2.0899999999999999 109.883 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 28.0 tp -64.5 -43.36 94.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.3799999999999999 109.881 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.46 -44.97 92.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.386 -0.821 . . . . 2.6800000000000002 109.021 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.75 -36.31 71.9 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.616 -0.677 . . . . 1.3400000000000001 109.696 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.13 72.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.851 . . . . 1.3 109.908 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.12 -0.988 . . . . 1.8 109.633 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.562 -0.533 . . . . 1.6699999999999999 109.562 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -93.16 161.67 14.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 1.01 109.462 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.86 -171.6 3.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.63 109.426 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.1 p -155.0 152.66 29.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.94 . . . . 1.1299999999999999 109.625 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.79 15.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 1.1000000000000001 109.398 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 13.8 tt0 -86.36 135.1 33.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.3700000000000001 109.497 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' D' ' 341' ' ' PHE . 27.9 mt -123.9 115.34 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 109.325 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.81 141.71 46.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.279 -0.888 . . . . 2.77 109.615 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.58 133.76 8.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.837 -1.305 . . . . 0.42999999999999999 109.837 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -70.67 -50.73 33.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.364 -1.08 . . . . 3.1200000000000001 109.381 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.51 90.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.2200000000000002 109.584 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.7 -44.89 86.2 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.157 -0.965 . . . . 3.5 109.933 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' B' ' 329' ' ' THR . 26.0 t80 -55.32 -58.75 6.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.5 109.665 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -50.89 -35.06 30.91 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 1.6899999999999999 109.961 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.61 -52.37 57.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 1.1399999999999999 110.543 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' D' ' 332' ' ' ILE . 21.9 m-85 -61.01 -54.38 45.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.145 -0.972 . . . . 0.32000000000000001 109.325 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.3 -36.75 33.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.393 -0.817 . . . . 2.96 109.438 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.23 -44.08 97.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.212 -0.93 . . . . 1.75 109.706 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.28 -46.13 90.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.712 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.5 -43.75 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 1.22 109.91 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -39.16 93.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.333 -0.854 . . . . 1.73 110.071 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.48 57.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.087 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.36 -39.65 91.38 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.223 -0.923 . . . . 1.1100000000000001 109.728 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.85 -37.58 82.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.232 -0.918 . . . . 1.9099999999999999 109.937 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.54 -43.31 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 1.1699999999999999 109.816 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.2 ttmt -63.6 -45.06 92.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.294 -0.879 . . . . 2.1499999999999999 108.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.57 -36.36 71.59 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.371 0.605 . . . . 1.4399999999999999 109.655 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.09 72.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 1.3 109.876 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.127 -0.983 . . . . 1.3999999999999999 109.653 -179.852 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.225 0.536 . . . . 1.7 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -94.3 157.9 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 1.04 109.541 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.96 -171.78 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.182 -0.949 . . . . 0.65000000000000002 109.435 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.518 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.5 p -153.37 161.02 42.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -0.931 . . . . 1.1399999999999999 109.512 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.7 tp -148.22 131.91 16.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 1.0900000000000001 109.489 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.87 132.39 34.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.893 . . . . 1.3700000000000001 109.583 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 341' ' ' PHE . 36.1 mt -123.8 121.76 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.9 . . . . 1.1499999999999999 109.248 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.16 151.47 41.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.163 -0.961 . . . . 2.79 109.537 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.88 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.76 -1.336 . . . . 0.45000000000000001 109.76 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.7 ttt180 -81.07 -48.54 12.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -1.14 . . . . 3.1600000000000001 109.416 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.71 -46.66 84.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 109.203 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.539 ' NH1' HD12 ' C' ' 348' ' ' LEU . 7.3 tpp180 -62.45 -42.27 99.35 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.233 -0.917 . . . . 3.54 109.322 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 57.1 t80 -54.09 -49.44 69.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.367 -0.833 . . . . 0.5 109.508 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.07 -37.07 52.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 1.6599999999999999 109.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.42 ' HE1' ' HB3' ' A' ' 340' ' ' MET . 14.4 ttp -62.5 -46.69 87.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.242 -0.912 . . . . 1.1499999999999999 109.965 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.437 ' CD2' HG22 ' A' ' 332' ' ' ILE . 24.0 m-85 -61.34 -54.35 44.92 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.223 -0.923 . . . . 0.34000000000000002 109.232 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.5 -34.96 27.12 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.463 -0.773 . . . . 2.9399999999999999 109.415 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 340' ' ' MET . 11.3 tt0 -59.89 -49.86 76.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 1.74 109.578 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.0 -34.6 75.07 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 108.813 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.88 -53.88 53.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.433 -0.792 . . . . 1.22 109.662 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.54 -36.4 80.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 1.72 110.046 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.18 61.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.285 -0.885 . . . . 1.0700000000000001 110.035 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.495 HD12 ' NH1' ' C' ' 337' ' ' ARG . 46.8 mt -61.08 -41.26 96.33 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.359 -0.838 . . . . 1.0800000000000001 109.533 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.64 -35.26 77.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.166 -0.959 . . . . 1.9099999999999999 109.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.06 -52.61 58.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.1499999999999999 109.547 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . 27.1 ttmt -60.84 -43.33 98.45 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.484 -0.76 . . . . 2.1400000000000001 109.421 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.5 -36.24 73.49 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.661 -0.649 . . . . 1.4299999999999999 110.063 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.48 73.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 1.3 109.596 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.924 . . . . 1.4199999999999999 109.55 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.285 0.564 . . . . 1.6100000000000001 109.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.22 157.93 15.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.96999999999999997 109.538 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.98 -171.76 3.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.206 -0.934 . . . . 0.59999999999999998 109.503 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 4.6 p -153.28 161.25 42.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 1.1000000000000001 109.58 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.7 tp -148.52 131.69 16.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.908 . . . . 1.1000000000000001 109.487 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.9 tt0 -85.61 132.45 34.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 1.3600000000000001 109.63 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' B' ' 341' ' ' PHE . 36.0 mt -123.83 121.67 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 1.1699999999999999 109.337 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.14 151.42 41.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 2.79 109.544 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.8 1.9 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.773 -1.331 . . . . 0.47999999999999998 109.773 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.8 ttt180 -80.9 -48.69 12.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.24 -1.153 . . . . 3.2200000000000002 109.36 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.326 -0.859 . . . . 2.21 109.197 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.491 ' NH1' HD12 ' D' ' 348' ' ' LEU . 7.3 tpp180 -62.51 -42.13 99.3 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.341 -0.849 . . . . 3.5499999999999998 109.351 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.21 -49.37 69.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.402 -0.811 . . . . 0.52000000000000002 109.416 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.03 -37.07 52.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 1.6799999999999999 109.82 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' B' ' 340' ' ' MET . 14.4 ttp -62.53 -46.72 87.12 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.964 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.2 m-85 -61.43 -54.32 45.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.233 -0.917 . . . . 0.33000000000000002 109.226 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.41 -35.02 26.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 3.02 109.489 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.84 -49.85 76.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 1.75 109.54 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.14 -34.67 75.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 108.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.74 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 1.21 109.641 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.57 -36.48 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.349 -0.845 . . . . 1.6899999999999999 109.94 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.1 61.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.237 -0.915 . . . . 1.0600000000000001 109.991 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.526 HD12 ' NH1' ' D' ' 337' ' ' ARG . 45.6 mt -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.372 -0.83 . . . . 1.0800000000000001 109.594 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.84 -35.31 77.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.194 -0.941 . . . . 1.9299999999999999 109.822 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.07 -52.56 58.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.191 -0.943 . . . . 1.1399999999999999 109.602 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.83 -43.32 98.42 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.406 -0.809 . . . . 2.1899999999999999 109.459 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.6 -36.11 73.5 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.662 -0.649 . . . . 1.4299999999999999 110.02 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.56 74.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 1.3100000000000001 109.503 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 1.3999999999999999 109.475 179.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.579 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -94.29 157.89 15.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 1.01 109.497 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -139.03 -171.72 3.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.57999999999999996 109.497 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 4.6 p -153.3 161.33 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.91 . . . . 1.1599999999999999 109.497 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.7 tp -148.62 131.75 16.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.347 -0.846 . . . . 1.1699999999999999 109.436 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.9 tt0 -85.79 132.52 34.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 1.8100000000000001 109.547 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' C' ' 341' ' ' PHE . 36.2 mt -123.95 121.69 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 1.1299999999999999 109.256 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.17 151.43 41.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.234 -0.916 . . . . 2.8199999999999998 109.509 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.44 135.79 1.91 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.749 -1.34 . . . . 0.45000000000000001 109.749 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.8 ttt180 -80.95 -48.65 12.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -1.071 . . . . 3.0800000000000001 109.36 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.69 -46.63 84.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.298 -0.877 . . . . 2.54 109.296 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.495 ' NH1' HD12 ' A' ' 348' ' ' LEU . 7.4 tpp180 -62.48 -42.11 99.25 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.249 -0.907 . . . . 4.1100000000000003 109.387 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.518 ' CE1' ' O ' ' A' ' 329' ' ' THR . 56.3 t80 -54.22 -49.32 69.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.56999999999999995 109.433 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.09 -37.12 52.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -0.822 . . . . 1.6599999999999999 109.78 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 14.6 ttp -62.41 -46.91 86.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.236 -0.915 . . . . 1.29 109.906 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.2 m-85 -61.3 -54.29 45.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.133 -0.979 . . . . 0.40000000000000002 109.284 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.47 -35.08 27.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.384 -0.823 . . . . 3.8500000000000001 109.341 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' D' ' 351' ' ' LYS . 11.4 tt0 -59.79 -49.96 75.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.188 -0.945 . . . . 1.78 109.54 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.96 -34.67 75.11 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.177 -0.952 . . . . 1.1699999999999999 108.779 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.73 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.332 -0.855 . . . . 1.2 109.662 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -36.53 81.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 2.1200000000000001 109.961 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.35 -53.33 59.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 110.079 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.539 HD12 ' NH1' ' A' ' 337' ' ' ARG . 46.2 mt -61.06 -41.27 96.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.602 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -35.29 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.008 . . . . 2.0899999999999999 109.877 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.07 -52.65 58.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 1.3799999999999999 109.506 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.43 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 27.1 ttmt -60.81 -43.43 98.19 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.317 -0.864 . . . . 2.6800000000000002 109.413 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.56 -36.1 73.39 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.586 -0.696 . . . . 1.3400000000000001 110.119 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.53 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.163 -0.961 . . . . 1.3 109.544 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 1.8 109.464 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.542 -0.54 . . . . 1.6699999999999999 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -94.04 157.95 15.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 1.01 109.489 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.1 m-85 -138.92 -171.77 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.069 -1.019 . . . . 0.63 109.461 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 4.5 p -153.18 161.27 42.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 109.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.7 tp -148.43 131.7 16.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 1.1000000000000001 109.517 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.9 tt0 -85.69 132.37 34.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.3700000000000001 109.607 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' D' ' 341' ' ' PHE . 36.8 mt -123.84 121.79 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 1.1499999999999999 109.27 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.19 151.45 41.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 2.77 109.601 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.79 1.9 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.793 -1.323 . . . . 0.42999999999999999 109.793 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.7 ttt180 -80.82 -48.71 12.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -1.112 . . . . 3.1200000000000001 109.48 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.77 -46.55 84.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.204 -0.935 . . . . 2.2200000000000002 109.223 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.526 ' NH1' HD12 ' B' ' 348' ' ' LEU . 7.4 tpp180 -62.44 -42.28 99.34 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.194 -0.941 . . . . 3.5 109.276 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.9 t80 -54.11 -49.48 69.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.805 . . . . 0.5 109.422 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -51.97 -37.05 51.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 109.772 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.59 -46.73 86.97 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.076 -1.015 . . . . 1.1399999999999999 109.885 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CD2' HG22 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.41 -54.27 45.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.132 -0.98 . . . . 0.32000000000000001 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -50.5 -35.02 27.32 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.448 -0.782 . . . . 2.96 109.399 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.79 -49.96 75.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 1.75 109.483 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.99 -34.66 75.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.306 -0.871 . . . . 1.0800000000000001 108.764 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.73 -53.93 52.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.37 -0.832 . . . . 1.22 109.674 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.68 -36.39 80.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.83 . . . . 1.73 109.928 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.29 59.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 110.068 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.491 HD12 ' NH1' ' B' ' 337' ' ' ARG . 47.2 mt -61.1 -41.2 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 1.1100000000000001 109.502 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.63 -35.28 77.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.062 -1.024 . . . . 1.9099999999999999 109.879 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.06 -52.72 58.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 1.1699999999999999 109.563 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.421 ' NZ ' ' HG3' ' C' ' 343' ' ' GLU . 27.0 ttmt -60.69 -43.53 97.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.264 -0.897 . . . . 2.1499999999999999 109.424 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.45 -36.1 73.14 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.669 -0.644 . . . . 1.4399999999999999 110.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.51 74.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 1.3 109.529 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.176 -0.952 . . . . 1.3999999999999999 109.448 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.464 -0.569 . . . . 1.7 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.74 155.94 16.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.88 . . . . 1.04 109.581 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.15 -170.21 2.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.65000000000000002 109.49 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 29.0 p -154.2 158.61 40.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 109.554 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.76 129.13 13.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 1.0900000000000001 109.53 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.14 129.49 34.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.62 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.443 HD12 ' CG ' ' A' ' 341' ' ' PHE . 35.1 mt -124.03 121.27 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.07 -1.019 . . . . 1.1499999999999999 109.396 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.68 150.5 41.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.79 109.668 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.67 134.43 6.31 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.83 -1.308 . . . . 0.45000000000000001 109.83 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.488 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.9 ttm180 -79.4 -54.91 5.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 3.1600000000000001 109.331 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.0 -41.81 88.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 2.2200000000000002 109.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH1' HD12 ' C' ' 348' ' ' LEU . 8.2 tpp180 -62.45 -44.21 96.97 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.334 -0.853 . . . . 3.54 109.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' C' ' 329' ' ' THR . 78.4 t80 -55.1 -48.69 73.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.5 109.55 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.99 -36.99 51.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.929 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.1 ttp -62.82 -46.29 88.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.193 -0.942 . . . . 1.1499999999999999 109.925 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.443 ' CG ' HD12 ' A' ' 332' ' ' ILE . 23.1 m-85 -61.26 -50.42 73.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.34000000000000002 109.187 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.21 59.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.431 -0.793 . . . . 2.9399999999999999 109.631 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.92 -49.04 78.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.081 -1.012 . . . . 1.74 109.637 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.7 -33.12 73.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 1.0700000000000001 108.95 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.22 60.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.323 -0.86 . . . . 1.22 109.501 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.13 78.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.364 -0.835 . . . . 1.72 110.075 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.88 67.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.919 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.459 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 53.9 mt -61.8 -43.14 99.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.304 -0.873 . . . . 1.0800000000000001 109.585 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.5 -34.52 72.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.573 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.61 -44.65 89.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 1.1499999999999999 109.452 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.99 -46.84 87.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.1400000000000001 109.102 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.54 -33.48 66.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.666 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.84 73.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 1.3 109.662 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.4199999999999999 109.699 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.314 0.578 . . . . 1.6100000000000001 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -93.87 155.91 16.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.96999999999999997 109.578 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.5 m-85 -139.18 -170.23 2.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.59999999999999998 109.43 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.462 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 29.2 p -154.21 158.6 40.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 1.1000000000000001 109.528 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.7 129.17 13.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.52 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -87.13 129.63 34.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 109.651 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' CG ' ' B' ' 341' ' ' PHE . 34.6 mt -124.17 121.22 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 1.1699999999999999 109.324 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.59 150.51 41.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.79 109.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.6 134.45 6.28 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.797 -1.321 . . . . 0.47999999999999998 109.797 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.9 ttm180 -79.36 -54.97 5.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 3.2200000000000002 109.41 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.88 -42.05 88.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.473 -0.767 . . . . 2.21 109.603 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -62.08 -44.34 96.88 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.244 -0.91 . . . . 3.5499999999999998 109.286 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' D' ' 329' ' ' THR . 78.2 t80 -55.1 -48.69 73.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.491 -0.756 . . . . 0.52000000000000002 109.571 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.01 -36.93 51.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 110.028 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.79 -46.37 88.32 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 109.92 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' B' ' 332' ' ' ILE . 23.6 m-85 -61.1 -50.52 72.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.33000000000000002 109.249 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.14 59.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.383 -0.823 . . . . 3.02 109.644 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.96 -49.12 77.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -0.968 . . . . 1.75 109.61 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.49 -33.31 73.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 108.97 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.94 -53.28 59.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 1.21 109.458 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.18 78.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.362 -0.836 . . . . 1.6899999999999999 109.959 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.19 -51.85 67.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 1.0600000000000001 109.992 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 53.4 mt -61.81 -43.23 99.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.59 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.59 -34.4 72.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.9299999999999999 109.593 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.57 -44.68 89.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.477 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -62.01 -46.8 87.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.461 -0.774 . . . . 2.1899999999999999 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.66 -33.48 66.41 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.464 -0.772 . . . . 1.4299999999999999 109.619 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -46.78 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 1.3100000000000001 109.584 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 1.3999999999999999 109.809 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.544 -0.539 . . . . 2.1099999999999999 109.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.71 155.92 16.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.346 -0.846 . . . . 1.01 109.486 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.8 m-85 -139.03 -170.17 2.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.57999999999999996 109.485 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 29.6 p -154.26 158.57 40.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 1.1599999999999999 109.652 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.68 129.11 13.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.855 . . . . 1.1699999999999999 109.58 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.18 129.5 34.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.869 . . . . 1.8100000000000001 109.664 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.441 HD12 ' CG ' ' C' ' 341' ' ' PHE . 34.5 mt -123.99 121.24 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 1.1299999999999999 109.381 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.61 150.51 41.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 2.8199999999999998 109.707 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.73 134.31 6.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.812 -1.315 . . . . 0.45000000000000001 109.812 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.9 ttm180 -79.29 -55.02 5.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -1.151 . . . . 3.0800000000000001 109.395 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.0 -41.91 88.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 2.54 109.591 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.459 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 8.2 tpp180 -62.02 -44.49 96.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.33 -0.856 . . . . 4.1100000000000003 109.322 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -55.13 -48.66 73.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.808 . . . . 0.56999999999999995 109.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.94 -37.03 51.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.6599999999999999 109.98 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.75 -46.34 88.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.221 -0.924 . . . . 1.29 109.961 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CG ' HD12 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.14 -50.52 72.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.253 -0.904 . . . . 0.40000000000000002 109.26 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.53 -40.22 59.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.395 -0.816 . . . . 3.8500000000000001 109.581 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.93 -49.09 77.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.78 109.61 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.59 -33.22 73.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 1.1699999999999999 108.938 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.16 61.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.435 -0.791 . . . . 1.2 109.515 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.416 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 0.4 OUTLIER -62.49 -35.23 78.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.413 -0.804 . . . . 2.1200000000000001 110.003 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.17 -51.71 68.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 110.052 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.416 HD12 ' NH1' ' A' ' 337' ' ' ARG . 54.3 mt -61.96 -43.1 99.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.547 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.5 -34.49 72.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.368 -0.833 . . . . 2.0899999999999999 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.66 -44.69 89.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.352 -0.843 . . . . 1.3799999999999999 109.403 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.87 -46.92 87.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -0.858 . . . . 2.6800000000000002 109.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.59 -33.44 66.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.582 -0.699 . . . . 1.3400000000000001 109.676 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.88 73.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.378 -0.826 . . . . 1.3 109.612 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.8 109.694 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.336 0.589 . . . . 1.6699999999999999 109.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -93.76 155.92 16.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 1.01 109.575 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.8 m-85 -139.13 -169.96 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.63 109.504 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.517 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 28.8 p -154.39 158.59 40.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.153 -0.967 . . . . 1.1299999999999999 109.482 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -148.72 129.24 13.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 1.1000000000000001 109.496 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.23 129.56 34.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.3700000000000001 109.625 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.44 HD12 ' CG ' ' D' ' 341' ' ' PHE . 34.5 mt -124.04 121.26 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.163 -0.961 . . . . 1.1499999999999999 109.341 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 150.56 41.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 2.77 109.75 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.69 134.36 6.29 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.836 -1.306 . . . . 0.42999999999999999 109.836 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.8 ttm180 -79.41 -54.9 5.48 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.332 -1.099 . . . . 3.1200000000000001 109.376 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -58.92 -41.94 88.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.421 -0.8 . . . . 2.2200000000000002 109.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 8.2 tpp180 -62.25 -44.27 96.93 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.288 -0.883 . . . . 3.5 109.279 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' B' ' 329' ' ' THR . 78.0 t80 -55.11 -48.72 73.23 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.818 . . . . 0.5 109.555 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.85 -37.1 50.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.96 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.74 -46.27 88.85 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.171 -0.956 . . . . 1.1399999999999999 109.98 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.44 ' CG ' HD12 ' D' ' 332' ' ' ILE . 23.3 m-85 -61.24 -50.56 72.55 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.142 -0.974 . . . . 0.32000000000000001 109.142 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -51.52 -40.28 59.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.446 -0.784 . . . . 2.96 109.55 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.8 -49.11 77.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.75 109.654 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.6 -33.24 73.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.224 -0.922 . . . . 1.0800000000000001 109.001 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.89 -53.21 60.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.382 -0.824 . . . . 1.22 109.551 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -34.95 77.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 1.73 110.03 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.81 67.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 109.98 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.78 -43.21 99.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.381 -0.824 . . . . 1.1100000000000001 109.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -59.49 -34.46 72.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.587 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.7 -44.6 89.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 1.1699999999999999 109.527 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 36.5 ttmt -61.88 -46.93 87.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 2.1499999999999999 109.114 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.55 -33.52 66.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.464 -0.773 . . . . 1.4399999999999999 109.679 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.76 73.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 1.3 109.611 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 1.3999999999999999 109.74 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.299 0.571 . . . . 1.7 109.694 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 8.1 m-85 -92.89 159.6 15.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 1.04 109.261 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -139.11 -171.81 3.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.094 -1.004 . . . . 0.65000000000000002 109.756 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 10.8 p -153.14 158.74 42.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 109.511 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' C' ' 342' ' ' ARG . 14.3 tp -147.75 132.52 17.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 1.0900000000000001 109.387 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.94 133.41 33.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 109.423 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' A' ' 341' ' ' PHE . 35.6 mt -123.95 117.72 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 109.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.456 ' CG ' ' NH1' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.82 133.52 43.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.79 109.551 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.419 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 101.7 129.92 6.85 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.763 -1.335 . . . . 0.45000000000000001 109.763 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -77.27 -51.23 11.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 3.1600000000000001 109.232 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.62 -45.83 88.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.414 -0.804 . . . . 2.2200000000000002 109.278 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.535 ' NH1' ' CD1' ' C' ' 348' ' ' LEU . 9.8 tpp180 -62.28 -40.94 97.91 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 3.54 108.909 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' C' ' 329' ' ' THR . 73.3 t80 -55.68 -47.37 76.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.364 -0.835 . . . . 0.5 109.5 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.51 -40.5 59.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 1.6599999999999999 109.824 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.03 -44.95 95.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 110.264 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CD2' HG22 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.33 -54.58 41.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.34000000000000002 109.485 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.435 ' HA ' HD12 ' C' ' 330' ' ' LEU . 6.5 ttm180 -50.09 -37.49 34.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.335 -0.853 . . . . 2.9399999999999999 109.597 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -45.27 95.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.74 109.827 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.78 -43.64 98.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 109.616 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.16 -46.2 86.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 1.22 109.804 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.95 -37.51 87.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 1.72 109.967 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.73 68.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 1.0700000000000001 109.988 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.47 HD13 ' CZ ' ' C' ' 341' ' ' PHE . 69.5 mt -61.27 -42.75 99.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 109.937 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.15 -37.55 80.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.28 -0.888 . . . . 1.9099999999999999 109.636 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.541 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.1 tt -64.75 -41.62 95.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 1.1499999999999999 109.354 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -45.97 91.16 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.769 0.795 . . . . 2.1400000000000001 109.145 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.23 -31.06 61.19 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.706 -0.621 . . . . 1.4299999999999999 109.594 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.21 85.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.855 . . . . 1.3 109.378 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.4199999999999999 109.42 179.778 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.352 0.596 . . . . 1.6100000000000001 109.715 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.61 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.2 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -139.02 -171.75 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.59999999999999998 109.765 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 10.6 p -153.18 158.72 42.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.447 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' D' ' 342' ' ' ARG . 14.3 tp -147.79 132.43 17.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.474 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.1 tt0 -85.86 133.41 33.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.902 . . . . 1.3600000000000001 109.504 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' B' ' 341' ' ' PHE . 35.7 mt -123.96 117.77 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 109.532 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.475 ' CG ' ' NH1' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -73.87 133.56 43.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 2.79 109.449 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.42 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 101.64 129.86 6.83 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.842 -1.303 . . . . 0.47999999999999998 109.842 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -77.21 -51.14 11.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -1.15 . . . . 3.2200000000000002 109.304 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.8 -45.73 89.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.4 -0.812 . . . . 2.21 109.239 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' CD1' ' D' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.84 97.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.359 -0.838 . . . . 3.5499999999999998 108.979 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' D' ' 329' ' ' THR . 73.8 t80 -55.56 -47.57 76.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.43 -0.794 . . . . 0.52000000000000002 109.503 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.4 -40.6 59.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.443 -0.786 . . . . 1.6799999999999999 109.815 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.97 -45.03 95.44 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.297 -0.877 . . . . 1.1499999999999999 110.174 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.548 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.9 m-85 -61.36 -54.39 44.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.996 . . . . 0.33000000000000002 109.528 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' D' ' 330' ' ' LEU . 6.5 ttm180 -50.15 -37.43 34.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.372 -0.83 . . . . 3.02 109.633 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -45.28 95.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 1.75 109.745 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.77 -43.61 98.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 1.0700000000000001 109.614 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.31 -46.16 86.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 1.21 109.776 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.47 87.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.331 -0.855 . . . . 1.6899999999999999 110.022 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.93 -51.59 68.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 1.0600000000000001 110.002 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.52 ' CD1' ' NH1' ' D' ' 337' ' ' ARG . 69.6 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.858 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.43 79.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.895 . . . . 1.9299999999999999 109.813 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.425 ' O ' HD22 ' B' ' 350' ' ' LEU . 1.1 tt -64.66 -41.87 95.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 1.1399999999999999 109.263 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.541 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 0.3 OUTLIER -61.98 -46.23 90.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 109.086 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.12 -30.83 60.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.646 . . . . 1.4299999999999999 109.723 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.28 85.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.863 . . . . 1.3100000000000001 109.362 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 1.3999999999999999 109.489 179.745 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.323 0.582 . . . . 2.1099999999999999 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.02 159.67 15.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.94 . . . . 1.01 109.143 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.1 m-85 -139.11 -171.76 3.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 0.57999999999999996 109.781 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 10.9 p -153.09 158.75 42.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.202 -0.936 . . . . 1.1599999999999999 109.557 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 342' ' ' ARG . 14.2 tp -147.82 132.45 17.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 1.1699999999999999 109.442 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.1 tt0 -85.8 133.36 33.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.867 . . . . 1.8100000000000001 109.495 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.55 HG22 ' CD2' ' C' ' 341' ' ' PHE . 36.0 mt -123.92 117.89 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 1.1299999999999999 109.511 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.464 ' CG ' ' NH1' ' C' ' 333' ' ' ARG . 0.0 OUTLIER -73.95 133.56 43.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 2.8199999999999998 109.505 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.423 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 101.66 129.86 6.83 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.911 -1.275 . . . . 0.45000000000000001 109.911 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -77.2 -51.2 11.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.107 . . . . 3.0800000000000001 109.276 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.7 -45.72 88.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 2.54 109.318 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.456 ' NH1' ' CD1' ' A' ' 348' ' ' LEU . 9.8 tpp180 -62.36 -40.92 97.99 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -0.905 . . . . 4.1100000000000003 108.92 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 73.9 t80 -55.56 -47.47 76.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.56999999999999995 109.534 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.37 -40.66 59.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.835 . . . . 1.6599999999999999 109.877 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.95 -45.09 95.21 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.261 -0.899 . . . . 1.29 110.195 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.55 ' CD2' HG22 ' C' ' 332' ' ' ILE . 21.2 m-85 -61.18 -54.58 42.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.152 -0.967 . . . . 0.40000000000000002 109.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' A' ' 330' ' ' LEU . 6.5 ttm180 -50.17 -37.41 34.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.322 -0.861 . . . . 3.8500000000000001 109.597 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.32 95.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 1.78 109.841 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.81 -43.54 98.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.235 -0.915 . . . . 1.1699999999999999 109.607 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.28 -46.23 86.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.2 109.736 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.45 86.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 2.1200000000000001 109.937 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.62 68.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 1.0700000000000001 110.007 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.535 ' CD1' ' NH1' ' A' ' 337' ' ' ARG . 69.9 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.262 -0.899 . . . . 1.1399999999999999 109.826 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.47 79.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 2.0899999999999999 109.765 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.1 tt -64.72 -41.76 95.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 1.3799999999999999 109.253 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -62.0 -46.13 90.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.423 -0.798 . . . . 2.6800000000000002 109.171 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.21 -30.83 60.75 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.69 -0.631 . . . . 1.3400000000000001 109.657 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.37 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -0.91 . . . . 1.3 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.879 . . . . 1.8 109.505 179.806 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.267 0.556 . . . . 1.6699999999999999 109.643 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.63 15.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -0.828 . . . . 1.01 109.181 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.9 m-85 -139.12 -171.73 3.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.63 109.703 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.0 p -153.16 158.6 42.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 1.1299999999999999 109.569 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' B' ' 342' ' ' ARG . 14.3 tp -147.68 132.54 18.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.302 -0.874 . . . . 1.1000000000000001 109.41 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.9 133.43 33.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 1.3700000000000001 109.539 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' D' ' 341' ' ' PHE . 35.7 mt -124.0 117.71 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.923 . . . . 1.1499999999999999 109.486 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.484 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.79 133.53 43.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.77 109.457 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.427 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 101.58 129.91 6.85 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.889 -1.285 . . . . 0.42999999999999999 109.889 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.583 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -77.24 -51.27 11.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 109.321 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 2.2200000000000002 109.25 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.52 ' NH1' ' CD1' ' B' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.92 97.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.264 -0.898 . . . . 3.5 108.936 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' B' ' 329' ' ' THR . 73.6 t80 -55.61 -47.42 76.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.509 -0.745 . . . . 0.5 109.554 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.45 -40.52 59.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 1.6899999999999999 109.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -61.97 -45.1 95.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.189 -0.944 . . . . 1.1399999999999999 110.2 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.551 ' CD2' HG22 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.21 -54.58 42.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.118 -0.988 . . . . 0.32000000000000001 109.468 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' B' ' 330' ' ' LEU . 6.5 ttm180 -50.17 -37.31 34.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 2.96 109.682 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -45.25 95.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.923 . . . . 1.75 109.796 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.74 -43.74 98.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.966 . . . . 1.0800000000000001 109.552 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.27 -46.16 86.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.324 -0.86 . . . . 1.22 109.789 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.94 -37.48 87.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.215 -0.928 . . . . 1.73 109.95 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.78 -51.63 68.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 1.0700000000000001 110.056 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' B' ' 341' ' ' PHE . 69.2 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.1100000000000001 109.877 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.15 -37.38 79.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.732 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.86 -41.7 95.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 1.1699999999999999 109.337 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -46.05 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 2.1499999999999999 109.144 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.2 -30.91 60.91 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.789 -0.57 . . . . 1.4399999999999999 109.605 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.13 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.383 -0.823 . . . . 1.3 109.312 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 1.3999999999999999 109.441 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.279 -0.637 . . . . 1.7 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.21 158.2 15.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 1.04 109.651 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.1 m-85 -137.4 -166.86 2.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.254 -0.904 . . . . 0.65000000000000002 109.324 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.6 p -151.96 159.26 43.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.1399999999999999 109.418 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.0 tp -146.94 130.34 16.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 1.0900000000000001 109.321 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.16 131.16 34.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 1.3700000000000001 109.471 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.3 mt -123.8 120.53 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 1.1499999999999999 109.675 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 21.1 ttt180 -73.83 147.65 43.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.327 -0.858 . . . . 2.79 109.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 134.99 4.81 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.807 -1.317 . . . . 0.45000000000000001 109.807 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -80.38 -49.78 11.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -1.169 . . . . 3.1600000000000001 109.49 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.03 -47.72 82.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.2200000000000002 109.18 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -38.97 83.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.809 . . . . 3.54 109.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.6 t80 -54.98 -56.39 20.22 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.5 109.542 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.85 -34.73 29.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 109.68 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.41 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 9.3 ttp -63.57 -50.51 69.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.312 -0.867 . . . . 1.1499999999999999 110.047 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.51 -55.2 36.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.16 -0.963 . . . . 0.34000000000000002 109.185 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.71 -33.61 23.57 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.378 -0.826 . . . . 2.9399999999999999 109.394 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 340' ' ' MET . 30.2 tt0 -62.34 -46.71 87.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 1.74 109.576 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.7 mt -61.75 -43.26 99.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.362 -0.836 . . . . 1.0700000000000001 109.443 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -58.14 -48.23 80.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.22 109.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.75 -35.67 80.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.296 -0.878 . . . . 1.72 109.955 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.51 -52.65 64.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 1.0700000000000001 109.784 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.43 -38.71 88.13 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.301 -0.874 . . . . 1.0800000000000001 109.558 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.42 -38.56 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.359 -0.838 . . . . 1.9099999999999999 109.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.7 tt -64.21 -45.41 88.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 1.1499999999999999 109.777 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.48 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -61.07 -39.76 91.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.882 . . . . 2.1400000000000001 108.983 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.61 -33.96 66.75 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.511 -0.743 . . . . 1.4299999999999999 109.648 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.38 87.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 1.3 109.419 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 1.4199999999999999 109.545 179.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.269 -0.641 . . . . 1.6100000000000001 109.269 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 39.8 m-85 -93.3 158.27 15.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.96999999999999997 109.637 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.2 m-85 -137.41 -167.02 2.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.344 -0.848 . . . . 0.59999999999999998 109.374 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -151.88 159.2 43.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 1.1000000000000001 109.447 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.1 tp -146.9 130.3 16.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 1.1000000000000001 109.254 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.11 131.16 34.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 1.3600000000000001 109.433 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.0 mt -123.82 120.44 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 1.1699999999999999 109.66 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -73.71 147.72 43.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.495 -0.753 . . . . 2.79 109.683 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.07 135.01 4.8 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.814 -1.314 . . . . 0.47999999999999998 109.814 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -80.33 -49.83 10.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -1.141 . . . . 3.2200000000000002 109.498 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.06 -47.69 82.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.883 . . . . 2.21 109.169 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -39.02 83.46 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.454 -0.779 . . . . 3.5499999999999998 109.353 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.07 -56.27 21.74 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.383 -0.823 . . . . 0.52000000000000002 109.498 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -50.82 -34.81 29.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 1.6799999999999999 109.696 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 9.3 ttp -63.56 -50.44 69.47 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 110.112 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.64 -55.09 37.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.159 -0.963 . . . . 0.33000000000000002 109.218 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.81 -33.52 23.88 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.382 -0.824 . . . . 3.02 109.383 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' B' ' 340' ' ' MET . 30.2 tt0 -62.31 -46.77 87.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.026 -1.046 . . . . 1.75 109.615 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.64 -43.38 98.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.0700000000000001 109.502 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -58.05 -48.22 80.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.21 109.979 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.82 -35.46 79.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -0.861 . . . . 1.6899999999999999 109.918 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.7 64.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 1.0600000000000001 109.791 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.35 -38.8 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 1.0800000000000001 109.507 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.28 -38.72 84.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 1.9299999999999999 109.851 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.7 tt -64.23 -45.41 88.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 109.785 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.97 -39.71 90.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 2.1899999999999999 109.015 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.64 -34.08 66.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.614 -0.679 . . . . 1.4299999999999999 109.642 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.27 87.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 1.3100000000000001 109.424 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 1.3999999999999999 109.447 179.707 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.34 -0.615 . . . . 2.1099999999999999 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 39.7 m-85 -93.22 158.28 15.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 1.01 109.593 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.2 m-85 -137.32 -166.9 2.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.57999999999999996 109.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.8 p -151.88 159.43 43.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 1.1599999999999999 109.485 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.9 tp -147.08 130.28 16.5 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.26 -0.9 . . . . 1.1699999999999999 109.297 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 36.4 tt0 -85.2 131.14 34.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 1.8100000000000001 109.407 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 29.0 mt -123.84 120.52 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 1.1299999999999999 109.66 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 21.2 ttt180 -73.79 147.8 43.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 2.8199999999999998 109.547 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.1 134.94 4.79 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.805 -1.318 . . . . 0.45000000000000001 109.805 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -80.36 -49.81 10.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.38 -1.071 . . . . 3.0800000000000001 109.491 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.08 -47.59 82.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 2.54 109.227 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -39.02 83.64 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.36 -0.838 . . . . 4.1100000000000003 109.312 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.6 t80 -54.96 -56.32 20.99 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.421 -0.8 . . . . 0.56999999999999995 109.538 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.86 -34.83 29.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.6599999999999999 109.71 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 9.3 ttp -63.45 -50.58 69.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 1.29 110.066 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.46 -55.16 36.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.40000000000000002 109.178 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.83 -33.51 23.97 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.8500000000000001 109.435 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' C' ' 340' ' ' MET . 30.1 tt0 -62.34 -46.73 87.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.16 -0.962 . . . . 1.78 109.53 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.76 -43.31 99.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 1.1699999999999999 109.423 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -58.06 -48.29 80.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.857 . . . . 1.2 109.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.71 -35.55 80.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.95 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.55 -52.79 64.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 1.0700000000000001 109.727 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.32 -38.77 88.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 1.1399999999999999 109.561 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.32 -38.65 84.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.277 -0.889 . . . . 2.0899999999999999 109.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.7 tt -64.23 -45.4 88.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 1.3799999999999999 109.763 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.93 -39.78 90.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 2.6800000000000002 108.928 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.71 -34.05 67.08 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.501 -0.749 . . . . 1.3400000000000001 109.587 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.36 87.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 1.3 109.465 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 1.8 109.529 179.695 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.198 -0.667 . . . . 1.6699999999999999 109.198 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.28 158.28 15.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 1.01 109.619 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 92.3 m-85 -137.41 -167.01 2.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.292 -0.88 . . . . 0.63 109.416 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.8 p -151.82 159.33 43.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 1.1299999999999999 109.432 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.1 tp -147.05 130.3 16.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.382 -0.823 . . . . 1.1000000000000001 109.221 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.08 131.17 34.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 1.3700000000000001 109.423 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.2 mt -123.94 120.48 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 1.1499999999999999 109.593 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 21.3 ttt180 -73.79 147.69 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 2.77 109.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.16 135.07 4.87 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.747 -1.341 . . . . 0.42999999999999999 109.747 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -80.42 -49.81 10.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.272 -1.134 . . . . 3.1200000000000001 109.476 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.13 -47.63 82.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.911 . . . . 2.2200000000000002 109.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -39.11 83.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 3.5 109.243 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.6 t80 -54.89 -56.37 20.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.464 -0.772 . . . . 0.5 109.559 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -50.84 -34.83 29.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.426 -0.796 . . . . 1.6899999999999999 109.701 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 9.3 ttp -63.44 -50.63 68.99 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.269 -0.894 . . . . 1.1399999999999999 110.045 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.47 -55.14 37.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.32000000000000001 109.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.77 -33.57 23.82 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.319 -0.863 . . . . 2.96 109.4 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' D' ' 340' ' ' MET . 30.1 tt0 -62.38 -46.71 87.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 1.75 109.593 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -61.62 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.294 -0.879 . . . . 1.0800000000000001 109.521 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -58.09 -48.32 80.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 1.22 109.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.79 -35.47 79.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -0.864 . . . . 1.73 109.912 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.48 -52.81 63.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 1.0700000000000001 109.799 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.38 -38.64 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 1.1100000000000001 109.582 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.34 -38.77 84.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.3 -0.875 . . . . 1.9099999999999999 109.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.7 tt -64.16 -45.4 88.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 1.1699999999999999 109.765 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -60.9 -39.78 90.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.867 . . . . 2.1499999999999999 109.037 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.8 -33.87 67.11 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.641 -0.662 . . . . 1.4399999999999999 109.616 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.35 87.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.206 -0.934 . . . . 1.3 109.356 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 1.3999999999999999 109.495 179.737 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.588 -0.523 . . . . 1.7 109.588 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 6.1 m-85 -95.77 155.38 16.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 1.04 109.117 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.1 m-85 -139.38 -169.35 2.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.127 -0.983 . . . . 0.65000000000000002 109.859 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.9 p -153.18 161.04 42.88 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 109.3 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.4 tp -149.37 132.29 16.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.21 -0.931 . . . . 1.0900000000000001 109.632 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 27.6 tt0 -85.66 129.05 34.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 1.3700000000000001 109.244 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.88 116.74 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 1.1499999999999999 109.787 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.449 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 44.1 ttt180 -74.07 152.48 39.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.913 . . . . 2.79 109.422 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.72 137.96 6.78 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.762 -1.335 . . . . 0.45000000000000001 109.762 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.6 ttt-85 -82.66 -54.25 5.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -1.132 . . . . 3.1600000000000001 109.463 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.18 -46.37 85.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 2.2200000000000002 109.391 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -43.47 98.82 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.275 -0.891 . . . . 3.54 109.528 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 29.2 t80 -54.77 -57.33 11.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.316 -0.865 . . . . 0.5 109.704 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.56 -34.06 35.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.735 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.82 -49.68 73.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 109.896 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -60.97 -49.95 75.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.34000000000000002 109.152 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.59 -40.11 59.19 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.423 -0.798 . . . . 2.9399999999999999 109.747 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 1.74 109.975 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.8 -43.47 98.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.469 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.11 -49.36 77.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 1.22 109.688 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -32.22 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 1.72 109.833 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.76 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 1.0700000000000001 110.086 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.28 -44.01 97.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 1.0800000000000001 109.74 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.8 -36.63 74.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 109.65 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 18.3 tp -64.65 -42.29 95.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.844 . . . . 1.1499999999999999 109.525 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.0 ttmm -62.43 -43.09 99.65 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.333 -0.854 . . . . 2.1400000000000001 109.272 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -55.99 -36.04 67.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.478 -0.764 . . . . 1.4299999999999999 109.812 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.49 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.3 109.838 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 1.4199999999999999 109.801 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.6 -0.518 . . . . 1.6100000000000001 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -95.86 155.26 16.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.191 -0.943 . . . . 0.96999999999999997 109.216 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 72.6 m-85 -139.29 -169.31 2.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 0.59999999999999998 109.851 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.8 p -153.28 160.86 42.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 1.1000000000000001 109.289 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' D' ' 342' ' ' ARG . 15.4 tp -149.17 132.44 16.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.906 . . . . 1.1000000000000001 109.669 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -85.77 129.01 34.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 1.3600000000000001 109.279 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.85 116.82 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.163 -0.96 . . . . 1.1699999999999999 109.788 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -74.07 152.46 39.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 2.79 109.407 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.66 137.96 6.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.758 -1.337 . . . . 0.47999999999999998 109.758 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.5 ttt-85 -82.69 -54.27 5.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.25 -1.147 . . . . 3.2200000000000002 109.452 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.21 -46.28 86.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 2.21 109.348 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.457 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -61.27 -43.49 98.78 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.331 -0.856 . . . . 3.5499999999999998 109.576 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 29.2 t80 -54.85 -57.41 11.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.352 -0.843 . . . . 0.52000000000000002 109.596 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.0 34.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.6799999999999999 109.701 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.87 -49.64 74.06 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.226 -0.921 . . . . 1.1499999999999999 109.997 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -60.91 -50.0 75.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.202 -0.936 . . . . 0.33000000000000002 109.208 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.62 -40.07 59.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 3.02 109.681 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -43.47 98.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.25 -0.906 . . . . 1.75 109.923 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.85 -43.38 98.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.446 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.381 -0.824 . . . . 1.21 109.645 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -32.2 72.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 1.6899999999999999 109.823 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.64 72.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.143 -0.973 . . . . 1.0600000000000001 110.089 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.28 -44.05 97.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 1.0800000000000001 109.675 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.84 -36.52 74.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 1.9299999999999999 109.53 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 18.3 tp -64.75 -42.31 95.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 1.1399999999999999 109.56 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.0 ttmm -62.38 -43.0 99.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 2.1899999999999999 109.31 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.11 -35.95 67.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.444 -0.785 . . . . 1.4299999999999999 109.821 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.61 77.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.28 -0.888 . . . . 1.3100000000000001 109.809 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.936 . . . . 1.3999999999999999 109.788 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.614 -0.513 . . . . 2.1099999999999999 109.614 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.449 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 6.0 m-85 -95.78 155.36 16.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 1.01 109.235 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 72.1 m-85 -139.39 -169.28 2.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.094 -1.004 . . . . 0.57999999999999996 109.879 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.8 p -153.21 160.98 42.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.38 -0.825 . . . . 1.1599999999999999 109.331 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.4 tp -149.26 132.41 16.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 1.1699999999999999 109.593 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 27.5 tt0 -85.8 129.0 34.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.329 -0.857 . . . . 1.8100000000000001 109.26 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.81 116.72 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 1.1299999999999999 109.708 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 44.4 ttt180 -74.02 152.52 39.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 2.8199999999999998 109.449 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.59 138.0 6.72 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.731 -1.348 . . . . 0.45000000000000001 109.731 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.512 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 1.5 ttt-85 -82.73 -54.21 5.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -1.11 . . . . 3.0800000000000001 109.443 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.29 -46.2 86.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 2.54 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -43.53 98.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.334 -0.853 . . . . 4.1100000000000003 109.489 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 329' ' ' THR . 29.4 t80 -54.67 -57.51 11.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.369 -0.832 . . . . 0.56999999999999995 109.67 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.45 -34.03 33.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.722 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.96 -49.57 74.23 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.278 -0.889 . . . . 1.29 109.962 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -60.91 -50.02 75.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.169 -0.957 . . . . 0.40000000000000002 109.202 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.63 -40.07 59.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 3.8500000000000001 109.661 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -43.47 98.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.174 -0.954 . . . . 1.78 110.027 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.84 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 109.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.17 -49.38 77.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 1.2 109.615 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -32.13 72.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 109.86 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.6 72.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 1.0700000000000001 110.107 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.32 -44.04 97.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.676 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.74 -36.75 74.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 2.0899999999999999 109.495 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.69 -42.31 95.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.3799999999999999 109.474 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -62.38 -43.05 99.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.483 -0.761 . . . . 2.6800000000000002 109.234 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -56.01 -36.03 67.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.555 -0.716 . . . . 1.3400000000000001 109.848 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.4 76.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.3 109.904 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 1.8 109.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.638 -0.505 . . . . 1.6699999999999999 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.8 155.28 16.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 1.01 109.24 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.5 m-85 -139.34 -169.39 2.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.63 109.846 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.9 p -153.1 161.12 42.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 1.1299999999999999 109.333 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' B' ' 329' ' ' THR . 15.4 tp -149.33 132.38 16.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.223 -0.923 . . . . 1.1000000000000001 109.636 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -85.73 129.03 34.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.3700000000000001 109.241 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.9 116.8 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.169 -0.957 . . . . 1.1499999999999999 109.68 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -74.03 152.48 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.77 109.506 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 138.02 6.78 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.756 -1.338 . . . . 0.42999999999999999 109.756 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.5 ttt-85 -82.71 -54.25 5.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -1.123 . . . . 3.1200000000000001 109.504 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.2 -46.45 85.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.841 . . . . 2.2200000000000002 109.347 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -43.52 98.74 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.291 -0.881 . . . . 3.5 109.482 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 29.3 t80 -54.71 -57.44 11.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 0.5 109.618 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.08 34.81 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 1.6899999999999999 109.732 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.74 -49.79 73.62 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.349 -0.844 . . . . 1.1399999999999999 109.927 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -60.73 -50.06 74.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 0.32000000000000001 109.273 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.434 ' HA ' HD23 ' B' ' 330' ' ' LEU . 35.1 ttp180 -51.7 -40.01 59.34 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.375 -0.828 . . . . 2.96 109.707 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -43.46 98.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 1.75 109.944 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.79 -43.5 98.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.0800000000000001 109.353 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.27 -49.28 77.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.264 -0.897 . . . . 1.22 109.567 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -32.1 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.73 109.824 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.7 72.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 110.083 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.457 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 38.0 mt -61.27 -44.11 97.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 1.1100000000000001 109.649 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.83 -36.55 74.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.9099999999999999 109.601 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 18.3 tp -64.66 -42.4 95.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.557 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.41 -43.04 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.283 -0.886 . . . . 2.1499999999999999 109.231 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.04 -36.02 67.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.527 -0.733 . . . . 1.4399999999999999 109.802 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.47 77.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -0.848 . . . . 1.3 109.874 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.3999999999999999 109.837 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.244 0.545 . . . . 1.7 109.708 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 19.3 m-85 -94.3 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 1.04 109.205 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -139.54 -162.74 1.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.496 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 1.2 p -153.93 161.7 41.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.115 -0.991 . . . . 1.1399999999999999 109.647 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' C' ' 329' ' ' THR . 19.0 tp -149.3 134.24 18.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.231 -0.918 . . . . 1.0900000000000001 109.329 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -86.64 134.48 33.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 1.3700000000000001 109.903 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 36.0 mt -123.73 118.97 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.173 -0.954 . . . . 1.1499999999999999 109.192 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 143.85 45.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.191 -0.943 . . . . 2.79 110.194 -179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.447 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 142.21 7.98 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.085 -1.206 . . . . 0.45000000000000001 110.085 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.8 ttt180 -82.23 -51.28 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -1.052 . . . . 3.1600000000000001 109.322 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.78 -44.65 90.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.323 -0.861 . . . . 2.2200000000000002 109.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.437 ' NH1' HD12 ' C' ' 348' ' ' LEU . 7.0 tpp180 -62.73 -41.03 98.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.336 -0.853 . . . . 3.54 109.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.23 -48.68 76.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -0.773 . . . . 0.5 109.453 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.17 -37.33 54.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.26 -0.9 . . . . 1.6599999999999999 109.907 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.18 -49.34 76.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.201 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.88 -53.52 56.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.34000000000000002 109.36 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -50.14 -37.03 32.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 2.9399999999999999 109.612 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.86 -48.95 79.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.17 -0.956 . . . . 1.74 109.506 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.17 -34.59 75.28 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 108.838 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.94 -55.18 38.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.583 -0.698 . . . . 1.22 109.486 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.37 -28.99 70.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 1.72 109.851 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.5 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.934 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.432 HD12 ' NH1' ' C' ' 337' ' ' ARG . 62.8 mt -60.82 -45.0 96.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 1.0800000000000001 109.693 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.53 -33.42 71.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -0.931 . . . . 1.9099999999999999 109.397 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.44 -42.11 92.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.36 -0.837 . . . . 1.1499999999999999 109.29 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.9 OUTLIER -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.491 -0.755 . . . . 2.1400000000000001 109.235 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -32.84 67.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.669 -0.644 . . . . 1.4299999999999999 109.838 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.61 86.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 1.3 109.938 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 1.4199999999999999 109.838 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.328 0.585 . . . . 1.6100000000000001 109.726 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 19.1 m-85 -94.25 158.83 15.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.96999999999999997 109.273 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.5 m-85 -139.58 -162.8 1.38 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.59999999999999998 109.562 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 1.2 p -153.82 161.87 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.951 . . . . 1.1000000000000001 109.622 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.2 tp -149.47 134.24 17.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 1.1000000000000001 109.337 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.53 134.59 33.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 1.3600000000000001 109.938 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 36.0 mt -123.86 118.74 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.226 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.481 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.56 143.85 46.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 2.79 110.285 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.24 142.19 8.06 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.017 -1.233 . . . . 0.47999999999999998 110.017 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.2 8.16 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -1.13 . . . . 3.2200000000000002 109.419 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.89 -44.73 91.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.297 -0.877 . . . . 2.21 109.46 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -41.25 98.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.275 -0.891 . . . . 3.5499999999999998 109.184 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -56.21 -48.69 75.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.534 -0.729 . . . . 0.52000000000000002 109.502 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.03 -37.32 53.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 1.6799999999999999 109.997 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.23 -49.39 75.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.253 -0.904 . . . . 1.1499999999999999 110.158 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.73 -53.5 56.59 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.242 -0.911 . . . . 0.33000000000000002 109.456 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -50.19 -36.99 32.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 3.02 109.557 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.83 -49.04 79.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.75 109.469 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.27 -34.49 75.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 108.846 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -58.95 -55.21 38.12 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.48 -0.762 . . . . 1.21 109.496 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.36 -28.9 70.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.6899999999999999 109.851 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.3 -54.52 39.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.0600000000000001 109.978 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.46 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 62.6 mt -60.81 -44.94 96.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 1.0800000000000001 109.715 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.64 -33.22 71.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 1.9299999999999999 109.37 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 6.5 tp -65.43 -42.29 92.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.1399999999999999 109.242 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -50.97 68.7 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.682 0.754 . . . . 2.1899999999999999 109.271 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -32.89 67.31 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.633 -0.667 . . . . 1.4299999999999999 109.858 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.63 86.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.313 -0.867 . . . . 1.3100000000000001 109.947 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 1.3999999999999999 109.895 -179.683 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.364 0.602 . . . . 2.1099999999999999 109.746 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 19.9 m-85 -94.31 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.214 -0.929 . . . . 1.01 109.157 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.5 m-85 -139.55 -162.85 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.57999999999999996 109.538 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 1.2 p -153.84 161.71 41.83 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.213 -0.93 . . . . 1.1599999999999999 109.67 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 329' ' ' THR . 18.8 tp -149.23 134.27 18.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 1.1699999999999999 109.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -86.58 134.58 33.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.8100000000000001 109.959 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 36.4 mt -123.79 119.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.843 . . . . 1.1299999999999999 109.14 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.79 143.87 45.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.905 . . . . 2.8199999999999998 110.236 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.447 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.23 142.17 8.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.001 -1.24 . . . . 0.45000000000000001 110.001 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.21 8.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -1.047 . . . . 3.0800000000000001 109.358 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.86 -44.61 91.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.366 -0.833 . . . . 2.54 109.551 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.432 ' NH1' HD12 ' A' ' 348' ' ' LEU . 7.0 tpp180 -62.59 -41.23 98.83 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 4.1100000000000003 109.097 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.21 -48.68 75.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.56999999999999995 109.473 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.19 -37.2 54.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.397 -0.814 . . . . 1.6599999999999999 109.935 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.23 -49.3 76.28 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.27 -0.894 . . . . 1.29 110.229 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -60.96 -53.55 55.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.256 -0.902 . . . . 0.40000000000000002 109.346 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.01 -37.11 31.35 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.451 -0.78 . . . . 3.8500000000000001 109.606 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 1.78 109.56 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.21 -34.62 75.39 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 108.779 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.81 -55.27 37.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.4 -0.813 . . . . 1.2 109.615 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.3 -29.01 70.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 2.1200000000000001 109.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.38 41.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 110.042 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.437 HD12 ' NH1' ' A' ' 337' ' ' ARG . 62.1 mt -60.84 -44.98 96.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 109.719 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.55 -33.37 71.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.465 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.37 -42.18 93.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.361 -0.837 . . . . 1.3799999999999999 109.274 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -50.86 68.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.511 -0.743 . . . . 2.6800000000000002 109.234 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -32.74 67.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.676 -0.64 . . . . 1.3400000000000001 109.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.6 85.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.297 -0.877 . . . . 1.3 109.892 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.8 109.921 -179.7 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.281 0.562 . . . . 1.6699999999999999 109.749 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.481 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 19.4 m-85 -94.26 159.04 15.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.01 109.214 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.5 m-85 -139.8 -162.85 1.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.201 -0.937 . . . . 0.63 109.449 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 1.2 p -153.85 161.86 41.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.15 -0.969 . . . . 1.1299999999999999 109.64 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.0 tp -149.38 134.21 17.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.416 -0.803 . . . . 1.1000000000000001 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.6 134.69 33.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 1.3700000000000001 109.926 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 36.6 mt -123.93 119.05 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.1499999999999999 109.068 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 143.81 45.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 2.77 110.161 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.22 142.21 8.06 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.976 -1.25 . . . . 0.42999999999999999 109.976 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.8 ttt180 -82.24 -51.15 8.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.357 -1.084 . . . . 3.1200000000000001 109.408 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.88 -44.62 91.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.83 . . . . 2.2200000000000002 109.435 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.46 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.61 -41.2 98.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.3 -0.875 . . . . 3.5 109.186 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -56.23 -48.71 75.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.351 -0.843 . . . . 0.5 109.452 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.06 -37.33 53.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.394 -0.816 . . . . 1.6899999999999999 109.948 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.27 -49.45 75.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.935 . . . . 1.1399999999999999 110.105 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.75 -53.56 55.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.32000000000000001 109.443 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.05 -37.1 31.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.358 -0.839 . . . . 2.96 109.608 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.77 -49.0 79.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.131 -0.981 . . . . 1.75 109.602 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.26 -34.45 75.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 108.779 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -58.81 -55.34 36.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.843 . . . . 1.22 109.574 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.23 -29.05 70.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.73 109.834 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.38 41.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 109.948 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.477 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 62.1 mt -60.8 -44.86 96.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 1.1100000000000001 109.83 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.57 -33.45 71.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.108 -0.995 . . . . 1.9099999999999999 109.359 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.39 -42.19 92.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 1.1699999999999999 109.228 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -51.04 68.24 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.546 -0.721 . . . . 2.1499999999999999 109.263 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -32.86 67.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.688 -0.632 . . . . 1.4399999999999999 109.874 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.67 86.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.3 109.898 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.3999999999999999 109.865 -179.539 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.499 -0.556 . . . . 1.7 109.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -94.76 157.95 15.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 1.04 109.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 65.3 m-85 -139.84 -169.18 2.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.241 -0.912 . . . . 0.65000000000000002 109.43 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.5 p -153.44 159.78 42.43 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.178 -0.951 . . . . 1.1399999999999999 109.658 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.44 132.12 16.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.0900000000000001 109.347 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.26 128.25 34.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 1.3700000000000001 109.469 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -123.91 115.42 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 1.1499999999999999 109.203 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.489 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.8 OUTLIER -73.0 153.18 41.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 2.79 109.665 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 87.28 128.47 2.62 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.698 -1.361 . . . . 0.45000000000000001 109.698 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.84 14.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.348 -1.089 . . . . 3.1600000000000001 109.549 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.44 -48.32 81.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.368 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.27 96.34 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.356 -0.84 . . . . 3.54 109.624 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.3 t80 -54.46 -56.33 19.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 0.5 109.506 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.33 -34.57 34.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 109.79 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.2 -50.47 70.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.308 -0.87 . . . . 1.1499999999999999 109.99 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.63 -49.43 77.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.34000000000000002 109.221 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -50.94 -39.66 55.39 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 2.9399999999999999 109.462 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.57 -42.1 98.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.353 -0.842 . . . . 1.74 109.753 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.11 -46.23 89.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 109.593 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -57.58 -46.12 84.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.22 109.486 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.39 -33.03 73.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 1.72 109.517 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.92 63.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 109.624 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.42 -40.94 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 1.0800000000000001 109.358 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.12 -35.26 73.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.185 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.24 -41.06 97.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.483 -0.76 . . . . 1.1499999999999999 109.112 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -52.11 65.3 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.48 -0.763 . . . . 2.1400000000000001 109.004 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -29.4 60.95 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.584 -0.697 . . . . 1.4299999999999999 109.631 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.5 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.284 -0.885 . . . . 1.3 109.476 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.28 -0.888 . . . . 1.4199999999999999 109.326 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.384 -0.598 . . . . 1.6100000000000001 109.384 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.9 157.83 15.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.188 -0.945 . . . . 0.96999999999999997 109.56 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 65.3 m-85 -139.67 -169.11 2.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.313 -0.867 . . . . 0.59999999999999998 109.42 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.413 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.9 p -153.49 159.97 42.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.25 -0.906 . . . . 1.1000000000000001 109.588 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.9 tp -148.7 131.89 16.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.359 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.02 128.19 34.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.838 . . . . 1.3600000000000001 109.48 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.84 115.49 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.932 . . . . 1.1699999999999999 109.211 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.8 OUTLIER -73.02 153.15 41.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.218 -0.926 . . . . 2.79 109.646 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 87.19 128.2 2.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.712 -1.355 . . . . 0.47999999999999998 109.712 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 20.6 ttt180 -75.01 -50.99 14.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.164 -1.198 . . . . 3.2200000000000002 109.486 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.41 -48.33 81.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.145 -0.972 . . . . 2.21 109.354 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.29 96.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.257 -0.902 . . . . 3.5499999999999998 109.568 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.2 t80 -54.55 -56.26 20.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.38 -0.825 . . . . 0.52000000000000002 109.554 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -51.27 -34.57 33.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 1.6799999999999999 109.927 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.08 -50.6 69.91 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.222 -0.924 . . . . 1.1499999999999999 110.023 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.68 -49.35 77.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.33000000000000002 109.21 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.02 -39.63 56.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.422 -0.799 . . . . 3.02 109.402 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.51 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 1.75 109.79 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.26 -46.18 89.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.498 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.55 -46.14 84.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 1.21 109.454 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 109.507 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.94 63.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 1.0600000000000001 109.727 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.35 -41.01 96.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 1.0800000000000001 109.383 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.18 72.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.975 . . . . 1.9299999999999999 109.265 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.35 -40.99 96.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 1.1399999999999999 109.095 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -51.84 66.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.751 0.786 . . . . 2.1899999999999999 108.976 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -29.48 61.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.575 -0.703 . . . . 1.4299999999999999 109.547 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.64 95.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 1.3100000000000001 109.556 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 1.3999999999999999 109.353 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.52 -0.548 . . . . 2.1099999999999999 109.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -94.79 157.8 15.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 1.01 109.546 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.8 m-85 -139.77 -169.1 2.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.57999999999999996 109.391 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.1 p -153.47 160.1 42.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 1.1599999999999999 109.563 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.8 tp -148.79 132.08 16.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 1.1699999999999999 109.256 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -86.2 128.21 34.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 1.8100000000000001 109.44 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.83 115.44 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 1.1299999999999999 109.339 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.497 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.8 OUTLIER -72.96 153.31 41.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 2.8199999999999998 109.594 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 87.08 128.48 2.55 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.624 -1.391 . . . . 0.45000000000000001 109.624 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 20.7 ttt180 -75.33 -50.91 14.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.166 -1.196 . . . . 3.0800000000000001 109.478 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.28 -48.58 80.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.937 . . . . 2.54 109.382 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.93 -41.33 95.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.309 -0.869 . . . . 4.1100000000000003 109.597 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.3 t80 -54.4 -56.29 20.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.365 -0.834 . . . . 0.56999999999999995 109.58 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.43 -34.5 35.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.6599999999999999 109.892 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.06 -50.56 70.14 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.104 -0.997 . . . . 1.29 110.039 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.72 -49.34 77.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.925 . . . . 0.40000000000000002 109.212 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.09 -39.59 56.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.817 . . . . 3.8500000000000001 109.401 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.47 -42.24 98.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.211 -0.93 . . . . 1.78 109.667 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.17 -46.21 89.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.268 -0.895 . . . . 1.1699999999999999 109.535 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.63 -46.12 84.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 1.2 109.418 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.33 -33.03 73.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.306 -0.871 . . . . 2.1200000000000001 109.613 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.84 63.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 109.694 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.3 -41.09 96.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 1.1399999999999999 109.371 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.07 -35.26 73.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 2.0899999999999999 109.141 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.25 -41.06 97.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 1.3799999999999999 109.032 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -52.01 65.66 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.92 -0.771 . . . . 2.6800000000000002 108.92 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -29.49 61.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.674 -0.641 . . . . 1.3400000000000001 109.628 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.36 94.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 1.3 109.555 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 1.8 109.286 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.533 -0.543 . . . . 1.6699999999999999 109.533 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.9 157.75 15.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.226 -0.921 . . . . 1.01 109.566 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.8 m-85 -139.61 -169.09 2.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.362 -0.836 . . . . 0.63 109.408 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 63.8 p -153.49 159.86 42.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 1.1299999999999999 109.61 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.9 tp -148.56 132.11 16.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.1000000000000001 109.342 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.28 128.11 34.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 1.3700000000000001 109.523 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.69 115.41 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.336 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.8 OUTLIER -73.13 153.24 40.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.874 . . . . 2.77 109.55 -179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 87.31 128.45 2.63 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.666 -1.374 . . . . 0.42999999999999999 109.666 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.85 14.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -1.118 . . . . 3.1200000000000001 109.533 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -48.19 81.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.4 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.365 -0.834 . . . . 3.5 109.513 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -54.45 -56.26 20.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.5 109.522 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.48 -34.52 36.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 1.6899999999999999 109.799 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.02 -50.52 70.38 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 110.068 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.75 -49.26 78.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.957 . . . . 0.32000000000000001 109.187 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.13 -39.67 56.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.402 -0.811 . . . . 2.96 109.355 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.43 -42.18 98.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 1.75 109.801 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.22 -46.21 89.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 109.507 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.52 -46.23 84.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.36 -0.838 . . . . 1.22 109.414 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.29 -33.14 74.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.408 -0.808 . . . . 1.73 109.597 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.43 -52.83 63.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.837 . . . . 1.0700000000000001 109.663 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.47 -40.92 96.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 1.1100000000000001 109.35 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 1.9099999999999999 109.203 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.26 -40.99 97.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.298 -0.876 . . . . 1.1699999999999999 109.08 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -51.93 65.87 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.93 -0.767 . . . . 2.1499999999999999 108.93 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.38 61.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.621 -0.675 . . . . 1.4399999999999999 109.645 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.5 95.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 1.3 109.558 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.356 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.296 0.569 . . . . 1.7 109.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -94.95 155.68 16.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 1.04 109.041 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.0 m-85 -140.2 -170.42 2.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.977 -1.077 . . . . 0.65000000000000002 110.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -152.75 159.44 43.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.307 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -148.47 136.92 21.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 1.0900000000000001 109.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 128.72 35.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.311 -0.868 . . . . 1.3700000000000001 109.191 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.453 HG22 ' CD2' ' A' ' 341' ' ' PHE . 47.6 mt -123.97 115.52 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.012 -1.055 . . . . 1.1499999999999999 109.558 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 153.0 40.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.299 -0.876 . . . . 2.79 109.679 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.87 7.05 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.835 -1.306 . . . . 0.45000000000000001 109.835 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.1 ttp180 -81.01 -58.53 3.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -1.113 . . . . 3.1600000000000001 109.437 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.21 -42.88 87.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.304 -0.872 . . . . 2.2200000000000002 109.345 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.5 -42.73 96.93 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.357 -0.839 . . . . 3.54 109.294 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.2 t80 -55.4 -56.79 16.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.5 109.728 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.98 -34.26 28.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.819 . . . . 1.6599999999999999 110.08 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.31 -48.24 78.88 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.144 -0.972 . . . . 1.1499999999999999 110.004 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD2' HG22 ' A' ' 332' ' ' ILE . 22.7 m-85 -61.18 -50.35 73.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.169 -0.957 . . . . 0.34000000000000002 109.377 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.22 -40.84 59.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.899 . . . . 2.9399999999999999 109.692 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.66 98.48 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 1.74 109.983 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.2 -42.79 99.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 1.0700000000000001 109.383 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.91 -50.54 72.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.88 . . . . 1.22 109.65 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.282 -0.886 . . . . 1.72 109.887 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 110.02 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.38 -44.47 97.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 1.0800000000000001 109.757 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.95 -36.42 74.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.9099999999999999 109.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.55 -41.92 96.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 1.1499999999999999 109.544 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.43 -44.52 96.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.272 -0.893 . . . . 2.1400000000000001 109.047 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.98 -33.07 64.48 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.456 -0.777 . . . . 1.4299999999999999 109.559 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.04 85.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 1.3 109.544 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 1.4199999999999999 109.592 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.254 0.55 . . . . 1.6100000000000001 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.96 155.63 16.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.894 . . . . 0.96999999999999997 109.099 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.1 m-85 -140.12 -170.47 2.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.013 -1.055 . . . . 0.59999999999999998 109.996 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 66.9 p -152.72 159.55 43.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.795 . . . . 1.1000000000000001 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.5 tp -148.57 136.82 21.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.048 -1.032 . . . . 1.1000000000000001 109.693 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.49 128.7 34.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.897 . . . . 1.3600000000000001 109.31 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' B' ' 341' ' ' PHE . 47.0 mt -123.9 115.54 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.997 . . . . 1.1699999999999999 109.517 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 153.0 40.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 2.79 109.659 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.96 7.06 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.827 -1.309 . . . . 0.47999999999999998 109.827 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.2 ttp180 -81.01 -58.62 3.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 3.2200000000000002 109.374 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.1 -42.95 86.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.36 -0.837 . . . . 2.21 109.358 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.42 -42.8 96.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.349 -0.845 . . . . 3.5499999999999998 109.391 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.3 t80 -55.33 -56.8 15.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.466 -0.771 . . . . 0.52000000000000002 109.711 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.05 -34.3 29.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.6799999999999999 109.934 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.36 -48.17 79.06 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.104 -0.998 . . . . 1.1499999999999999 110.033 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.45 ' CD2' HG22 ' B' ' 332' ' ' ILE . 22.8 m-85 -61.21 -50.51 72.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.33000000000000002 109.247 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.07 -40.83 59.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.375 -0.828 . . . . 3.02 109.749 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.82 -42.76 98.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 1.75 109.976 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.17 -42.73 99.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.984 . . . . 1.0700000000000001 109.487 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.92 -50.48 73.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.456 -0.777 . . . . 1.21 109.715 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.09 -32.47 73.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.35 -0.843 . . . . 1.6899999999999999 109.865 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.76 76.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 1.0600000000000001 109.998 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.41 -44.6 96.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.832 . . . . 1.0800000000000001 109.692 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.5 74.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 1.9299999999999999 109.633 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.35 -42.11 96.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 1.1399999999999999 109.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.27 -44.6 96.97 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 2.1899999999999999 109.092 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.03 -33.03 64.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.504 -0.747 . . . . 1.4299999999999999 109.531 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.17 86.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 1.3100000000000001 109.465 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.577 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.245 0.545 . . . . 2.1099999999999999 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.02 155.57 16.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.01 109.033 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -140.1 -170.39 2.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.57999999999999996 110.051 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.2 p -152.75 159.46 43.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.37 -0.831 . . . . 1.1599999999999999 109.266 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.5 tp -148.55 136.81 21.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 1.1699999999999999 109.646 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 128.63 34.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.8100000000000001 109.299 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.445 HG22 ' CD2' ' C' ' 341' ' ' PHE . 47.4 mt -123.8 115.65 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.096 -1.002 . . . . 1.1299999999999999 109.527 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 152.98 40.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.835 . . . . 2.8199999999999998 109.643 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 137.85 7.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.842 -1.303 . . . . 0.45000000000000001 109.842 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.55 3.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 3.0800000000000001 109.387 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -42.89 87.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 2.54 109.348 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.4 -42.76 96.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.312 -0.868 . . . . 4.1100000000000003 109.4 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.6 t80 -55.34 -56.86 15.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.422 -0.799 . . . . 0.56999999999999995 109.753 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.99 -34.24 28.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 1.6599999999999999 110.029 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.39 -48.18 78.93 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.144 -0.972 . . . . 1.29 109.983 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' C' ' 332' ' ' ILE . 22.8 m-85 -61.14 -50.48 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.279 -0.888 . . . . 0.40000000000000002 109.296 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -51.12 -40.78 59.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 3.8500000000000001 109.787 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.75 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.15 -0.969 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.225 -0.922 . . . . 1.1699999999999999 109.461 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.97 -50.5 73.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.825 . . . . 1.2 109.71 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -62.24 -32.27 72.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 2.1200000000000001 109.833 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.92 75.63 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.259 -0.9 . . . . 1.0700000000000001 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.3 -44.52 97.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.928 . . . . 1.1399999999999999 109.719 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.79 -36.57 74.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.91 . . . . 2.0899999999999999 109.608 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.47 -41.88 96.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.3799999999999999 109.558 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 2.6800000000000002 108.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.97 -33.02 64.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.419 -0.8 . . . . 1.3400000000000001 109.603 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.14 85.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.292 -0.88 . . . . 1.3 109.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.8 109.644 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.262 0.553 . . . . 1.6699999999999999 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.0 155.62 16.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 1.01 109.055 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -140.13 -170.4 2.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.63 110.012 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 66.8 p -152.73 159.64 43.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.346 -0.846 . . . . 1.1299999999999999 109.171 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' B' ' 329' ' ' THR . 13.6 tp -148.71 136.92 21.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 1.1000000000000001 109.645 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.69 128.75 35.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.393 -0.817 . . . . 1.3700000000000001 109.228 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.443 HG22 ' CD2' ' D' ' 341' ' ' PHE . 47.3 mt -123.91 115.55 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 1.1499999999999999 109.524 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 152.99 40.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 2.77 109.63 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.24 137.9 7.04 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.783 -1.327 . . . . 0.42999999999999999 109.783 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.57 3.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.429 -1.042 . . . . 3.1200000000000001 109.39 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.09 -43.15 86.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 2.2200000000000002 109.277 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.32 -42.78 96.32 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.304 -0.873 . . . . 3.5 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -55.42 -56.85 15.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 0.5 109.647 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.9 -34.38 28.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.835 . . . . 1.6899999999999999 109.998 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.26 -48.22 79.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.043 -1.035 . . . . 1.1399999999999999 110.094 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.2 m-85 -61.02 -50.57 72.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.927 . . . . 0.32000000000000001 109.381 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.17 -40.77 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.393 -0.817 . . . . 2.96 109.74 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.85 -42.64 98.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 1.75 110.023 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.24 -42.69 99.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.466 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.88 -50.63 72.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.33 -0.856 . . . . 1.22 109.654 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.13 -32.29 72.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.195 -0.941 . . . . 1.73 109.913 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 109.954 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.38 -44.63 96.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 1.1100000000000001 109.718 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.45 74.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 1.9099999999999999 109.594 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.42 -42.11 96.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 1.1699999999999999 109.491 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.3 -44.54 97.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.342 -0.849 . . . . 2.1499999999999999 109.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.05 -32.94 64.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.481 -0.762 . . . . 1.4399999999999999 109.582 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.09 85.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.219 -0.926 . . . . 1.3 109.46 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.243 -0.91 . . . . 1.3999999999999999 109.558 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.277 0.56 . . . . 1.7 109.556 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -98.55 150.47 21.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 1.04 109.789 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.9 m-85 -139.73 137.52 35.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.883 . . . . 0.65000000000000002 108.935 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.54 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 75.8 p -93.06 166.77 12.19 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 110.269 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 25.2 tp -147.03 131.83 17.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.424 -0.798 . . . . 1.0900000000000001 109.722 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.44 ' OE1' HG21 ' C' ' 329' ' ' THR . 6.4 tp-100 -87.75 123.85 32.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 1.3700000000000001 109.359 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.45 116.86 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 1.1499999999999999 109.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -74.02 150.87 40.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 2.79 109.416 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.15 133.24 6.84 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.801 -1.319 . . . . 0.45000000000000001 109.801 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.3 ttt180 -82.95 -54.7 4.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.274 -1.133 . . . . 3.1600000000000001 109.512 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.89 -45.77 85.93 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 2.2200000000000002 109.291 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.3 -38.7 84.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.339 -0.851 . . . . 3.54 109.24 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' C' ' 329' ' ' THR . 77.9 t80 -54.75 -55.44 29.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.421 -0.799 . . . . 0.5 109.685 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.66 -34.8 39.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.374 -0.829 . . . . 1.6599999999999999 109.859 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.07 -47.86 82.78 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.139 -0.976 . . . . 1.1499999999999999 109.744 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.22 -44.82 96.66 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -0.968 . . . . 0.34000000000000002 109.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -53.15 -42.01 65.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.352 -0.842 . . . . 2.9399999999999999 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.32 -49.62 77.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.95 . . . . 1.74 109.979 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.32 -33.1 71.92 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.113 -0.992 . . . . 1.0700000000000001 108.85 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.03 -57.07 14.44 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.615 -0.678 . . . . 1.22 109.754 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.12 -26.55 68.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 1.72 110.15 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -60.84 3.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 110.284 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.18 -38.34 82.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 1.0800000000000001 109.554 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.72 -36.09 75.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.47 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.411 ' HA ' HD11 ' A' ' 350' ' ' LEU . 38.1 tp -65.01 -40.83 95.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -50.73 70.93 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.847 -0.797 . . . . 2.1400000000000001 108.847 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -57.16 -32.85 66.83 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.666 -0.646 . . . . 1.4299999999999999 109.764 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.913 . . . . 1.3 109.805 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 1.4199999999999999 109.82 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.295 0.569 . . . . 1.6100000000000001 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.69 150.47 21.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.96999999999999997 109.737 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -139.68 137.7 35.42 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.833 -0.803 . . . . 0.59999999999999998 108.833 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.557 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.7 p -93.15 166.74 12.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.165 -0.959 . . . . 1.1000000000000001 110.117 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 25.0 tp -147.03 131.73 17.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.415 -0.803 . . . . 1.1000000000000001 109.823 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.457 ' OE1' HG21 ' D' ' 329' ' ' THR . 6.4 tp-100 -87.66 123.89 32.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.3600000000000001 109.361 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 18.9 mt -124.58 116.94 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 1.1699999999999999 109.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.494 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.4 OUTLIER -74.07 150.99 40.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.199 -0.938 . . . . 2.79 109.405 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.17 133.26 6.85 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.808 -1.317 . . . . 0.47999999999999998 109.808 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.3 ttt180 -83.14 -54.56 4.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.419 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.89 -45.81 85.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 2.21 109.269 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -38.9 84.56 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 3.5499999999999998 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' D' ' 329' ' ' THR . 77.9 t80 -54.69 -55.43 29.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.381 -0.824 . . . . 0.52000000000000002 109.615 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.57 -34.91 38.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.391 -0.818 . . . . 1.6799999999999999 109.928 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.93 -47.77 83.43 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.228 -0.92 . . . . 1.1499999999999999 109.883 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.38 -44.7 96.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.33000000000000002 109.145 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -53.32 -41.9 66.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.541 -0.724 . . . . 3.02 109.951 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.23 -49.71 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 1.75 109.986 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.27 -33.12 71.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.205 -0.934 . . . . 1.0700000000000001 108.838 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.98 -57.23 13.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.523 -0.735 . . . . 1.21 109.672 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.03 -26.56 68.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 1.6899999999999999 110.162 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -60.9 3.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.197 -0.939 . . . . 1.0600000000000001 110.274 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 15.6 mt -60.31 -38.2 82.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 1.0800000000000001 109.532 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.73 -36.02 75.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.224 -0.923 . . . . 1.9299999999999999 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.98 -40.92 95.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.387 -0.821 . . . . 1.1399999999999999 109.315 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -50.53 71.73 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.743 0.782 . . . . 2.1899999999999999 108.934 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -57.45 -32.73 67.22 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.71 -0.619 . . . . 1.4299999999999999 109.811 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.3100000000000001 109.756 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 1.3999999999999999 109.804 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.244 0.545 . . . . 2.1099999999999999 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.48 150.52 21.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 1.01 109.79 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.6 m-85 -139.79 137.56 35.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.57999999999999996 108.904 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.546 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 75.9 p -92.94 166.83 12.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -0.955 . . . . 1.1599999999999999 110.171 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.8 tp -147.05 131.67 17.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.404 -0.81 . . . . 1.1699999999999999 109.86 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.434 ' OE1' HG21 ' A' ' 329' ' ' THR . 6.4 tp-100 -87.68 123.81 32.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.188 -0.945 . . . . 1.8100000000000001 109.459 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.47 116.98 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.1299999999999999 109.942 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -74.14 150.98 40.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.172 -0.955 . . . . 2.8199999999999998 109.396 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.11 133.19 6.8 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.805 -1.318 . . . . 0.45000000000000001 109.805 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttt180 -83.0 -54.61 4.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 3.0800000000000001 109.511 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.92 -45.71 86.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -0.905 . . . . 2.54 109.282 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.29 -38.78 84.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.463 -0.773 . . . . 4.1100000000000003 109.277 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -54.81 -55.25 32.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.476 -0.765 . . . . 0.56999999999999995 109.69 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.72 -34.9 41.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.405 -0.809 . . . . 1.6599999999999999 109.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.92 -47.88 82.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.185 -0.947 . . . . 1.29 109.844 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.33 -44.7 96.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.40000000000000002 109.132 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -53.17 -41.89 65.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.396 -0.815 . . . . 3.8500000000000001 110.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.38 -49.65 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.18 -0.95 . . . . 1.78 109.94 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.34 -33.1 71.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 108.824 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.1 -57.05 14.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.534 -0.729 . . . . 1.2 109.682 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.06 -26.61 68.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 2.1200000000000001 110.129 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.82 -60.93 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.06 -1.025 . . . . 1.0700000000000001 110.128 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.22 -38.2 82.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 1.1399999999999999 109.519 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.82 -36.06 76.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 2.0899999999999999 109.358 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.512 ' CD1' ' NE2' ' D' ' 354' ' ' GLN . 38.1 tp -65.05 -40.75 95.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 1.3799999999999999 109.38 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -50.69 71.01 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.877 -0.786 . . . . 2.6800000000000002 108.877 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.19 -32.85 66.88 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.3400000000000001 109.803 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.53 85.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.891 . . . . 1.3 109.798 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD12 ' D' ' 350' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 1.8 109.801 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.286 0.565 . . . . 1.6699999999999999 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -98.57 150.49 21.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.01 109.787 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.7 m-85 -139.78 137.51 35.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.63 108.923 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.581 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.6 p -93.11 166.55 12.29 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.217 -0.927 . . . . 1.1299999999999999 110.198 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 25.0 tp -146.82 131.79 18.17 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.401 -0.812 . . . . 1.1000000000000001 109.831 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.442 ' OE1' HG21 ' B' ' 329' ' ' THR . 6.4 tp-100 -87.63 123.94 33.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 1.3700000000000001 109.379 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.59 116.99 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.33 -0.857 . . . . 1.1499999999999999 109.806 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.482 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.4 OUTLIER -74.15 150.87 40.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.97 . . . . 2.77 109.341 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.21 133.22 6.85 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.772 -1.331 . . . . 0.42999999999999999 109.772 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.3 ttt180 -82.94 -54.76 4.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.367 -1.078 . . . . 3.1200000000000001 109.433 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.9 -45.85 85.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.321 -0.862 . . . . 2.2200000000000002 109.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.08 -38.84 84.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.299 -0.876 . . . . 3.5 109.293 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' B' ' 329' ' ' THR . 77.7 t80 -54.72 -55.4 30.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.421 -0.799 . . . . 0.5 109.665 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.63 -34.9 39.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.362 -0.836 . . . . 1.6899999999999999 109.879 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.06 -47.71 83.5 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 109.755 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.32 -44.82 96.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.245 -0.91 . . . . 0.32000000000000001 109.178 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -53.11 -42.02 65.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 2.96 109.983 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.36 -49.6 77.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.209 -0.932 . . . . 1.75 109.896 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.3 -33.06 71.82 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.131 -0.98 . . . . 1.0800000000000001 108.849 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.13 -57.1 14.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.525 -0.735 . . . . 1.22 109.618 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.13 -26.47 68.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 1.73 110.144 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.9 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 110.179 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.14 -38.33 82.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 1.1100000000000001 109.558 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.65 -36.09 75.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.9099999999999999 109.528 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 37.9 tp -64.96 -40.92 95.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.164 -0.96 . . . . 1.1699999999999999 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HA ' HD23 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.96 -50.7 71.08 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 2.1499999999999999 108.932 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -57.27 -32.66 66.83 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.623 -0.673 . . . . 1.4399999999999999 109.807 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.45 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 1.3 109.777 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.512 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.928 . . . . 1.3999999999999999 109.745 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 1.7 109.759 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -94.49 156.63 16.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.119 -0.988 . . . . 1.04 109.115 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.3 m-85 -140.34 -175.16 4.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.176 -0.953 . . . . 0.65000000000000002 109.736 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.564 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.7 p -152.91 156.86 39.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 1.1399999999999999 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.2 130.67 16.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 1.0900000000000001 109.721 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.82 130.88 34.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 1.3700000000000001 109.408 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 31.7 mt -123.51 116.04 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 1.1499999999999999 109.268 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 149.19 43.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 2.79 109.445 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.65 133.73 4.15 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.525 -1.43 . . . . 0.45000000000000001 109.525 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -75.3 -45.46 39.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -1.165 . . . . 3.1600000000000001 109.486 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -46.62 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 2.2200000000000002 109.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.517 ' NH1' ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -59.3 -45.57 90.92 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 3.54 109.889 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.0 t80 -54.77 -55.73 26.94 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.372 -0.83 . . . . 0.5 109.858 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.58 -39.35 57.75 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.6599999999999999 110.236 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.36 -47.7 81.03 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.09 -1.006 . . . . 1.1499999999999999 110.537 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -61.33 -52.31 65.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.046 -1.034 . . . . 0.34000000000000002 109.444 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.79 -38.25 47.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.39 -0.819 . . . . 2.9399999999999999 109.631 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.21 -42.84 99.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.74 109.848 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.5 -46.07 90.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.197 -0.94 . . . . 1.0700000000000001 109.564 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.17 -44.0 87.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.388 -0.82 . . . . 1.22 109.958 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.66 97.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.72 110.023 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.73 64.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 1.0700000000000001 110.176 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.01 -40.35 93.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.267 -0.895 . . . . 1.0800000000000001 109.793 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.64 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 22.5 tp -63.71 -44.58 93.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 109.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.87 -48.2 80.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.311 -0.868 . . . . 2.1400000000000001 109.233 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.46 -31.88 66.39 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.477 -0.765 . . . . 1.4299999999999999 109.792 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.43 90.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 1.3 109.523 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 1.4199999999999999 109.533 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.247 0.546 . . . . 1.6100000000000001 109.763 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -94.38 156.63 16.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.301 -0.874 . . . . 0.96999999999999997 109.096 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -140.48 -175.28 4.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.094 -1.004 . . . . 0.59999999999999998 109.694 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.503 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 17.8 p -152.77 157.01 40.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.228 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.25 130.64 16.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.17 -0.956 . . . . 1.1000000000000001 109.66 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.89 131.0 34.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 1.3600000000000001 109.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 31.4 mt -123.56 115.91 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.229 -0.92 . . . . 1.1699999999999999 109.383 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 149.21 43.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 2.79 109.412 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.55 133.79 4.12 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.589 -1.405 . . . . 0.47999999999999998 109.589 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.47 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.2 ttt180 -75.36 -45.42 39.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -1.122 . . . . 3.2200000000000002 109.453 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.33 -46.76 85.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.825 . . . . 2.21 109.444 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.509 ' HB2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -59.4 -45.54 91.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.228 -0.92 . . . . 3.5499999999999998 109.802 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.1 t80 -54.74 -55.65 27.67 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.421 -0.799 . . . . 0.52000000000000002 109.887 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.56 -39.36 57.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.874 . . . . 1.6799999999999999 110.277 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.43 -47.72 80.75 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.087 -1.008 . . . . 1.1499999999999999 110.493 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.989 -1.07 . . . . 0.33000000000000002 109.462 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.84 -38.26 47.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.344 -0.848 . . . . 3.02 109.582 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.19 -42.93 99.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.124 -0.985 . . . . 1.75 109.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.35 -46.21 89.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.614 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.04 -43.98 87.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.29 -0.881 . . . . 1.21 109.991 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 110.021 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.44 -52.64 64.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 1.0600000000000001 110.143 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.153 -0.967 . . . . 1.0800000000000001 109.874 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 1.9299999999999999 109.805 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.437 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 22.2 tp -63.69 -44.63 93.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -0.904 . . . . 1.1399999999999999 109.596 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.78 -48.23 80.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.281 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.34 -32.01 66.29 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.563 -0.711 . . . . 1.4299999999999999 109.735 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.29 90.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 1.3100000000000001 109.577 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 1.3999999999999999 109.493 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.194 0.521 . . . . 2.1099999999999999 109.807 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -94.35 156.65 16.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 1.01 109.145 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.4 m-85 -140.43 -175.17 4.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.141 -0.974 . . . . 0.57999999999999996 109.68 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.56 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 17.6 p -152.88 156.87 39.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.363 -0.836 . . . . 1.1599999999999999 109.208 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.21 130.65 16.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.119 -0.988 . . . . 1.1699999999999999 109.68 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.93 131.03 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 1.8100000000000001 109.405 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 31.8 mt -123.56 116.06 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 1.1299999999999999 109.31 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 149.17 43.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 2.8199999999999998 109.393 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.76 4.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.548 -1.421 . . . . 0.45000000000000001 109.548 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.4 ttt180 -75.34 -45.43 39.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -1.13 . . . . 3.0800000000000001 109.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.3 -46.75 85.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 2.54 109.449 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.519 ' NH1' ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.295 -0.878 . . . . 4.1100000000000003 109.904 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.6 t80 -54.71 -55.79 26.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.434 -0.792 . . . . 0.56999999999999995 109.816 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.49 -39.42 57.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 1.6599999999999999 110.266 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.39 -47.77 80.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.076 -1.015 . . . . 1.29 110.399 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -61.3 -52.18 65.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.1 -1.0 . . . . 0.40000000000000002 109.506 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.87 -38.29 48.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.301 -0.874 . . . . 3.8500000000000001 109.58 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.17 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 1.78 109.77 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.49 -46.19 89.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 1.1699999999999999 109.539 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -57.95 -44.17 86.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 1.2 109.915 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.56 97.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.088 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.62 64.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 110.198 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.09 -40.39 93.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -0.958 . . . . 1.1399999999999999 109.737 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.99 -36.44 79.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 2.0899999999999999 109.656 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.465 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 22.4 tp -63.59 -44.79 92.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 1.3799999999999999 109.559 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.69 -48.36 79.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 2.6800000000000002 109.215 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.37 -31.95 66.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.457 -0.777 . . . . 1.3400000000000001 109.754 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.34 90.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 1.3 109.559 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 1.8 109.52 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.338 0.59 . . . . 1.6699999999999999 109.815 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -94.45 156.65 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 1.01 109.009 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.6 m-85 -140.54 -175.31 4.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.63 109.678 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.7 p -152.73 156.9 40.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.1299999999999999 109.17 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.24 130.7 16.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 1.1000000000000001 109.632 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.84 131.03 34.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.3700000000000001 109.345 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 32.2 mt -123.71 115.95 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.223 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 149.21 43.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 2.77 109.458 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.81 4.15 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.596 -1.402 . . . . 0.42999999999999999 109.596 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -75.41 -45.41 39.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -1.144 . . . . 3.1200000000000001 109.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -58.25 -46.71 85.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.318 -0.864 . . . . 2.2200000000000002 109.562 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.519 ' NH1' ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -59.35 -45.58 90.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.292 -0.88 . . . . 3.5 109.873 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.5 t80 -54.74 -55.69 27.26 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.402 -0.811 . . . . 0.5 109.884 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.54 -39.4 57.66 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.296 -0.877 . . . . 1.6899999999999999 110.288 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.4 -47.72 80.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.034 -1.041 . . . . 1.1399999999999999 110.507 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -61.32 -52.22 65.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.009 -1.057 . . . . 0.32000000000000001 109.431 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.85 -38.29 48.29 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.426 -0.796 . . . . 2.96 109.522 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -61.15 -42.89 99.36 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.161 -0.962 . . . . 1.75 109.85 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.35 -46.2 89.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.576 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.11 -44.03 87.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.385 -0.822 . . . . 1.22 109.945 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.4 -40.57 97.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 1.73 110.056 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.3 -52.85 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 110.189 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.93 -40.34 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.1100000000000001 109.809 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.01 -36.43 79.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 1.9099999999999999 109.755 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 22.4 tp -63.75 -44.5 93.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 109.627 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.85 -48.23 79.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.453 -0.78 . . . . 2.1499999999999999 109.207 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.37 -31.93 66.28 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.602 -0.686 . . . . 1.4399999999999999 109.761 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.33 90.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.3 109.516 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 1.3999999999999999 109.503 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.282 0.563 . . . . 1.7 109.608 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -95.58 144.92 25.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 1.04 109.401 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 51.0 m-85 -138.66 137.28 36.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.16 -0.962 . . . . 0.65000000000000002 109.243 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 19.4 p -92.12 176.66 6.42 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.453 -0.779 . . . . 1.1399999999999999 109.716 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.83 129.13 13.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.481 -0.762 . . . . 1.0900000000000001 109.05 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.66 120.46 27.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 1.3700000000000001 109.802 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 341' ' ' PHE . 42.5 mt -123.88 106.66 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.427 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -73.75 139.06 44.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 2.79 109.51 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.05 7.54 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.77 -1.332 . . . . 0.45000000000000001 109.77 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 13.5 ttp180 -82.21 -59.59 2.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -1.188 . . . . 3.1600000000000001 109.529 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.47 -40.83 83.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.899 . . . . 2.2200000000000002 109.563 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.493 ' NH1' HD12 ' C' ' 348' ' ' LEU . 11.1 tpp180 -62.55 -44.2 96.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.863 . . . . 3.54 109.298 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.9 -47.09 74.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.402 -0.811 . . . . 0.5 109.288 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.19 -40.97 59.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 110.005 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -62.72 -46.23 89.06 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.936 . . . . 1.1499999999999999 110.273 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CB ' HD11 ' A' ' 332' ' ' ILE . 22.1 m-85 -61.02 -56.26 23.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.064 -1.023 . . . . 0.34000000000000002 109.409 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -49.93 -34.44 20.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.402 -0.812 . . . . 2.9399999999999999 109.597 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.44 -49.98 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 1.74 109.435 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.42 -34.98 76.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 108.929 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.86 -52.16 66.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.389 -0.819 . . . . 1.22 109.506 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.8 -33.24 74.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.377 -0.827 . . . . 1.72 109.91 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.96 -53.63 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 110.065 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.446 HD12 ' NH1' ' C' ' 337' ' ' ARG . 59.2 mt -61.22 -41.12 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 1.0800000000000001 109.762 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.09 -37.45 82.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 110.001 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.1 tt -64.9 -44.78 88.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.506 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.457 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.0 ttmt -61.67 -43.65 98.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 2.1400000000000001 109.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.25 -33.12 67.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.525 -0.734 . . . . 1.4299999999999999 109.794 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.35 87.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 1.3 109.791 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.139 -0.976 . . . . 1.4199999999999999 109.601 -179.818 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.374 0.607 . . . . 1.6100000000000001 109.586 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.61 145.04 25.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.968 . . . . 0.96999999999999997 109.418 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 51.1 m-85 -138.79 137.34 36.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.59999999999999998 109.225 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 19.0 p -92.3 176.46 6.47 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.363 -0.836 . . . . 1.1000000000000001 109.719 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.61 129.19 14.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.432 -0.793 . . . . 1.1000000000000001 109.06 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.36 27.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.839 . . . . 1.3600000000000001 109.831 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.419 HD11 ' CB ' ' B' ' 341' ' ' PHE . 42.7 mt -123.78 106.72 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 1.1699999999999999 109.378 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.84 139.1 44.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.79 109.432 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.18 136.97 7.5 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.753 -1.339 . . . . 0.47999999999999998 109.753 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 13.5 ttp180 -81.99 -59.76 2.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.251 -1.147 . . . . 3.2200000000000002 109.515 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.95 83.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.229 -0.919 . . . . 2.21 109.522 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' HD12 ' D' ' 348' ' ' LEU . 11.1 tpp180 -62.45 -44.22 96.94 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.359 -0.838 . . . . 3.5499999999999998 109.256 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 24.6 t80 -54.83 -47.33 74.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.372 -0.83 . . . . 0.52000000000000002 109.266 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.14 -40.79 59.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.6799999999999999 110.01 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.79 -46.34 88.44 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 1.1499999999999999 110.203 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.419 ' CB ' HD11 ' B' ' 332' ' ' ILE . 21.9 m-85 -61.01 -56.2 23.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.33000000000000002 109.431 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -50.05 -34.45 21.53 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.352 -0.843 . . . . 3.02 109.49 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.4 -49.96 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.064 -1.023 . . . . 1.75 109.534 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.33 -34.99 76.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.304 -0.873 . . . . 1.0700000000000001 109.022 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.89 -52.14 67.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.47 -0.769 . . . . 1.21 109.465 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.79 -33.29 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.415 -0.803 . . . . 1.6899999999999999 109.837 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.02 -53.63 54.85 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 1.0600000000000001 109.999 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.439 HD12 ' NH1' ' D' ' 337' ' ' ARG . 58.7 mt -61.12 -41.33 96.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.764 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.85 -37.6 82.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.353 -0.842 . . . . 1.9299999999999999 109.989 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.1 tt -64.88 -44.72 88.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.581 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.0 ttmt -61.62 -43.77 98.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.431 -0.793 . . . . 2.1899999999999999 109.243 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.03 67.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.528 -0.733 . . . . 1.4299999999999999 109.839 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.44 87.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.186 -0.946 . . . . 1.3100000000000001 109.864 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 1.3999999999999999 109.624 -179.832 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.278 0.561 . . . . 2.1099999999999999 109.57 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 15.2 m-85 -95.47 145.05 25.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 1.01 109.444 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 50.8 m-85 -138.82 137.33 36.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.27 -0.894 . . . . 0.57999999999999996 109.223 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.31 176.43 6.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.509 -0.744 . . . . 1.1599999999999999 109.729 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.61 129.1 13.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.407 -0.808 . . . . 1.1699999999999999 109.122 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.51 27.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.8100000000000001 109.844 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' C' ' 341' ' ' PHE . 43.1 mt -123.96 106.65 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 1.1299999999999999 109.399 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 139.17 44.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 2.8199999999999998 109.467 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.19 137.04 7.52 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.671 -1.372 . . . . 0.45000000000000001 109.671 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 13.5 ttp180 -82.12 -59.58 2.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -1.092 . . . . 3.0800000000000001 109.517 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.98 83.88 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.867 . . . . 2.54 109.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.446 ' NH1' HD12 ' A' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.27 96.77 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.268 -0.895 . . . . 4.1100000000000003 109.174 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.81 -47.23 74.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.396 -0.815 . . . . 0.56999999999999995 109.248 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.18 -40.86 59.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 1.6599999999999999 109.998 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.83 -46.15 89.26 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 1.29 110.27 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CB ' HD11 ' C' ' 332' ' ' ILE . 22.3 m-85 -60.93 -56.44 21.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.135 -0.978 . . . . 0.40000000000000002 109.385 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -49.96 -34.38 20.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 3.8500000000000001 109.522 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.46 -49.87 75.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.196 -0.94 . . . . 1.78 109.543 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.44 -34.98 76.34 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.021 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.86 -52.07 67.32 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.392 -0.818 . . . . 1.2 109.508 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -62.79 -33.26 74.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.435 -0.791 . . . . 2.1200000000000001 109.88 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.07 -53.7 53.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 1.0700000000000001 109.921 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.493 HD12 ' NH1' ' A' ' 337' ' ' ARG . 58.9 mt -61.08 -41.46 96.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 1.1399999999999999 109.724 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.53 82.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.944 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.509 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.1 tt -65.03 -44.57 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 1.3799999999999999 109.566 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.488 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 2.6800000000000002 109.393 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.39 -33.0 67.38 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 1.3400000000000001 109.868 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.4 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 1.3 109.758 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 1.8 109.628 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.58 -0.526 . . . . 1.6699999999999999 109.58 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.61 145.06 25.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 1.01 109.392 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 50.4 m-85 -138.79 137.25 36.5 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.18 -0.95 . . . . 0.63 109.33 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.25 176.3 6.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.455 -0.778 . . . . 1.1299999999999999 109.713 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.46 129.17 14.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 1.1000000000000001 109.11 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.61 120.39 27.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.218 -0.926 . . . . 1.3700000000000001 109.862 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' D' ' 341' ' ' PHE . 42.8 mt -123.9 106.57 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.526 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 139.13 45.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.293 -0.879 . . . . 2.77 109.507 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.12 137.0 7.53 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.834 -1.306 . . . . 0.42999999999999999 109.834 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 13.4 ttp180 -82.18 -59.58 2.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -1.107 . . . . 3.1200000000000001 109.494 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.38 -40.99 83.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 2.2200000000000002 109.53 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.439 ' NH1' HD12 ' B' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.29 96.72 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.27 -0.894 . . . . 3.5 109.175 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.72 -47.26 73.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.5 109.359 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.12 -40.85 59.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.217 -0.927 . . . . 1.6899999999999999 110.092 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.2 ttp -62.69 -46.42 88.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.126 -0.984 . . . . 1.1399999999999999 110.169 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CB ' HD11 ' D' ' 332' ' ' ILE . 22.2 m-85 -60.89 -56.4 21.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.32000000000000001 109.458 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -49.84 -34.51 20.09 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.283 -0.886 . . . . 2.96 109.536 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.41 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 1.75 109.593 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.29 -35.1 76.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.198 -0.939 . . . . 1.0800000000000001 109.028 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.69 -52.22 66.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.423 -0.798 . . . . 1.22 109.553 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.75 -33.37 75.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 1.73 109.833 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.76 53.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.915 . . . . 1.0700000000000001 109.956 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.452 HD12 ' NH1' ' B' ' 337' ' ' ARG . 59.5 mt -61.11 -41.42 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 1.1100000000000001 109.728 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.5 82.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.9099999999999999 110.023 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.95 -44.67 88.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.1699999999999999 109.568 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.509 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.72 98.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 2.1499999999999999 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.17 -33.22 67.22 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.584 -0.698 . . . . 1.4399999999999999 109.837 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.45 87.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 1.3 109.838 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.924 . . . . 1.3999999999999999 109.678 -179.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.271 0.558 . . . . 1.7 109.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.0 m-85 -93.39 152.39 19.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.21 -0.931 . . . . 1.04 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.5 m-85 -139.24 -168.7 2.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.65000000000000002 109.663 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.8 p -152.42 160.92 43.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.862 . . . . 1.1399999999999999 109.465 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.9 133.52 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 1.0900000000000001 109.404 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.44 129.11 34.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.334 -0.854 . . . . 1.3700000000000001 109.403 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 30.5 mt -123.94 118.57 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 1.1499999999999999 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.97 150.15 40.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.848 . . . . 2.79 109.588 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 134.22 5.36 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.727 -1.349 . . . . 0.45000000000000001 109.727 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.84 -53.7 6.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.176 -1.191 . . . . 3.1600000000000001 109.327 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -46.17 87.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 2.2200000000000002 109.274 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.422 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 0.4 OUTLIER -60.99 -41.24 96.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.354 -0.841 . . . . 3.54 109.318 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -55.23 -56.12 23.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.465 -0.772 . . . . 0.5 109.593 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.87 -33.62 24.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.404 -0.81 . . . . 1.6599999999999999 109.867 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.37 75.19 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 1.1499999999999999 109.916 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.38 -48.88 79.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.34000000000000002 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.51 -37.98 51.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 2.9399999999999999 109.503 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -47.7 84.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.311 -0.868 . . . . 1.74 109.659 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.46 -33.98 74.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.27 -0.893 . . . . 1.0700000000000001 108.735 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.71 -57.46 12.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.495 -0.753 . . . . 1.22 109.429 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -26.11 68.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.72 109.824 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -57.9 10.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.144 -0.973 . . . . 1.0700000000000001 110.022 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.66 -40.13 90.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.461 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -35.63 73.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.294 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.98 -40.73 95.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.376 -0.827 . . . . 1.1499999999999999 109.222 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -62.51 -50.36 71.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.461 -0.774 . . . . 2.1400000000000001 109.073 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -30.11 60.75 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.616 -0.677 . . . . 1.4299999999999999 109.702 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.74 82.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.897 . . . . 1.3 109.736 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD22 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 1.4199999999999999 109.612 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.327 0.584 . . . . 1.6100000000000001 109.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 7.8 m-85 -93.36 152.33 19.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.228 -0.92 . . . . 0.96999999999999997 109.264 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 68.8 m-85 -139.27 -168.72 2.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.296 -0.878 . . . . 0.59999999999999998 109.723 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.9 p -152.38 160.87 43.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 109.504 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' D' ' 342' ' ' ARG . 12.3 tp -148.81 133.46 17.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 1.1000000000000001 109.522 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.18 34.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.3600000000000001 109.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 30.9 mt -123.97 118.52 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 1.1699999999999999 109.506 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.94 150.2 40.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 2.79 109.652 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.57 134.18 5.27 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.784 -1.326 . . . . 0.47999999999999998 109.784 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -80.7 -53.77 6.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -1.191 . . . . 3.2200000000000002 109.398 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -46.33 86.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 2.21 109.293 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.475 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 0.4 OUTLIER -60.91 -41.3 95.87 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.313 -0.867 . . . . 3.5499999999999998 109.296 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.3 t80 -55.28 -56.01 24.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.799 . . . . 0.52000000000000002 109.6 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.01 -33.48 25.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.341 -0.85 . . . . 1.6799999999999999 109.9 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.44 74.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.164 -0.96 . . . . 1.1499999999999999 109.893 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -48.8 79.52 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.33000000000000002 109.307 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.53 -38.06 52.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 3.02 109.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.78 84.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.157 -0.965 . . . . 1.75 109.675 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.4 -33.96 74.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 108.729 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.84 -57.4 13.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.457 -0.777 . . . . 1.21 109.404 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -26.11 68.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 1.6899999999999999 109.793 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.96 -58.0 10.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 1.0600000000000001 109.979 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 1.0800000000000001 109.488 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.11 -35.69 73.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 1.9299999999999999 109.39 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.458 HD22 ' NE2' ' A' ' 354' ' ' GLN . 10.3 tp -64.97 -40.67 95.33 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.304 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -50.4 71.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.662 0.744 . . . . 2.1899999999999999 109.065 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -30.04 61.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.708 -0.62 . . . . 1.4299999999999999 109.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.98 81.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.815 . . . . 1.3100000000000001 109.638 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.107 -0.996 . . . . 1.3999999999999999 109.689 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.493 -0.558 . . . . 2.1099999999999999 109.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 7.9 m-85 -93.3 152.4 19.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.29 -0.881 . . . . 1.01 109.283 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.5 m-85 -139.23 -168.71 2.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 0.57999999999999996 109.705 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.9 p -152.38 160.98 43.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 1.1599999999999999 109.445 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.4 tp -148.96 133.41 17.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.949 . . . . 1.1699999999999999 109.494 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 17.2 tt0 -86.32 129.01 35.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 1.8100000000000001 109.472 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 30.5 mt -123.87 118.58 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 1.1299999999999999 109.587 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.99 150.1 40.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 2.8199999999999998 109.703 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.61 134.2 5.3 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.822 -1.311 . . . . 0.45000000000000001 109.822 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.461 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.69 -53.87 6.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -1.142 . . . . 3.0800000000000001 109.301 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -46.41 86.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 2.54 109.326 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -41.27 95.5 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.332 -0.855 . . . . 4.1100000000000003 109.342 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.6 t80 -55.25 -56.07 24.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 0.56999999999999995 109.611 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.98 -33.56 25.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 1.6599999999999999 109.912 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.77 -49.34 75.38 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.183 -0.948 . . . . 1.29 109.942 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.46 -49.04 78.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 109.113 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.4 -37.98 51.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 3.8500000000000001 109.485 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -47.69 84.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.249 -0.907 . . . . 1.78 109.715 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -33.81 74.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 1.1699999999999999 108.773 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.86 -57.4 13.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.438 -0.788 . . . . 1.2 109.4 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -26.01 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.438 -0.789 . . . . 2.1200000000000001 109.727 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.03 -57.95 10.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.311 -0.868 . . . . 1.0700000000000001 109.966 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.422 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 37.7 mt -60.63 -40.24 91.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 109.427 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.07 -35.68 73.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 2.0899999999999999 109.316 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' D' ' 351' ' ' LYS . 10.3 tp -64.95 -40.74 95.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.3799999999999999 109.25 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.28 72.13 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 2.6800000000000002 109.132 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.708 -0.62 . . . . 1.3400000000000001 109.634 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.98 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.3 109.699 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.429 ' NE2' HD22 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.143 -0.973 . . . . 1.8 109.645 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.542 -0.54 . . . . 1.6699999999999999 109.542 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 7.8 m-85 -93.29 152.39 19.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 1.01 109.328 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.5 m-85 -139.28 -168.67 2.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.957 . . . . 0.63 109.656 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.8 p -152.4 160.87 43.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 1.1299999999999999 109.463 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.82 133.45 17.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 1.1000000000000001 109.508 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.1 34.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.344 -0.847 . . . . 1.3700000000000001 109.441 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 30.4 mt -123.94 118.47 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 1.1499999999999999 109.509 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.92 150.11 41.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -0.842 . . . . 2.77 109.733 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.55 134.18 5.26 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.825 -1.31 . . . . 0.42999999999999999 109.825 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -80.62 -53.9 6.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -1.114 . . . . 3.1200000000000001 109.308 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -46.45 86.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.248 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -41.27 95.22 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.292 -0.88 . . . . 3.5 109.304 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.25 -56.01 24.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.789 . . . . 0.5 109.625 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.06 -33.53 26.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.432 -0.792 . . . . 1.6899999999999999 109.866 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.73 -49.38 75.26 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.169 -0.957 . . . . 1.1399999999999999 109.897 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -49.01 78.56 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.281 -0.887 . . . . 0.32000000000000001 109.185 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' B' ' 330' ' ' LEU . 20.2 ttp180 -51.36 -38.09 51.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 2.96 109.572 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -47.71 84.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.145 -0.972 . . . . 1.75 109.686 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.45 -33.96 74.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 108.739 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.72 -57.44 12.99 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.415 -0.803 . . . . 1.22 109.407 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -25.97 68.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.355 -0.841 . . . . 1.73 109.728 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.07 -57.83 10.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 110.015 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.475 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 37.6 mt -60.65 -40.1 90.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.522 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.23 -35.63 73.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.922 . . . . 1.9099999999999999 109.297 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.429 HD22 ' NE2' ' C' ' 354' ' ' GLN . 10.3 tp -64.84 -40.78 95.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 1.1699999999999999 109.339 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.464 ' HA ' HD23 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -62.42 -50.29 72.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.433 -0.792 . . . . 2.1499999999999999 109.129 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -29.98 60.97 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.645 -0.659 . . . . 1.4399999999999999 109.679 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.04 81.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.271 -0.893 . . . . 1.3 109.731 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 1.3999999999999999 109.684 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.247 -0.649 . . . . 1.7 109.247 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 6.9 m-85 -91.77 153.39 19.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 1.04 109.394 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.4 m-85 -136.08 -171.26 2.83 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.317 -0.864 . . . . 0.65000000000000002 109.662 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 13.4 p -151.78 158.53 43.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.067 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.65 133.67 18.17 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.393 -0.817 . . . . 1.0900000000000001 109.45 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 2.9 tt0 -87.02 129.07 35.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 1.3700000000000001 109.332 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.408 HG22 ' CD2' ' A' ' 341' ' ' PHE . 39.9 mt -124.09 113.21 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 1.1499999999999999 109.444 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 148.39 42.05 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.173 -0.954 . . . . 2.79 109.826 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.7 132.1 6.89 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.709 -1.356 . . . . 0.45000000000000001 109.709 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.7 ttt180 -75.05 -58.22 3.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -1.16 . . . . 3.1600000000000001 109.581 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -44.25 84.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 2.2200000000000002 109.659 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -42.64 95.32 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.28 -0.887 . . . . 3.54 109.53 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.6 t80 -56.18 -55.56 31.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.5 109.839 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.37 -37.64 49.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.367 -0.833 . . . . 1.6599999999999999 110.012 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.53 -48.61 78.78 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.197 -0.94 . . . . 1.1499999999999999 109.79 -179.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' A' ' 332' ' ' ILE . 29.6 m-85 -59.79 -52.06 67.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.028 -1.045 . . . . 0.34000000000000002 109.412 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.34 -38.57 59.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.421 -0.799 . . . . 2.9399999999999999 109.942 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -58.85 -42.84 90.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 1.74 109.767 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.71 -45.7 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 109.461 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -57.9 -43.87 86.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 1.22 109.757 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 3.2 mt-10 -63.01 -37.9 89.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 1.72 109.966 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.38 -52.07 66.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 1.0700000000000001 109.879 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.6 -40.54 92.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 109.476 -179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.31 -38.81 81.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 1.9099999999999999 109.711 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 21.5 tp -64.03 -42.23 97.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.575 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.7 ttmt -61.99 -45.84 91.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.169 -0.957 . . . . 2.1400000000000001 109.121 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.74 -30.64 65.73 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.542 -0.724 . . . . 1.4299999999999999 109.816 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.52 81.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.541 -0.724 . . . . 1.3 109.878 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.986 . . . . 1.4199999999999999 109.88 -179.771 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.341 -0.614 . . . . 1.6100000000000001 109.341 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 6.3 m-85 -91.74 153.44 19.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.96999999999999997 109.475 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -136.14 -171.08 2.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.59999999999999998 109.61 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.7 p -151.81 158.6 43.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 1.1000000000000001 109.183 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' D' ' 342' ' ' ARG . 12.6 tp -148.61 133.78 18.31 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.2 -0.937 . . . . 1.1000000000000001 109.545 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 2.9 tt0 -86.99 128.82 35.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.352 -0.843 . . . . 1.3600000000000001 109.368 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.408 HG22 ' CD2' ' B' ' 341' ' ' PHE . 39.0 mt -123.89 113.24 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 1.1699999999999999 109.447 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.51 42.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 2.79 109.732 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.63 132.21 6.92 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.864 -1.294 . . . . 0.47999999999999998 109.864 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 62.4 ttt180 -75.18 -58.16 3.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -1.191 . . . . 3.2200000000000002 109.587 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.7 -44.12 85.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 2.21 109.599 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -60.18 -42.41 94.95 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.127 -0.983 . . . . 3.5499999999999998 109.6 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.5 t80 -56.14 -55.93 27.02 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.438 -0.789 . . . . 0.52000000000000002 109.821 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -51.06 -37.55 46.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 1.6799999999999999 109.998 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.5 -48.76 78.14 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.86 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' B' ' 332' ' ' ILE . 29.3 m-85 -59.85 -52.02 67.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.037 -1.039 . . . . 0.33000000000000002 109.362 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.409 ' HA ' HD12 ' D' ' 330' ' ' LEU . 17.5 ttp180 -52.34 -38.68 59.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.481 -0.762 . . . . 3.02 109.824 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.75 -42.65 89.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.941 . . . . 1.75 109.886 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.92 -45.49 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 109.538 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -58.11 -43.75 87.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 1.21 109.632 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 3.3 mt-10 -63.01 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 1.6899999999999999 109.918 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.21 66.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 1.0600000000000001 109.943 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.66 -40.29 91.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 1.0800000000000001 109.516 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.56 -38.89 82.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.633 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.442 HD22 ' HG ' ' A' ' 350' ' ' LEU . 22.3 tp -63.91 -42.2 97.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 1.1399999999999999 109.536 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.4 ttmt -62.07 -45.89 91.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 2.1899999999999999 109.177 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.69 -30.75 65.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.755 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.29 81.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.3100000000000001 109.988 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.3999999999999999 109.784 -179.818 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.285 -0.635 . . . . 2.1099999999999999 109.285 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.427 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 6.2 m-85 -91.84 153.25 19.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.937 . . . . 1.01 109.418 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.2 m-85 -135.82 -170.91 2.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.57999999999999996 109.484 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 13.4 p -151.95 158.42 43.11 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.309 -0.87 . . . . 1.1599999999999999 109.13 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -148.69 133.72 18.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.856 . . . . 1.1699999999999999 109.466 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.02 128.95 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.373 -0.829 . . . . 1.8100000000000001 109.364 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' C' ' 341' ' ' PHE . 39.2 mt -124.06 113.16 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 1.1299999999999999 109.523 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 148.3 42.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 2.8199999999999998 109.719 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.94 132.38 7.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.772 -1.331 . . . . 0.45000000000000001 109.772 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 62.5 ttt180 -75.14 -58.53 3.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -1.18 . . . . 3.0800000000000001 109.555 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -44.29 83.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 2.54 109.736 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.05 -42.62 94.86 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.308 -0.87 . . . . 4.1100000000000003 109.647 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -56.17 -55.8 28.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.354 -0.841 . . . . 0.56999999999999995 109.756 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.86 -37.81 45.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.908 . . . . 1.6599999999999999 110.073 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.41 -48.53 79.31 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.24 -0.912 . . . . 1.29 110.024 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' C' ' 332' ' ' ILE . 29.1 m-85 -60.03 -52.22 66.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.40000000000000002 109.324 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -52.2 -38.79 58.95 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.423 -0.798 . . . . 3.8500000000000001 109.75 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.76 -42.57 89.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.198 -0.939 . . . . 1.78 109.991 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.84 -45.73 92.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.227 -0.921 . . . . 1.1699999999999999 109.474 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.87 -43.63 86.12 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.2 109.762 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.15 -37.98 89.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.813 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.14 66.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.892 . . . . 1.0700000000000001 110.01 -179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.65 -40.44 92.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.393 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.32 -38.86 81.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.686 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 21.7 tp -64.07 -42.08 97.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.3799999999999999 109.595 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.09 -45.85 91.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.6800000000000002 109.18 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.82 -30.57 65.83 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.645 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.79 81.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.44 -0.787 . . . . 1.3 109.957 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 1.8 109.79 -179.799 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.148 -0.686 . . . . 1.6699999999999999 109.148 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 6.4 m-85 -91.84 153.44 19.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.01 109.393 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 83.7 m-85 -136.03 -171.03 2.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.425 -0.797 . . . . 0.63 109.579 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 13.4 p -152.17 158.05 42.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.416 -0.803 . . . . 1.1299999999999999 109.106 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 342' ' ' ARG . 12.5 tp -148.34 133.83 18.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.1000000000000001 109.561 -179.545 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -86.93 128.87 35.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.26 -0.9 . . . . 1.3700000000000001 109.427 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' D' ' 341' ' ' PHE . 39.2 mt -124.0 113.34 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.282 -0.886 . . . . 1.1499999999999999 109.468 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.37 42.51 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.348 -0.845 . . . . 2.77 109.692 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.67 132.52 7.06 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.774 -1.33 . . . . 0.42999999999999999 109.774 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 62.3 ttt180 -75.35 -58.51 3.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -1.073 . . . . 3.1200000000000001 109.528 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -44.47 84.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.394 -0.816 . . . . 2.2200000000000002 109.681 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.92 -42.47 94.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 3.5 109.756 -179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.5 t80 -56.16 -55.68 30.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.835 . . . . 0.5 109.804 -179.651 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -51.23 -37.62 47.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.6899999999999999 110.012 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -62.56 -48.48 79.3 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.157 -0.964 . . . . 1.1399999999999999 109.915 -179.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' D' ' 332' ' ' ILE . 29.2 m-85 -60.03 -52.25 66.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.32000000000000001 109.316 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' B' ' 330' ' ' LEU . 17.6 ttp180 -52.16 -38.74 58.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.337 -0.852 . . . . 2.96 109.827 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.65 -42.82 89.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.113 -0.992 . . . . 1.75 109.834 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.67 -45.68 92.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.287 -0.883 . . . . 1.0800000000000001 109.605 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.93 -43.66 86.44 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.29 -0.881 . . . . 1.22 109.67 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.28 -37.94 89.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.73 109.862 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.06 66.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.881 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.61 -40.55 92.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.1100000000000001 109.49 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.56 -38.7 81.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.355 -0.841 . . . . 1.9099999999999999 109.557 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.405 HD22 ' HG ' ' C' ' 350' ' ' LEU . 21.7 tp -63.94 -42.36 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.149 -0.969 . . . . 1.1699999999999999 109.503 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 14.4 ttmt -61.78 -46.08 91.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.1499999999999999 109.29 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.69 -30.88 65.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.579 -0.701 . . . . 1.4399999999999999 109.667 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.66 81.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.346 -0.846 . . . . 1.3 110.037 -179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 1.3999999999999999 109.764 -179.756 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.278 0.561 . . . . 1.7 109.799 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.482 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 19.9 m-85 -94.93 154.87 17.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.204 -0.935 . . . . 1.04 108.892 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 87.6 m-85 -139.31 -172.73 3.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 0.65000000000000002 109.945 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 40.7 p -153.1 160.06 42.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.402 -0.811 . . . . 1.1399999999999999 109.085 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 10.2 tp -149.79 131.3 14.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.145 -0.972 . . . . 1.0900000000000001 109.663 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 41.3 tt0 -86.28 127.16 34.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.345 -0.847 . . . . 1.3700000000000001 109.442 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -124.12 112.68 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.169 -0.957 . . . . 1.1499999999999999 109.716 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.55 149.4 42.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 2.79 109.318 179.755 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.46 131.86 7.28 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.639 -1.384 . . . . 0.45000000000000001 109.639 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -74.01 -65.76 0.8 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.074 . . . . 3.1600000000000001 109.57 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.44 -39.05 82.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 2.2200000000000002 109.822 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -46.04 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.204 -0.935 . . . . 3.54 109.674 -179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.1 t80 -55.03 -55.68 28.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.825 . . . . 0.5 109.758 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.72 -33.96 24.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.935 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.36 -50.73 70.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 109.93 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.99 -48.47 81.67 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.233 -0.917 . . . . 0.34000000000000002 109.25 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -51.6 -38.12 53.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.439 -0.788 . . . . 2.9399999999999999 109.649 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.81 -48.4 81.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.188 -0.945 . . . . 1.74 109.604 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 71.0 mt -61.86 -33.32 73.98 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 108.69 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.84 -56.13 25.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.518 -0.739 . . . . 1.22 109.602 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.63 -30.46 71.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 1.72 109.896 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.33 33.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.95 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.78 -33.52 73.1 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 1.0800000000000001 109.6 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.38 -40.17 95.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.948 . . . . 1.9099999999999999 109.771 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.3 tt -64.47 -49.48 71.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.666 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.449 ' HE2' ' HB3' ' B' ' 346' ' ' GLU . 0.2 OUTLIER -60.35 -39.16 86.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.924 . . . . 2.1400000000000001 108.835 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.69 -33.0 67.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.495 -0.558 . . . . 1.4299999999999999 109.495 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.27 87.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 1.3 109.075 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' B' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.398 -0.814 . . . . 1.4199999999999999 109.331 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.199 0.523 . . . . 1.6100000000000001 109.828 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 19.9 m-85 -94.83 154.82 17.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.96999999999999997 108.878 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.5 m-85 -139.39 -172.71 3.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.94 -1.1 . . . . 0.59999999999999998 109.923 -179.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.9 p -152.95 160.12 43.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.336 -0.852 . . . . 1.1000000000000001 109.186 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' D' ' 329' ' ' THR . 10.1 tp -149.87 131.31 14.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.206 -0.934 . . . . 1.1000000000000001 109.617 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.32 127.16 34.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 1.3600000000000001 109.423 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -124.17 112.58 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 1.1699999999999999 109.703 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.503 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.32 42.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.79 109.289 179.821 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.53 131.96 7.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.586 -1.406 . . . . 0.47999999999999998 109.586 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.0 ttt180 -74.02 -65.69 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -1.14 . . . . 3.2200000000000002 109.672 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.42 -39.09 82.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.82 . . . . 2.21 109.864 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -45.91 91.14 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 3.5499999999999998 109.744 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.12 -55.58 29.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.316 -0.865 . . . . 0.52000000000000002 109.814 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.76 -33.94 25.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.6799999999999999 109.842 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.38 -50.73 70.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.235 -0.916 . . . . 1.1499999999999999 109.944 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.96 -48.59 81.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.33000000000000002 109.167 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.61 -38.15 53.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.817 . . . . 3.02 109.593 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.74 -48.44 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 1.75 109.631 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.9 -33.33 74.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 108.729 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.89 -56.11 25.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.494 -0.754 . . . . 1.21 109.559 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.449 ' HB3' ' HE2' ' A' ' 351' ' ' LYS . 15.6 tt0 -63.56 -30.58 71.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.868 . . . . 1.6899999999999999 109.87 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -55.46 32.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.0600000000000001 109.939 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.75 -33.52 73.06 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.379 -0.826 . . . . 1.0800000000000001 109.633 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.41 -40.12 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.868 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.416 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.3 tt -64.38 -49.57 71.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.316 -0.865 . . . . 1.1399999999999999 109.689 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -39.16 85.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 2.1899999999999999 108.92 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.63 -33.03 67.83 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.27 0.557 . . . . 1.4299999999999999 109.601 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.43 88.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.359 -0.838 . . . . 1.3100000000000001 109.191 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.3999999999999999 109.31 179.744 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.191 0.52 . . . . 2.1099999999999999 109.909 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -94.93 154.78 17.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.195 -0.941 . . . . 1.01 108.863 179.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.6 m-85 -139.27 -172.74 3.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.078 -1.014 . . . . 0.57999999999999996 109.978 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 40.8 p -152.99 160.09 42.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 1.1599999999999999 109.095 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 329' ' ' THR . 10.1 tp -149.82 131.41 14.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.1699999999999999 109.66 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.39 127.27 34.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 1.8100000000000001 109.392 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.1 mt -124.12 112.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.133 -0.979 . . . . 1.1299999999999999 109.689 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.513 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.0 OUTLIER -73.62 149.38 42.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.29 -0.881 . . . . 2.8199999999999998 109.279 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.52 131.95 7.3 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.593 -1.403 . . . . 0.45000000000000001 109.593 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.8 ttt180 -73.95 -65.85 0.78 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -1.155 . . . . 3.0800000000000001 109.607 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.35 -39.02 81.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 2.54 109.865 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.91 91.33 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.241 -0.912 . . . . 4.1100000000000003 109.705 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.8 t80 -55.05 -55.7 28.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.387 -0.82 . . . . 0.56999999999999995 109.71 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.71 -33.85 24.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.99 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -50.78 70.19 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.121 -0.987 . . . . 1.29 109.936 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.88 -48.49 81.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 0.40000000000000002 109.309 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.62 -38.19 53.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.444 -0.785 . . . . 3.8500000000000001 109.589 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.75 -48.34 82.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.216 -0.928 . . . . 1.78 109.709 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.93 -33.31 74.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 1.1699999999999999 108.788 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.81 -56.12 25.75 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.44 -0.788 . . . . 1.2 109.66 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.469 ' HB3' ' HE2' ' D' ' 351' ' ' LYS . 15.4 tt0 -63.58 -30.55 71.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 2.1200000000000001 109.917 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.35 33.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.287 -0.883 . . . . 1.0700000000000001 109.971 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.75 -33.6 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.351 -0.843 . . . . 1.1399999999999999 109.533 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -64.5 -40.06 94.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 2.0899999999999999 109.713 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.3 tt -64.42 -49.61 70.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.338 -0.851 . . . . 1.3799999999999999 109.681 -179.447 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.31 86.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 2.6800000000000002 108.865 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.63 -33.07 67.87 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-O 121.355 0.598 . . . . 1.3400000000000001 109.538 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.36 88.58 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 1.3 109.128 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 1.8 109.323 179.708 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.318 0.58 . . . . 1.6699999999999999 109.788 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.46 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 19.5 m-85 -94.92 154.87 17.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.21 -0.931 . . . . 1.01 108.958 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.6 m-85 -139.32 -172.88 3.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.63 109.925 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.8 p -152.92 160.11 43.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 1.1299999999999999 109.208 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 10.1 tp -149.85 131.32 14.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.101 -1.0 . . . . 1.1000000000000001 109.661 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.34 127.16 34.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 109.361 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.6 mt -124.05 112.58 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.182 -0.949 . . . . 1.1499999999999999 109.817 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.503 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.27 42.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -0.886 . . . . 2.77 109.378 179.772 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.54 131.9 7.28 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.42999999999999999 109.588 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttt180 -73.98 -65.7 0.81 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -1.069 . . . . 3.1200000000000001 109.656 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.45 -39.05 82.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.849 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.86 91.41 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.239 -0.913 . . . . 3.5 109.724 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.0 t80 -55.15 -55.64 28.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.5 109.74 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.74 -33.87 24.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 109.963 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.45 -50.62 70.75 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.926 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.01 -48.62 80.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.32000000000000001 109.146 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.49 -38.2 52.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 2.96 109.591 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.83 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 1.75 109.658 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.9 -33.26 73.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.244 -0.91 . . . . 1.0800000000000001 108.765 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.84 -56.21 24.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.459 -0.775 . . . . 1.22 109.633 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -63.52 -30.59 71.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.352 -0.842 . . . . 1.73 109.895 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -55.47 32.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 1.0700000000000001 109.888 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.82 -33.37 72.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 1.1100000000000001 109.626 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.49 -40.13 95.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.895 . . . . 1.9099999999999999 109.753 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 1.3 tt -64.47 -49.55 70.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.336 -0.852 . . . . 1.1699999999999999 109.65 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' C' ' 346' ' ' GLU . 0.2 OUTLIER -60.26 -39.27 86.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.224 -0.922 . . . . 2.1499999999999999 108.891 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.53 -33.03 67.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.79 -0.569 . . . . 1.4399999999999999 109.584 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.35 88.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.322 -0.862 . . . . 1.3 109.139 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.391 -0.818 . . . . 1.3999999999999999 109.307 179.662 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.442 -0.577 . . . . 1.7 109.442 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.7 155.25 17.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.117 -0.989 . . . . 1.04 109.582 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.3 -169.95 2.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.542 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 30.3 p -153.2 157.22 39.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 1.1399999999999999 109.432 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -148.7 133.19 17.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 1.0900000000000001 109.602 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 23.2 tt0 -85.83 127.86 34.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 1.3700000000000001 109.121 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 341' ' ' PHE . 65.5 mt -123.85 114.32 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.797 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.497 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -74.13 149.51 40.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 2.79 109.358 179.64 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.79 133.61 7.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.751 -1.34 . . . . 0.45000000000000001 109.751 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.9 ttt180 -78.58 -58.21 3.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 3.1600000000000001 109.582 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.72 86.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 2.2200000000000002 109.629 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.63 -41.4 94.8 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.285 -0.884 . . . . 3.54 109.558 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 59.0 t80 -55.57 -56.07 24.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.324 -0.86 . . . . 0.5 109.943 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.28 -37.13 45.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 110.173 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.42 -47.77 80.56 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.177 -0.952 . . . . 1.1499999999999999 110.307 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 332' ' ' ILE . 23.5 m-85 -61.1 -52.44 64.89 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.945 . . . . 0.34000000000000002 109.415 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.78 -39.63 53.02 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.436 -0.79 . . . . 2.9399999999999999 109.736 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.72 -43.26 94.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 1.74 109.999 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.19 -43.46 98.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 1.0700000000000001 109.531 -179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.13 -48.09 81.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 1.22 109.876 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.86 -34.34 75.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 1.72 109.844 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.07 79.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 1.0700000000000001 110.007 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.406 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 55.2 mt -61.47 -41.92 97.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 1.0800000000000001 109.731 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.79 -38.52 78.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.495 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.79 -42.79 97.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 109.795 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.64 -40.06 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.387 -0.82 . . . . 2.1400000000000001 109.198 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.15 -35.41 67.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.469 -0.769 . . . . 1.4299999999999999 109.588 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -49.76 63.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 1.3 109.57 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 1.4199999999999999 109.753 -179.79 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.37 -0.604 . . . . 1.6100000000000001 109.37 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -93.82 155.18 17.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.96999999999999997 109.498 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -139.16 -169.9 2.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.59999999999999998 109.533 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 30.1 p -153.18 157.03 39.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.929 . . . . 1.1000000000000001 109.416 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.53 133.22 17.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 1.1000000000000001 109.662 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.85 127.8 34.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.862 . . . . 1.3600000000000001 109.135 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' B' ' 341' ' ' PHE . 65.2 mt -123.86 114.36 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 1.1699999999999999 109.768 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.6 OUTLIER -74.14 149.3 41.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 2.79 109.418 179.664 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.9 133.33 7.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.776 -1.329 . . . . 0.47999999999999998 109.776 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.9 ttt180 -78.15 -58.39 3.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.334 -1.097 . . . . 3.2200000000000002 109.644 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.06 -42.66 85.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.965 . . . . 2.21 109.663 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.63 -41.43 94.86 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.334 -0.854 . . . . 3.5499999999999998 109.565 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.6 t80 -55.58 -56.08 24.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.41 -0.806 . . . . 0.52000000000000002 109.91 -179.824 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.38 -37.08 46.26 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.377 -0.827 . . . . 1.6799999999999999 110.141 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.78 80.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 110.291 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.456 ' CD2' HG22 ' B' ' 332' ' ' ILE . 23.2 m-85 -61.04 -52.55 64.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 0.33000000000000002 109.342 -179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.75 -39.71 52.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.864 . . . . 3.02 109.625 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.63 -43.33 93.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.35 -0.844 . . . . 1.75 109.97 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 75.3 mt -62.09 -43.49 98.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.567 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.12 -48.16 81.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.921 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.87 -34.24 75.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 1.6899999999999999 109.84 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.06 79.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 1.0600000000000001 109.977 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 55.6 mt -61.51 -41.88 97.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.665 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.92 -38.43 78.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.9299999999999999 109.422 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.82 -42.85 97.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 109.725 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.13 93.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.373 -0.829 . . . . 2.1899999999999999 109.14 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.06 -35.42 66.93 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.723 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.63 63.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 1.3100000000000001 109.598 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.3999999999999999 109.821 -179.886 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.478 -0.564 . . . . 2.1099999999999999 109.478 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -93.69 155.33 17.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.238 -0.914 . . . . 1.01 109.481 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.7 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.57999999999999996 109.479 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 30.2 p -153.19 157.2 39.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 1.1599999999999999 109.382 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.62 133.21 17.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.661 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 23.3 tt0 -85.82 127.76 34.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.198 -0.939 . . . . 1.8100000000000001 109.236 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.441 HG22 ' CD2' ' C' ' 341' ' ' PHE . 65.0 mt -123.82 114.24 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 1.1299999999999999 109.804 -179.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.6 OUTLIER -74.06 149.45 41.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.388 -0.82 . . . . 2.8199999999999998 109.379 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.85 133.7 7.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.659 -1.376 . . . . 0.45000000000000001 109.659 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.9 ttt180 -78.61 -58.26 3.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 3.0800000000000001 109.593 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.67 86.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 2.54 109.661 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.52 -41.54 94.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.26 -0.9 . . . . 4.1100000000000003 109.597 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 329' ' ' THR . 59.1 t80 -55.53 -56.02 25.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.445 -0.784 . . . . 0.56999999999999995 109.952 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.41 -37.07 46.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 110.082 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -63.51 -47.7 80.62 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.112 -0.993 . . . . 1.29 110.274 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CD2' HG22 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.02 -52.46 64.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.40000000000000002 109.453 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.82 -39.6 53.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.317 -0.865 . . . . 3.8500000000000001 109.702 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.76 -43.39 94.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.78 109.897 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.11 -43.48 98.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.1699999999999999 109.512 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.07 -48.18 80.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 1.2 109.91 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.88 -34.28 75.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 2.1200000000000001 109.829 -179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.47 -48.95 79.66 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 1.0700000000000001 110.044 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.6 -41.85 98.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -0.857 . . . . 1.1399999999999999 109.692 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.83 -38.42 78.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.27 -0.894 . . . . 2.0899999999999999 109.533 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 13.4 tp -63.9 -42.85 97.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.21 -0.931 . . . . 1.3799999999999999 109.699 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.03 93.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.858 . . . . 2.6800000000000002 109.212 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.375 -0.828 . . . . 1.3400000000000001 109.754 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.63 63.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 1.3 109.632 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.512 ' NE2' HD22 ' D' ' 350' ' ' LEU . 1.1 mt-30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.238 -0.914 . . . . 1.8 109.739 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.394 -0.595 . . . . 1.6699999999999999 109.394 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -93.85 155.24 17.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 1.01 109.462 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.63 109.548 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 30.2 p -153.14 156.94 39.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 1.1299999999999999 109.501 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.43 133.22 17.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.371 -0.831 . . . . 1.1000000000000001 109.681 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.79 127.75 34.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 1.3700000000000001 109.184 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.445 HG22 ' CD2' ' D' ' 341' ' ' PHE . 64.8 mt -123.69 114.38 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 109.844 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.6 OUTLIER -74.27 149.42 40.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.333 -0.855 . . . . 2.77 109.304 179.733 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.8 133.65 7.54 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.753 -1.339 . . . . 0.42999999999999999 109.753 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.9 ttt180 -78.5 -58.27 3.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -1.159 . . . . 3.1200000000000001 109.624 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.18 -42.58 86.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.862 . . . . 2.2200000000000002 109.625 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.7 -41.52 95.36 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.291 -0.88 . . . . 3.5 109.522 -179.788 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.8 t80 -55.51 -56.05 24.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.409 -0.807 . . . . 0.5 109.977 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.31 -37.17 46.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 110.078 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.68 80.86 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.141 -0.975 . . . . 1.1399999999999999 110.279 -179.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.1 -52.47 64.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.944 . . . . 0.32000000000000001 109.417 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -50.7 -39.72 52.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 2.96 109.707 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.74 -43.25 94.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 1.75 109.991 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.14 -43.47 98.76 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 1.0800000000000001 109.541 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -58.18 -48.07 81.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 1.22 109.948 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.81 -34.38 75.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.941 . . . . 1.73 109.821 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.47 -49.02 79.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 109.935 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.58 -41.9 98.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 1.1100000000000001 109.611 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.75 -38.55 78.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.501 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.512 HD22 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -63.8 -42.76 97.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.315 -0.866 . . . . 1.1699999999999999 109.722 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 11.9 ttmm -61.75 -39.96 93.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -0.829 . . . . 2.1499999999999999 109.105 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.16 -35.55 67.3 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.52 -0.737 . . . . 1.4399999999999999 109.587 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.63 63.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 1.3 109.687 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 1.3999999999999999 109.73 -179.867 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.3 0.572 . . . . 1.7 109.561 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -95.37 161.22 14.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.287 -0.883 . . . . 1.04 109.457 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.04 -168.72 2.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 0.65000000000000002 109.709 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.3 p -152.16 160.55 43.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 1.1399999999999999 109.411 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.72 129.87 14.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 1.0900000000000001 109.438 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 41.9 tt0 -86.41 129.64 34.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.348 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 341' ' ' PHE . 49.3 mt -123.76 116.68 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 1.1499999999999999 109.43 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 148.87 43.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.231 -0.918 . . . . 2.79 109.595 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 133.53 5.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.601 -1.399 . . . . 0.45000000000000001 109.601 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 49.3 ttt180 -79.27 -52.34 8.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.309 -1.112 . . . . 3.1600000000000001 109.496 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.672 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 8.7 tpp180 -62.46 -44.04 97.36 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.216 -0.928 . . . . 3.54 109.341 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.2 -48.86 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.362 -0.836 . . . . 0.5 109.51 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.25 42.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -0.852 . . . . 1.6599999999999999 109.653 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.481 ' SD ' ' CG ' ' D' ' 340' ' ' MET . 14.3 ttp -61.86 -47.41 85.14 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.178 -0.951 . . . . 1.1499999999999999 109.826 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' A' ' 332' ' ' ILE . 24.2 m-85 -61.41 -50.96 70.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 0.34000000000000002 109.308 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.28 -36.53 42.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.414 -0.804 . . . . 2.9399999999999999 109.716 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.2 -51.04 71.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.16 -0.962 . . . . 1.74 109.776 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.06 -32.97 72.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 108.947 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.4 -53.09 61.75 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.393 -0.817 . . . . 1.22 109.76 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.15 -36.85 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.377 -0.827 . . . . 1.72 110.157 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.79 -53.36 58.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 1.0700000000000001 110.218 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.467 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 66.4 mt -60.77 -40.74 93.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 1.0800000000000001 109.82 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.06 -35.42 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.288 -0.883 . . . . 1.9099999999999999 109.83 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.02 -45.95 86.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.1499999999999999 109.677 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.53 -48.13 80.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 2.1400000000000001 109.272 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -31.33 65.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.474 -0.766 . . . . 1.4299999999999999 109.536 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.75 80.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.3 109.627 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.97 . . . . 1.4199999999999999 109.614 -179.874 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.271 0.558 . . . . 1.6100000000000001 109.664 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.25 161.3 14.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.96999999999999997 109.47 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.3 m-85 -140.11 -168.76 2.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.59999999999999998 109.606 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.4 p -152.22 160.35 43.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.332 -0.855 . . . . 1.1000000000000001 109.472 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.54 129.86 14.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 1.1000000000000001 109.518 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.39 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.829 . . . . 1.3600000000000001 109.348 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' B' ' 341' ' ' PHE . 49.1 mt -123.82 116.7 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.44 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 148.93 42.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.873 . . . . 2.79 109.62 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.33 133.5 5.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.664 -1.374 . . . . 0.47999999999999998 109.664 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.457 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 49.1 ttt180 -79.19 -52.5 8.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -1.141 . . . . 3.2200000000000002 109.424 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.08 -44.06 91.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.319 -0.863 . . . . 2.21 109.739 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 8.7 tpp180 -62.41 -44.05 97.37 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.273 -0.892 . . . . 3.5499999999999998 109.381 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.28 -48.79 73.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.373 -0.829 . . . . 0.52000000000000002 109.527 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -51.39 -36.21 42.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 1.6799999999999999 109.68 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -61.95 -47.34 85.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 1.1499999999999999 109.86 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.1 m-85 -61.32 -51.03 70.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.216 -0.927 . . . . 0.33000000000000002 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.25 -36.63 42.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 3.02 109.664 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -60.13 -51.16 70.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.095 -1.003 . . . . 1.75 109.711 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.99 -32.84 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 1.0700000000000001 108.99 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.57 -53.03 62.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.478 -0.764 . . . . 1.21 109.772 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.0 -36.99 85.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 1.6899999999999999 110.178 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.73 -53.45 57.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 1.0600000000000001 110.175 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.452 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 66.1 mt -60.75 -40.73 93.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 1.0800000000000001 109.778 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -61.06 -35.51 77.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.206 -0.934 . . . . 1.9299999999999999 109.772 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.91 -46.02 86.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.264 -0.898 . . . . 1.1399999999999999 109.68 -179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.52 -48.21 80.56 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 2.1899999999999999 109.231 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -31.19 65.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.605 -0.684 . . . . 1.4299999999999999 109.541 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.71 80.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 1.3100000000000001 109.686 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.249 -0.907 . . . . 1.3999999999999999 109.643 -179.899 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.308 0.575 . . . . 2.1099999999999999 109.617 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -95.33 161.31 14.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.322 -0.861 . . . . 1.01 109.339 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.9 m-85 -140.13 -168.74 2.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 0.57999999999999996 109.618 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 9.2 p -152.23 160.6 43.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.1599999999999999 109.363 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.71 129.83 14.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.1699999999999999 109.466 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.42 129.57 34.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.8100000000000001 109.383 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' C' ' 341' ' ' PHE . 49.7 mt -123.72 116.73 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.226 -0.921 . . . . 1.1299999999999999 109.337 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 148.89 43.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 2.8199999999999998 109.557 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.44 133.49 5.87 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.601 -1.4 . . . . 0.45000000000000001 109.601 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 49.2 ttt180 -79.22 -52.4 8.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -1.146 . . . . 3.0800000000000001 109.494 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.06 -44.13 91.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.405 -0.81 . . . . 2.54 109.64 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 8.8 tpp180 -62.36 -44.11 97.23 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.855 . . . . 4.1100000000000003 109.317 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.7 t80 -55.16 -48.89 73.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -0.829 . . . . 0.56999999999999995 109.516 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.53 -36.01 43.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.413 -0.804 . . . . 1.6599999999999999 109.697 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.07 -47.28 85.38 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.206 -0.934 . . . . 1.29 109.79 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.478 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.43 -51.01 70.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.168 -0.957 . . . . 0.40000000000000002 109.249 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.19 -36.62 42.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.306 -0.871 . . . . 3.8500000000000001 109.766 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.19 -51.07 71.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 1.78 109.73 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.11 -32.83 72.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 1.1699999999999999 108.898 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -60.62 -52.92 63.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.435 -0.791 . . . . 1.2 109.722 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.21 -36.86 85.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.826 . . . . 2.1200000000000001 110.176 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.42 58.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 110.139 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.402 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 66.4 mt -60.69 -40.8 93.53 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.208 -0.932 . . . . 1.1399999999999999 109.748 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.04 -35.44 76.89 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.251 -0.906 . . . . 2.0899999999999999 109.905 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.97 -45.97 86.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.173 -0.954 . . . . 1.3799999999999999 109.735 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.46 -48.28 80.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 2.6800000000000002 109.156 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -31.21 65.08 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.515 -0.741 . . . . 1.3400000000000001 109.478 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.67 80.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 1.3 109.636 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.16 -0.962 . . . . 1.8 109.643 -179.879 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.236 0.541 . . . . 1.6699999999999999 109.587 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.3 161.27 14.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.89 . . . . 1.01 109.381 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.7 m-85 -140.06 -168.66 2.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.221 -0.924 . . . . 0.63 109.662 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 9.6 p -152.33 160.45 43.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 1.1299999999999999 109.468 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.55 129.88 14.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 1.1000000000000001 109.41 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.34 129.66 34.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.905 . . . . 1.3700000000000001 109.282 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' D' ' 341' ' ' PHE . 48.5 mt -123.78 116.62 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 1.1499999999999999 109.475 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 148.91 43.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.77 109.567 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.34 133.55 5.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.731 -1.348 . . . . 0.42999999999999999 109.731 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 49.1 ttt180 -79.26 -52.44 8.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -1.108 . . . . 3.1200000000000001 109.417 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.03 -44.14 91.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.708 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 8.7 tpp180 -62.36 -44.16 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 3.5 109.324 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.3 t80 -55.23 -48.73 73.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.5 109.597 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.19 42.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 1.6899999999999999 109.701 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.481 ' CG ' ' SD ' ' A' ' 340' ' ' MET . 14.3 ttp -62.06 -47.29 85.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.867 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD2' HG22 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.34 -50.96 70.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.847 . . . . 0.32000000000000001 109.377 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.24 -36.66 42.95 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.367 -0.833 . . . . 2.96 109.664 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.23 -50.99 71.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 1.75 109.715 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.15 -32.79 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 108.968 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -60.49 -53.12 61.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.41 -0.806 . . . . 1.22 109.765 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.04 -36.96 85.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 1.73 110.109 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.8 -53.43 58.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.008 . . . . 1.0700000000000001 110.112 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.455 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 66.8 mt -60.78 -40.73 93.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 1.1100000000000001 109.692 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.14 -35.39 76.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 1.9099999999999999 109.821 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.97 -45.95 86.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.184 -0.947 . . . . 1.1699999999999999 109.725 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.62 -48.19 80.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 2.1499999999999999 109.14 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -31.27 65.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.546 -0.721 . . . . 1.4399999999999999 109.501 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -35.67 80.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.32 -0.863 . . . . 1.3 109.674 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.184 -0.947 . . . . 1.3999999999999999 109.586 -179.909 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.289 -0.634 . . . . 1.7 109.289 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -92.59 153.43 19.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 1.04 109.574 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.7 m-85 -137.76 -163.39 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.65000000000000002 109.262 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.0 p -154.98 156.61 36.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 109.672 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -147.36 129.76 15.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.304 -0.872 . . . . 1.0900000000000001 109.299 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.43 134.78 33.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.3700000000000001 109.753 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.438 HD12 ' CB ' ' A' ' 341' ' ' PHE . 29.7 mt -123.64 115.47 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 1.1499999999999999 109.332 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 147.34 43.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 2.79 109.76 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 91.88 136.88 7.41 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.737 -1.345 . . . . 0.45000000000000001 109.737 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.7 ttm180 -73.59 -53.14 11.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -1.104 . . . . 3.1600000000000001 109.389 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.93 -42.13 84.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 2.2200000000000002 109.172 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.36 -46.97 82.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.409 -0.807 . . . . 3.54 109.755 -179.841 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.7 t80 -55.41 -55.79 27.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.46 -0.775 . . . . 0.5 109.747 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -50.85 -36.51 38.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 110.002 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.4 -51.79 64.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.181 -0.949 . . . . 1.1499999999999999 110.393 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 332' ' ' ILE . 26.4 m-85 -60.76 -53.4 57.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.109 -0.994 . . . . 0.34000000000000002 109.436 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.466 ' CG ' ' NH1' ' A' ' 342' ' ' ARG . 0.3 OUTLIER -50.16 -34.77 23.58 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.422 -0.799 . . . . 2.9399999999999999 109.835 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -50.89 71.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.946 -1.096 . . . . 1.74 109.758 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.402 HD21 HD21 ' B' ' 344' ' ' LEU . 62.8 mt -61.64 -33.6 74.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.039 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.49 -54.59 43.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.388 -0.82 . . . . 1.22 109.908 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -63.82 -33.32 75.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.344 -0.847 . . . . 1.72 110.089 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' B' ' 347' ' ' ALA . . . -61.0 -54.11 49.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 109.838 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.21 -41.6 97.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 1.0800000000000001 109.423 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.6 -33.01 72.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 1.9099999999999999 109.383 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.7 -46.11 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.45 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 6.3 ttmm -61.55 -44.28 97.33 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 108.956 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.95 -32.5 66.08 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 1.4299999999999999 109.561 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -47.6 71.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.323 -0.861 . . . . 1.3 109.507 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.371 -0.83 . . . . 1.4199999999999999 109.576 179.949 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.309 -0.626 . . . . 1.6100000000000001 109.309 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.21 153.52 19.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.96999999999999997 109.635 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.0 m-85 -137.78 -163.35 1.43 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.249 -0.907 . . . . 0.59999999999999998 109.231 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.421 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.3 p -154.91 156.58 36.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.97 . . . . 1.1000000000000001 109.73 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.33 129.74 15.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 109.312 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.27 134.84 33.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 1.3600000000000001 109.802 -179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.434 HD12 ' CB ' ' B' ' 341' ' ' PHE . 30.0 mt -123.71 115.57 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.1699999999999999 109.346 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 147.34 43.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 2.79 109.712 -179.774 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 91.95 136.79 7.4 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.769 -1.333 . . . . 0.47999999999999998 109.769 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttm180 -73.63 -53.01 11.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.407 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -42.0 84.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 2.21 109.108 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.46 -46.94 83.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.519 -0.738 . . . . 3.5499999999999998 109.832 -179.785 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -55.37 -55.76 27.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.356 -0.84 . . . . 0.52000000000000002 109.828 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.73 -36.54 36.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 1.6799999999999999 110.095 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.52 -51.71 64.33 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.386 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.434 ' CB ' HD12 ' B' ' 332' ' ' ILE . 26.3 m-85 -60.82 -53.32 58.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.074 -1.016 . . . . 0.33000000000000002 109.408 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.457 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.3 OUTLIER -50.22 -34.8 24.14 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.493 -0.754 . . . . 3.02 109.841 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.95 70.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.089 -1.007 . . . . 1.75 109.73 -179.647 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.402 HD21 HD21 ' A' ' 344' ' ' LEU . 62.5 mt -61.47 -33.75 74.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.903 . . . . 1.0700000000000001 109.024 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -60.4 -54.56 44.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.443 -0.786 . . . . 1.21 110.001 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 34.1 mm-40 -63.89 -33.42 75.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 1.6899999999999999 110.081 -179.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -61.0 -53.99 50.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 1.0600000000000001 109.852 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.2 -41.74 97.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.329 -0.857 . . . . 1.0800000000000001 109.388 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.41 -33.05 71.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.201 -0.937 . . . . 1.9299999999999999 109.452 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.8 -46.08 83.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.391 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.4 -44.39 97.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.376 -0.827 . . . . 2.1899999999999999 108.97 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.52 65.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.68 -0.638 . . . . 1.4299999999999999 109.578 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.63 71.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.406 -0.809 . . . . 1.3100000000000001 109.499 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 1.3999999999999999 109.608 179.918 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.313 -0.625 . . . . 2.1099999999999999 109.313 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -92.54 153.5 19.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 1.01 109.549 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.0 m-85 -137.77 -163.38 1.43 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.57999999999999996 109.247 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.4 p -154.93 156.65 36.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 1.1599999999999999 109.66 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -147.38 129.87 15.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.1699999999999999 109.253 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.44 134.77 33.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 1.8100000000000001 109.746 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.435 HD12 ' CB ' ' C' ' 341' ' ' PHE . 29.6 mt -123.63 115.6 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.314 -0.866 . . . . 1.1299999999999999 109.34 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.86 147.25 43.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 2.8199999999999998 109.717 -179.807 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 91.89 136.85 7.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.824 -1.31 . . . . 0.45000000000000001 109.824 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 21.8 ttm180 -73.59 -53.07 11.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.196 . . . . 3.0800000000000001 109.374 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.02 -41.99 84.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.54 109.182 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.501 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.45 -46.99 82.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 4.1100000000000003 109.738 -179.802 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.34 -55.78 27.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.56999999999999995 109.751 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.88 -36.52 38.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 109.974 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.33 -51.82 64.41 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.091 -1.006 . . . . 1.29 110.38 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.435 ' CB ' HD12 ' C' ' 332' ' ' ILE . 26.5 m-85 -60.84 -53.28 59.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.103 -0.998 . . . . 0.40000000000000002 109.385 -179.569 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.451 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.31 -34.72 24.6 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.4 -0.813 . . . . 3.8500000000000001 109.88 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -50.96 70.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.027 -1.046 . . . . 1.78 109.78 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.49 -33.71 74.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.248 -0.908 . . . . 1.1699999999999999 109.097 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.41 -54.62 43.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.455 -0.778 . . . . 1.2 109.941 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 34.0 mm-40 -63.79 -33.41 75.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 2.1200000000000001 110.07 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -54.06 49.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.745 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.07 -41.76 97.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.311 -0.868 . . . . 1.1399999999999999 109.511 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.53 -32.95 71.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.457 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.78 -46.03 83.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 1.3799999999999999 109.457 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.58 -44.2 97.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.416 -0.802 . . . . 2.6800000000000002 108.947 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.97 -32.59 66.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.539 -0.726 . . . . 1.3400000000000001 109.512 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -47.82 71.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 1.3 109.489 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 1.8 109.622 179.937 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.286 -0.635 . . . . 1.6699999999999999 109.286 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -92.43 153.49 19.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 1.01 109.57 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.9 m-85 -137.82 -163.31 1.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.63 109.305 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 20.2 p -154.9 156.81 36.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 1.1299999999999999 109.615 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -147.56 129.73 15.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 1.1000000000000001 109.318 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.35 134.96 33.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -0.872 . . . . 1.3700000000000001 109.73 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.436 HD12 ' CB ' ' D' ' 341' ' ' PHE . 30.7 mt -123.85 115.65 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 1.1499999999999999 109.29 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.76 147.38 43.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 2.77 109.746 -179.814 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 91.79 136.93 7.39 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.752 -1.339 . . . . 0.42999999999999999 109.752 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 21.6 ttm180 -73.55 -53.17 11.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -1.149 . . . . 3.1200000000000001 109.374 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -41.92 84.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.248 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.42 -46.96 82.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.469 -0.77 . . . . 3.5 109.732 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.7 t80 -55.46 -55.69 28.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.513 -0.742 . . . . 0.5 109.825 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.77 -36.59 37.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 1.6899999999999999 110.068 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.43 -51.65 64.82 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.12 -0.987 . . . . 1.1399999999999999 110.369 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CB ' HD12 ' D' ' 332' ' ' ILE . 26.5 m-85 -60.86 -53.35 58.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.32000000000000001 109.412 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.435 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.15 -34.86 23.71 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.429 -0.795 . . . . 2.96 109.841 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.97 70.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.039 . . . . 1.75 109.672 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.49 -33.7 74.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.038 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.54 -54.54 44.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.466 -0.771 . . . . 1.22 109.898 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.88 -33.3 75.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.73 110.049 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.18 48.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 1.0700000000000001 109.757 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.1 -41.59 96.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.378 -0.826 . . . . 1.1100000000000001 109.473 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.7 -32.91 72.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.9099999999999999 109.445 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.8 -46.12 83.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.883 . . . . 1.1699999999999999 109.376 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 6.3 ttmm -61.48 -44.33 97.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.449 -0.782 . . . . 2.1499999999999999 108.943 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.583 -0.698 . . . . 1.4399999999999999 109.528 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.336 -0.852 . . . . 1.3 109.43 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.233 -0.917 . . . . 1.3999999999999999 109.587 -179.971 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.443 -0.577 . . . . 1.7 109.443 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.78 158.64 15.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 1.04 109.584 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 77.6 m-85 -138.65 -167.0 2.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.65000000000000002 109.641 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 1.6 p -153.57 157.75 40.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.168 -0.957 . . . . 1.1399999999999999 109.564 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.9 tp -149.26 131.62 15.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 1.0900000000000001 109.485 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.8 tt0 -86.58 131.49 34.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 1.3700000000000001 109.4 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.6 mt -123.92 119.29 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 1.1499999999999999 109.57 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.43 148.82 42.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.314 -0.866 . . . . 2.79 109.498 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.41 136.01 6.34 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.771 -1.332 . . . . 0.45000000000000001 109.771 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -80.76 -51.5 8.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -1.156 . . . . 3.1600000000000001 109.496 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.26 -47.7 82.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 2.2200000000000002 109.438 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.7 -42.58 97.47 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.29 -0.881 . . . . 3.54 109.558 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.7 t80 -54.49 -57.24 12.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.433 -0.792 . . . . 0.5 109.544 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.49 -34.6 36.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.631 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.59 -49.28 73.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 110.098 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.99 -52.56 64.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.163 -0.96 . . . . 0.34000000000000002 109.258 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.48 -39.86 49.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.9399999999999999 109.704 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.43 -43.84 98.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.942 . . . . 1.74 110.014 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.64 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.397 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.81 -49.62 76.03 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.374 -0.829 . . . . 1.22 109.685 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.453 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.72 110.01 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.59 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.106 -0.996 . . . . 1.0700000000000001 109.986 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.455 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 30.0 mt -60.89 -42.66 98.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.635 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.2 -34.26 73.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 1.9099999999999999 109.614 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.411 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 2.0 tt -64.51 -45.97 84.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 1.1499999999999999 109.409 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.06 -43.99 97.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.542 -0.724 . . . . 2.1400000000000001 109.188 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -37.63 73.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.741 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.05 67.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 1.3 109.522 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.4199999999999999 109.384 -179.893 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.451 -0.574 . . . . 1.6100000000000001 109.451 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -93.66 158.64 15.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.96999999999999997 109.633 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.1 m-85 -138.61 -167.01 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.917 . . . . 0.59999999999999998 109.546 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.6 p -153.59 157.7 40.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -0.989 . . . . 1.1000000000000001 109.543 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.0 tp -149.27 131.61 15.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.399 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.7 tt0 -86.68 131.56 34.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.385 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -123.85 119.3 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 1.1699999999999999 109.575 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.47 148.61 43.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.243 -0.911 . . . . 2.79 109.53 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.67 136.02 6.47 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.67 -1.372 . . . . 0.47999999999999998 109.67 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.58 8.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -1.082 . . . . 3.2200000000000002 109.538 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -47.78 82.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 2.21 109.458 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.61 -42.67 97.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.317 -0.865 . . . . 3.5499999999999998 109.541 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' D' ' 329' ' ' THR . 44.8 t80 -54.53 -57.2 12.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.429 -0.794 . . . . 0.52000000000000002 109.517 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -51.35 -34.65 34.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.6799999999999999 109.742 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.57 -49.35 73.74 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.252 -0.905 . . . . 1.1499999999999999 110.092 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.92 -52.6 64.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.33000000000000002 109.244 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.54 -39.95 50.52 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.359 -0.838 . . . . 3.02 109.539 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.33 -43.91 98.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.127 -0.983 . . . . 1.75 109.981 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.57 -43.34 99.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.456 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.9 -49.56 76.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.367 -0.833 . . . . 1.21 109.655 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.345 -0.847 . . . . 1.6899999999999999 110.029 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.8 -53.58 55.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 1.0600000000000001 110.049 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.96 -42.72 98.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.579 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.1 -34.22 73.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 1.9299999999999999 109.651 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.403 HD22 ' O ' ' B' ' 350' ' ' LEU . 2.0 tt -64.62 -45.91 84.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.85 . . . . 1.1399999999999999 109.487 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.9 97.86 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.434 -0.791 . . . . 2.1899999999999999 109.189 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -37.66 73.24 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.452 -0.78 . . . . 1.4299999999999999 109.688 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.06 67.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 1.3100000000000001 109.495 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.3999999999999999 109.468 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.519 -0.548 . . . . 2.1099999999999999 109.519 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -93.7 158.69 15.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 1.01 109.506 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.3 m-85 -138.67 -167.02 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.908 . . . . 0.57999999999999996 109.586 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 1.6 p -153.66 157.63 39.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.228 -0.92 . . . . 1.1599999999999999 109.487 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -149.16 131.65 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.474 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.52 131.5 34.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.928 . . . . 1.8100000000000001 109.365 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -123.95 119.34 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.935 . . . . 1.1299999999999999 109.583 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 148.69 42.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.151 -0.968 . . . . 2.8199999999999998 109.487 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.53 136.09 6.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.76 -1.336 . . . . 0.45000000000000001 109.76 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -80.7 -51.69 8.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.294 -1.121 . . . . 3.0800000000000001 109.539 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.13 -47.66 82.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.291 -0.88 . . . . 2.54 109.509 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttm180 -60.78 -42.55 97.75 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.313 -0.867 . . . . 4.1100000000000003 109.602 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 329' ' ' THR . 44.4 t80 -54.68 -57.15 12.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.355 -0.84 . . . . 0.56999999999999995 109.465 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.39 -34.6 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.695 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.63 -49.25 74.0 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.351 -0.843 . . . . 1.29 110.095 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.01 -52.61 64.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.40000000000000002 109.226 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.39 -39.97 48.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -0.764 . . . . 3.8500000000000001 109.667 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.47 -43.7 98.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.78 110.033 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.68 -43.36 99.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 1.1699999999999999 109.407 -179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.87 -49.58 76.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 1.2 109.674 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.8 -31.98 73.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 2.1200000000000001 110.068 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.79 -53.67 54.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.151 -0.968 . . . . 1.0700000000000001 110.007 -179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.82 -42.79 98.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 1.1399999999999999 109.559 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.18 -34.24 73.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 2.0899999999999999 109.612 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 2.0 tt -64.6 -45.94 84.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.915 . . . . 1.3799999999999999 109.43 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.99 97.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.533 -0.729 . . . . 2.6800000000000002 109.179 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -37.57 73.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.548 -0.72 . . . . 1.3400000000000001 109.734 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -26.96 66.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 1.3 109.55 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.194 -0.942 . . . . 1.8 109.589 179.957 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.46 -0.571 . . . . 1.6699999999999999 109.46 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.64 158.69 15.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.174 -0.954 . . . . 1.01 109.569 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.2 m-85 -138.64 -167.03 2.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.63 109.653 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.6 p -153.57 157.71 40.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.935 . . . . 1.1299999999999999 109.58 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.9 tp -149.21 131.6 15.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.435 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.7 tt0 -86.61 131.5 34.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.915 . . . . 1.3700000000000001 109.409 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -123.89 119.35 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -0.928 . . . . 1.1499999999999999 109.552 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.46 148.67 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.77 109.579 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.56 136.05 6.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.762 -1.335 . . . . 0.42999999999999999 109.762 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.67 8.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -1.182 . . . . 3.1200000000000001 109.494 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.18 -47.66 82.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.457 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.76 -42.53 97.64 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.376 -0.828 . . . . 3.5 109.572 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.5 t80 -54.59 -57.18 12.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.5 109.495 -179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.37 -34.63 35.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 1.6899999999999999 109.781 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.63 -49.35 73.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.19 -0.944 . . . . 1.1399999999999999 110.079 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.222 -0.924 . . . . 0.32000000000000001 109.189 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.36 -40.06 48.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.404 -0.81 . . . . 2.96 109.638 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.35 -43.88 98.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.75 110.023 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.56 -43.35 99.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 1.0800000000000001 109.501 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.92 -49.47 76.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 1.22 109.648 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.456 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -32.05 73.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.297 -0.877 . . . . 1.73 109.972 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.71 54.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 110.006 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.88 -42.62 98.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.1100000000000001 109.61 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.33 -34.1 73.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.562 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 2.0 tt -64.7 -45.84 84.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.415 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.18 -43.86 97.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.461 -0.774 . . . . 2.1499999999999999 109.163 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -37.66 73.36 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.596 -0.69 . . . . 1.4399999999999999 109.581 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.12 67.11 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 1.3 109.495 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.239 -0.913 . . . . 1.3999999999999999 109.595 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.28 0.562 . . . . 1.7 109.552 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.0 m-85 -93.33 156.86 16.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.94 . . . . 1.04 109.394 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.7 m-85 -139.47 -169.84 2.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.65000000000000002 109.584 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 73.7 p -153.55 158.56 41.42 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.877 . . . . 1.1399999999999999 109.442 -179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 329' ' ' THR . 18.7 tp -149.52 133.91 17.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 1.0900000000000001 109.601 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.92 126.58 34.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.883 . . . . 1.3700000000000001 109.224 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.1 mt -123.71 111.05 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.141 -0.974 . . . . 1.1499999999999999 109.62 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.3 40.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.29 -0.881 . . . . 2.79 109.456 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.21 130.0 6.63 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.771 -1.332 . . . . 0.45000000000000001 109.771 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.97 1.33 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -1.096 . . . . 3.1600000000000001 109.504 179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.64 87.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.384 -0.823 . . . . 2.2200000000000002 109.669 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.433 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 3.3 ttt180 -60.53 -43.52 97.08 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.257 -0.902 . . . . 3.54 109.667 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 36.1 t80 -55.07 -56.31 21.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.5 109.633 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -51.15 -33.05 25.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 1.6599999999999999 109.868 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.15 -50.04 71.96 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.178 -0.951 . . . . 1.1499999999999999 110.04 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.23 -47.6 85.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.938 . . . . 0.34000000000000002 109.171 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.06 -42.24 62.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.381 -0.824 . . . . 2.9399999999999999 109.854 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.57 -40.96 93.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 1.74 110.025 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.36 -46.0 90.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.484 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -58.19 -47.13 84.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.894 . . . . 1.22 109.831 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -33.98 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.305 -0.872 . . . . 1.72 109.935 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.89 67.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 1.0700000000000001 110.076 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.32 -41.83 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.846 . . . . 1.0800000000000001 109.72 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.67 -37.29 78.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.783 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.31 -45.25 88.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 1.1499999999999999 109.659 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.54 -36.57 80.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 2.1400000000000001 108.951 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -56.52 -36.36 69.12 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.409 -0.807 . . . . 1.4299999999999999 109.465 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.09 87.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.386 -0.821 . . . . 1.3 109.475 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 1.4199999999999999 109.588 179.942 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.476 -0.565 . . . . 1.6100000000000001 109.476 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.0 m-85 -93.43 156.76 16.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.367 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.59999999999999998 109.525 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.9 p -153.41 158.43 41.43 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 1.1000000000000001 109.536 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.0 tp -149.41 134.01 17.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.532 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.88 126.52 34.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.166 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -123.67 110.95 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.119 -0.988 . . . . 1.1699999999999999 109.71 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.35 152.19 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.226 -0.922 . . . . 2.79 109.452 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.29 130.03 6.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.807 -1.317 . . . . 0.47999999999999998 109.807 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.98 1.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -1.132 . . . . 3.2200000000000002 109.504 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.73 87.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.456 -0.778 . . . . 2.21 109.694 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.43 -43.62 96.6 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.261 -0.899 . . . . 3.5499999999999998 109.69 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 35.8 t80 -55.09 -56.14 23.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.52000000000000002 109.734 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.33 -32.9 26.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.333 -0.855 . . . . 1.6799999999999999 109.904 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.26 -49.95 72.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 110.096 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.18 -47.68 85.06 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.097 -1.002 . . . . 0.33000000000000002 109.213 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.03 -42.18 62.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 3.02 109.891 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -60.58 -41.04 93.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.096 -1.002 . . . . 1.75 109.959 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -46.01 90.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.588 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -58.17 -47.23 84.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.872 . . . . 1.21 109.803 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -34.04 75.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.834 . . . . 1.6899999999999999 110.031 -179.663 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -51.93 67.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 1.0600000000000001 110.129 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.14 -42.02 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.854 . . . . 1.0800000000000001 109.719 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.58 -37.28 78.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.758 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.3 -45.31 88.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 1.1399999999999999 109.62 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.43 -36.71 81.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 2.1899999999999999 108.866 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.43 -36.33 68.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.523 -0.735 . . . . 1.4299999999999999 109.503 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.19 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 1.3100000000000001 109.407 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.3999999999999999 109.573 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.282 0.563 . . . . 2.1099999999999999 109.587 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.35 156.82 16.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 1.01 109.401 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -139.42 -169.92 2.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.199 -0.938 . . . . 0.57999999999999996 109.488 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 74.7 p -153.51 158.49 41.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.219 -0.926 . . . . 1.1599999999999999 109.549 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.0 tp -149.59 133.93 17.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.347 -0.845 . . . . 1.1699999999999999 109.497 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.75 126.54 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 109.241 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.68 111.08 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.143 -0.973 . . . . 1.1299999999999999 109.679 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.17 40.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.323 -0.861 . . . . 2.8199999999999998 109.453 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.37 130.02 6.66 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.754 -1.338 . . . . 0.45000000000000001 109.754 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 16.2 ttm180 -74.3 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.347 -1.09 . . . . 3.0800000000000001 109.428 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -41.62 87.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.406 -0.809 . . . . 2.54 109.736 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.58 -43.59 97.18 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.281 -0.887 . . . . 4.1100000000000003 109.649 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -55.15 -56.17 22.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.56999999999999995 109.644 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -51.34 -32.87 27.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 1.6599999999999999 109.87 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.24 -50.01 71.89 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.205 -0.934 . . . . 1.29 110.069 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.17 -47.67 85.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.40000000000000002 109.157 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.08 -42.22 63.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.395 -0.815 . . . . 3.8500000000000001 109.811 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.53 -41.02 93.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 1.78 110.042 -179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.36 -45.91 91.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 1.1699999999999999 109.56 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -58.23 -47.13 84.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.2 109.742 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -33.96 75.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.865 . . . . 2.1200000000000001 109.914 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -52.04 66.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.933 . . . . 1.0700000000000001 110.04 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.433 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 35.7 mt -61.11 -42.07 97.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.704 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.5 -37.31 77.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 2.0899999999999999 109.808 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 15.8 tp -64.2 -45.43 88.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 1.3799999999999999 109.612 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -61.42 -36.63 80.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 2.6800000000000002 108.92 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.41 -36.37 68.84 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.585 -0.697 . . . . 1.3400000000000001 109.481 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.28 87.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 1.3 109.451 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.328 -0.858 . . . . 1.8 109.556 -179.942 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.581 -0.526 . . . . 1.6699999999999999 109.581 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.31 156.75 16.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 1.01 109.497 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.95 2.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.63 109.618 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.5 p -153.45 158.5 41.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 1.1299999999999999 109.51 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.1 tp -149.49 134.0 17.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.1000000000000001 109.547 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.87 126.51 34.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 109.187 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -123.7 111.04 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 109.66 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.46 152.08 40.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.938 . . . . 2.77 109.41 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.38 130.11 6.69 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.709 -1.357 . . . . 0.42999999999999999 109.709 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 16.2 ttm180 -74.39 -62.84 1.38 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -1.145 . . . . 3.1200000000000001 109.468 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -41.66 87.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 2.2200000000000002 109.75 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.49 -43.5 96.92 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.126 -0.984 . . . . 3.5 109.77 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 36.0 t80 -55.07 -56.16 22.91 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.295 -0.878 . . . . 0.5 109.737 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.41 -32.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.6899999999999999 109.896 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.3 -50.05 71.59 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.163 -0.96 . . . . 1.1399999999999999 109.992 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.06 -47.68 85.23 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.251 -0.905 . . . . 0.32000000000000001 109.266 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.1 -42.17 63.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 2.96 109.885 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -60.6 -40.97 93.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.154 -0.967 . . . . 1.75 109.961 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.42 -45.85 91.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 1.0800000000000001 109.588 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.25 -47.09 84.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.22 109.802 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -33.95 75.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.875 . . . . 1.73 110.003 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.04 66.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 110.131 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.13 -42.05 97.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 1.1100000000000001 109.681 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.58 -37.23 77.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.9099999999999999 109.807 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 15.9 tp -64.24 -45.44 88.14 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.1699999999999999 109.63 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.35 -36.69 80.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.878 . . . . 2.1499999999999999 108.963 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -56.41 -36.29 68.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.578 -0.701 . . . . 1.4399999999999999 109.521 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.19 87.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 1.3 109.481 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 1.3999999999999999 109.632 179.948 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.341 -0.614 . . . . 1.7 109.341 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.5 m-85 -93.06 153.68 18.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.134 -0.979 . . . . 1.04 109.596 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.4 m-85 -139.32 -172.03 3.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.65000000000000002 109.597 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -153.15 160.16 42.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.388 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.95 131.34 16.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.905 . . . . 1.0900000000000001 109.52 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.23 132.3 34.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 109.383 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' A' ' 338' ' ' PHE . 65.6 mt -123.51 109.23 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 1.1499999999999999 109.479 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -73.64 116.88 14.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 2.79 109.194 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.54 4.21 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.476 -1.45 . . . . 0.45000000000000001 109.476 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.2 ttp180 -81.01 -57.0 3.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -1.121 . . . . 3.1600000000000001 109.634 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.45 -46.38 86.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -0.907 . . . . 2.2200000000000002 109.672 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.472 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.4 ttm180 -60.78 -41.58 95.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.253 -0.904 . . . . 3.54 109.506 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.5 t80 -55.12 -55.66 28.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.5 109.579 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.86 -37.98 54.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 1.6599999999999999 110.027 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.74 -46.53 87.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.236 -0.915 . . . . 1.1499999999999999 110.154 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.49 -51.12 69.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.34000000000000002 109.274 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.81 59.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.374 -0.829 . . . . 2.9399999999999999 109.761 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.84 -41.13 90.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.221 -0.925 . . . . 1.74 109.857 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.52 -44.89 95.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 1.0700000000000001 109.525 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.56 -47.5 84.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 1.22 109.977 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.88 -37.05 83.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 1.72 109.968 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.99 67.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.922 . . . . 1.0700000000000001 110.028 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.408 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 29.5 mt -61.38 -41.5 97.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.312 -0.868 . . . . 1.0800000000000001 109.647 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.78 -35.88 75.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.9099999999999999 109.56 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.01 -45.36 89.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.87 . . . . 1.1499999999999999 109.59 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.68 -43.27 99.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 2.1400000000000001 109.169 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.7 -31.19 64.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.636 -0.665 . . . . 1.4299999999999999 109.799 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.21 72.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.381 -0.824 . . . . 1.3 109.598 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 1.4199999999999999 109.563 -179.957 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.393 -0.595 . . . . 1.6100000000000001 109.393 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.6 m-85 -93.05 153.7 18.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.96999999999999997 109.594 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.5 m-85 -139.3 -171.91 3.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.59999999999999998 109.504 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 67.8 p -153.2 160.04 42.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 1.1000000000000001 109.376 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.83 131.33 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -0.895 . . . . 1.1000000000000001 109.611 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.13 132.2 34.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 1.3600000000000001 109.455 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.402 HG23 ' HA ' ' B' ' 338' ' ' PHE . 65.5 mt -123.49 109.15 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 1.1699999999999999 109.484 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.505 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -73.53 116.91 14.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 2.79 109.279 179.841 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.38 136.64 4.23 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.447 -1.461 . . . . 0.47999999999999998 109.447 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.2 ttp180 -81.13 -56.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.301 -1.117 . . . . 3.2200000000000002 109.731 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.56 -46.62 86.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.32 -0.862 . . . . 2.21 109.596 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.49 -41.71 94.83 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.164 -0.96 . . . . 3.5499999999999998 109.572 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.11 -55.56 29.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.52000000000000002 109.661 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.9 -37.96 54.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 1.6799999999999999 110.038 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.78 -46.54 87.54 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.185 -179.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.41 -51.1 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.33000000000000002 109.348 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.63 59.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 3.02 109.696 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.83 -41.23 90.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.1 -1.0 . . . . 1.75 109.852 -179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.574 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.55 -47.56 83.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.21 109.932 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.95 -36.98 83.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.29 -0.881 . . . . 1.6899999999999999 109.958 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.57 -51.98 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.272 -0.892 . . . . 1.0600000000000001 109.962 -179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.36 -41.53 97.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 1.0800000000000001 109.687 -179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.81 -35.86 75.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.291 -0.881 . . . . 1.9299999999999999 109.537 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.04 -45.28 89.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.643 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.79 -43.23 99.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.431 -0.793 . . . . 2.1899999999999999 109.059 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.78 -31.3 64.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.602 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -48.14 72.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 1.3100000000000001 109.618 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.285 -0.884 . . . . 1.3999999999999999 109.586 179.967 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.328 -0.619 . . . . 2.1099999999999999 109.328 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.5 m-85 -93.11 153.78 18.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.959 . . . . 1.01 109.577 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 79.0 m-85 -139.35 -171.95 3.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.57999999999999996 109.507 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 66.9 p -153.17 160.17 42.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.174 -0.954 . . . . 1.1599999999999999 109.401 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.88 131.27 16.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 1.1699999999999999 109.551 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -86.13 132.28 34.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.328 -0.857 . . . . 1.8100000000000001 109.391 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' C' ' 338' ' ' PHE . 65.5 mt -123.46 109.22 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 1.1299999999999999 109.516 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -73.68 117.05 15.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 2.8199999999999998 109.24 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.27 136.55 4.23 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.402 -1.479 . . . . 0.45000000000000001 109.402 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.469 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.2 ttp180 -81.06 -56.94 3.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -1.135 . . . . 3.0800000000000001 109.629 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -46.49 86.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.361 -0.837 . . . . 2.54 109.688 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.408 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.4 ttm180 -60.75 -41.55 95.62 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.246 -0.909 . . . . 4.1100000000000003 109.523 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.5 t80 -55.17 -55.62 29.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.351 -0.843 . . . . 0.56999999999999995 109.562 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.89 -37.99 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -0.825 . . . . 1.6599999999999999 110.026 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.7 -46.59 87.42 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.208 -0.933 . . . . 1.29 110.221 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.31 -51.14 70.12 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.174 -0.954 . . . . 0.40000000000000002 109.367 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -40.7 59.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.383 -0.823 . . . . 3.8500000000000001 109.752 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.77 -41.23 90.6 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.271 -0.893 . . . . 1.78 109.866 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.47 -45.05 94.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 1.1699999999999999 109.494 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.39 -47.63 83.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 1.2 110.023 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.97 -36.91 82.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 2.1200000000000001 109.946 -179.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.409 ' HB3' ' CB ' ' D' ' 347' ' ' ALA . . . -59.67 -51.83 68.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 110.038 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.472 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 29.0 mt -61.42 -41.46 97.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 109.682 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.8 -35.91 75.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.0899999999999999 109.595 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' D' ' 351' ' ' LYS . 10.6 tp -63.95 -45.31 89.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 1.3799999999999999 109.677 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.72 -43.38 98.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 2.6800000000000002 109.122 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.67 -31.13 64.11 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.541 -0.724 . . . . 1.3400000000000001 109.753 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.12 72.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.845 . . . . 1.3 109.556 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.917 . . . . 1.8 109.642 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.262 -0.644 . . . . 1.6699999999999999 109.262 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.5 m-85 -93.16 153.73 18.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 1.01 109.528 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.4 m-85 -139.4 -171.97 3.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.63 109.455 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 66.9 p -153.23 160.1 42.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.878 . . . . 1.1299999999999999 109.406 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.8 131.24 16.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.635 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.17 132.3 34.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.32 -0.863 . . . . 1.3700000000000001 109.369 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' D' ' 338' ' ' PHE . 65.3 mt -123.5 109.21 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 1.1499999999999999 109.506 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -73.62 116.87 14.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 2.77 109.331 179.854 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.58 4.22 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.443 -1.463 . . . . 0.42999999999999999 109.443 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.2 ttp180 -80.93 -56.95 3.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -1.131 . . . . 3.1200000000000001 109.72 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.37 -46.7 85.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.279 -0.888 . . . . 2.2200000000000002 109.673 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.54 -41.67 94.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.251 -0.906 . . . . 3.5 109.509 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.6 t80 -55.16 -55.58 29.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 0.5 109.608 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.0 -37.89 54.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 1.6899999999999999 109.971 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.81 -46.55 87.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 110.181 -179.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.31 -51.26 69.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.141 -0.975 . . . . 0.32000000000000001 109.341 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.65 59.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.429 -0.795 . . . . 2.96 109.756 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.237 -0.914 . . . . 1.75 109.745 -179.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.46 -44.97 95.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 1.0800000000000001 109.508 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -58.46 -47.66 83.28 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.96 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -36.92 82.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 1.73 110.017 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' C' ' 347' ' ' ALA . . . -59.68 -51.77 68.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 110.065 -179.612 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.51 -41.39 97.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 1.1100000000000001 109.663 -179.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.96 -35.72 75.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 1.9099999999999999 109.587 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.05 -45.32 89.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 1.1699999999999999 109.627 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.432 ' HA ' HD23 ' C' ' 350' ' ' LEU . 35.5 ttmt -61.71 -43.25 99.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 2.1499999999999999 109.136 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.83 -31.21 64.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.62 -0.675 . . . . 1.4399999999999999 109.669 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -48.17 72.78 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.896 . . . . 1.3 109.637 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 1.3999999999999999 109.621 -179.987 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.289 0.566 . . . . 1.7 109.569 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.19 153.21 17.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 1.04 109.766 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.46 ' O ' ' HG3' ' C' ' 331' ' ' GLN . 84.5 m-85 -140.91 -173.57 3.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.65000000000000002 109.579 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.8 p -152.09 157.32 41.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 1.1399999999999999 109.34 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -148.59 131.06 15.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.271 -0.893 . . . . 1.0900000000000001 109.406 -179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.78 131.88 34.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 1.3700000000000001 109.2 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.416 HD12 ' CG ' ' A' ' 341' ' ' PHE . 53.4 mt -123.99 115.48 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.962 . . . . 1.1499999999999999 109.668 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.84 149.97 41.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 2.79 109.274 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.84 139.13 10.42 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.6 -1.4 . . . . 0.45000000000000001 109.6 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HG3' ' NH1' ' A' ' 335' ' ' ARG . 1.4 ttm-85 -82.26 -57.47 3.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.237 -1.155 . . . . 3.1600000000000001 109.324 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.46 -41.34 89.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.406 -0.809 . . . . 2.2200000000000002 109.647 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.44 -44.34 95.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.271 -0.893 . . . . 3.54 109.694 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.79 -53.28 57.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.5 109.54 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.98 -37.67 53.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 1.6599999999999999 109.744 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 12.7 ttp -63.03 -45.82 90.5 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 110.115 -179.576 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CG ' HD12 ' A' ' 332' ' ' ILE . 23.2 m-85 -61.57 -54.22 45.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.34000000000000002 109.333 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.72 -34.12 25.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 2.9399999999999999 109.5 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 340' ' ' MET . 34.6 tt0 -60.25 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.187 -0.946 . . . . 1.74 109.521 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.45 -34.5 75.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 108.903 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.17 -54.06 51.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.462 -0.774 . . . . 1.22 109.53 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.23 -31.74 72.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.445 -0.785 . . . . 1.72 109.912 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.41 45.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.185 -0.947 . . . . 1.0700000000000001 110.045 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.16 -42.72 99.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.696 -179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.72 -35.46 74.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 1.9099999999999999 109.595 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 18.6 tp -64.86 -42.03 95.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 1.1499999999999999 109.366 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 30.3 ttmt -62.64 -50.1 72.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.81 . . . . 2.1400000000000001 109.089 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.22 -30.46 64.61 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.601 -0.687 . . . . 1.4299999999999999 109.805 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.17 91.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.3 109.944 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 1.4199999999999999 109.765 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.27 0.557 . . . . 1.6100000000000001 109.544 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.18 153.24 17.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.912 . . . . 0.96999999999999997 109.79 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.9 m-85 -140.92 -173.5 3.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -0.85 . . . . 0.59999999999999998 109.549 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.403 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 56.9 p -152.06 157.35 41.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.343 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.63 130.99 15.63 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.278 -0.889 . . . . 1.1000000000000001 109.472 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.72 131.77 34.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.3600000000000001 109.206 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.416 HD12 ' CG ' ' B' ' 341' ' ' PHE . 52.3 mt -123.88 115.38 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 1.1699999999999999 109.792 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.9 149.9 41.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 2.79 109.358 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.09 10.42 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.598 -1.401 . . . . 0.47999999999999998 109.598 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 1.4 ttm-85 -82.37 -57.35 3.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -1.16 . . . . 3.2200000000000002 109.3 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -59.52 -41.43 89.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 2.21 109.65 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.35 -44.24 95.75 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.321 -0.862 . . . . 3.5499999999999998 109.813 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.92 -53.23 58.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.312 -0.868 . . . . 0.52000000000000002 109.537 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.96 -37.6 53.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 1.6799999999999999 109.744 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 12.8 ttp -63.15 -45.82 90.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.223 -0.923 . . . . 1.1499999999999999 109.984 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CG ' HD12 ' B' ' 332' ' ' ILE . 23.3 m-85 -61.68 -54.18 46.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.33000000000000002 109.345 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.67 -34.16 25.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.283 -0.886 . . . . 3.02 109.473 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' B' ' 340' ' ' MET . 34.4 tt0 -60.27 -49.25 78.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 1.75 109.483 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.62 -34.34 75.5 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 108.962 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.12 -54.22 49.53 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.376 -0.828 . . . . 1.21 109.508 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.95 -31.88 73.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.495 -0.753 . . . . 1.6899999999999999 109.978 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.33 45.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.0600000000000001 110.039 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.21 -42.7 99.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.749 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.66 -35.67 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.9299999999999999 109.577 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 18.6 tp -64.65 -42.11 95.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 1.1399999999999999 109.393 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 30.3 ttmt -62.59 -50.15 72.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.468 -0.77 . . . . 2.1899999999999999 109.11 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.24 -30.33 64.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.563 -0.711 . . . . 1.4299999999999999 109.807 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.22 91.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.905 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 1.3999999999999999 109.753 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.267 0.556 . . . . 2.1099999999999999 109.557 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.2 153.34 17.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 1.01 109.835 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.5 m-85 -140.93 -173.58 3.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.57999999999999996 109.59 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.6 p -152.04 157.21 41.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.129 -0.982 . . . . 1.1599999999999999 109.332 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.44 131.13 15.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 1.1699999999999999 109.47 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.5 tt0 -85.83 131.8 34.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 1.8100000000000001 109.174 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.421 HD12 ' CG ' ' C' ' 341' ' ' PHE . 52.8 mt -123.89 115.44 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 1.1299999999999999 109.731 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.85 149.93 41.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 2.8199999999999998 109.341 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.13 10.45 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.619 -1.393 . . . . 0.45000000000000001 109.619 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.541 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 1.4 ttm-85 -82.33 -57.39 3.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -1.12 . . . . 3.0800000000000001 109.324 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -59.57 -41.17 89.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.344 -0.847 . . . . 2.54 109.67 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.65 -44.13 96.79 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.239 -0.913 . . . . 4.1100000000000003 109.719 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.94 -53.19 58.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.868 . . . . 0.56999999999999995 109.574 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.99 -37.61 53.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 1.6599999999999999 109.718 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 12.7 ttp -63.11 -45.84 90.14 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.281 -0.887 . . . . 1.29 110.089 -179.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' CG ' HD12 ' C' ' 332' ' ' ILE . 23.4 m-85 -61.49 -54.38 44.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.084 -1.01 . . . . 0.40000000000000002 109.295 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.71 -34.11 25.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 3.8500000000000001 109.526 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' C' ' 340' ' ' MET . 34.6 tt0 -60.1 -49.47 77.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.13 -0.981 . . . . 1.78 109.487 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.5 -34.47 75.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.199 -0.938 . . . . 1.1699999999999999 108.917 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.05 -54.17 50.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.374 -0.828 . . . . 1.2 109.555 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.09 -31.92 73.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.426 -0.796 . . . . 2.1200000000000001 109.971 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.4 45.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 110.029 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 1.1399999999999999 109.713 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.52 74.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 2.0899999999999999 109.644 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 18.7 tp -64.96 -41.9 95.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.376 -0.828 . . . . 1.3799999999999999 109.359 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.68 -49.97 73.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 2.6800000000000002 109.08 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -57.41 -30.43 64.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.618 -0.676 . . . . 1.3400000000000001 109.754 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.21 91.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.3 109.954 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.217 -0.927 . . . . 1.8 109.7 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.217 0.532 . . . . 1.6699999999999999 109.599 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.04 153.31 17.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.276 -0.89 . . . . 1.01 109.788 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.2 m-85 -141.01 -173.59 3.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.34 -0.85 . . . . 0.63 109.577 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 57.0 p -152.04 157.37 41.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 1.1299999999999999 109.266 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.61 131.09 15.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.438 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.8 131.8 34.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 1.3700000000000001 109.181 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.417 HD12 ' CG ' ' D' ' 341' ' ' PHE . 52.4 mt -123.88 115.38 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 1.1499999999999999 109.828 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 150.0 41.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.928 . . . . 2.77 109.356 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.77 139.14 10.41 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.625 -1.39 . . . . 0.42999999999999999 109.625 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.4 ttm-85 -82.3 -57.5 3.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -1.071 . . . . 3.1200000000000001 109.285 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.44 -41.47 89.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 2.2200000000000002 109.621 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.33 -44.38 95.54 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 3.5 109.652 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.2 t80 -54.83 -53.4 55.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.339 -0.851 . . . . 0.5 109.499 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.76 -37.73 52.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 109.786 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 12.6 ttp -63.05 -45.85 90.25 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.24 -0.913 . . . . 1.1399999999999999 110.106 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.417 ' CG ' HD12 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.57 -54.34 44.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.972 . . . . 0.32000000000000001 109.324 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.56 -34.2 24.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 2.96 109.529 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' D' ' 340' ' ' MET . 34.7 tt0 -60.15 -49.39 77.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 1.75 109.52 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.58 -34.35 75.46 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.164 -0.96 . . . . 1.0800000000000001 108.899 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.15 -54.12 50.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.471 -0.768 . . . . 1.22 109.54 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.01 -32.0 73.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 1.73 109.936 -179.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.36 45.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 110.106 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.291 -0.881 . . . . 1.1100000000000001 109.651 -179.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.51 74.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.619 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.88 -41.96 95.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.314 -0.866 . . . . 1.1699999999999999 109.308 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 30.3 ttmt -62.67 -50.02 72.81 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.462 -0.774 . . . . 2.1499999999999999 109.086 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.3 -30.42 64.72 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.616 -0.677 . . . . 1.4399999999999999 109.757 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.16 90.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 1.3 109.861 -179.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.292 -0.88 . . . . 1.3999999999999999 109.709 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.248 0.547 . . . . 1.7 109.84 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.56 155.84 16.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.326 -0.859 . . . . 1.04 109.361 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 75.8 m-85 -140.82 136.37 32.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -0.9 . . . . 0.65000000000000002 109.301 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.7 p -91.96 171.53 9.06 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.811 . . . . 1.1399999999999999 109.931 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 23.5 tp -148.96 132.39 16.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.316 -0.865 . . . . 1.0900000000000001 109.345 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.48 122.36 31.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.385 -0.822 . . . . 1.3700000000000001 109.774 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.9 mt -124.01 109.75 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 109.402 179.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 1.8 tmt_? -72.99 147.24 45.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 2.79 109.754 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.407 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 95.73 131.4 6.62 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.913 -1.275 . . . . 0.45000000000000001 109.913 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.505 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 6.0 ttm180 -79.6 -49.56 12.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.263 -1.139 . . . . 3.1600000000000001 109.313 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.27 -47.21 86.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.323 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.419 ' NH1' HD12 ' C' ' 348' ' ' LEU . 11.0 tpp180 -62.51 -42.47 99.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.282 -0.886 . . . . 3.54 109.165 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.412 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 20.8 t80 -54.26 -48.94 70.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.33 -0.856 . . . . 0.5 109.289 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.82 -37.61 60.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.27 -0.894 . . . . 1.6599999999999999 109.766 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -62.68 -46.71 86.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 1.1499999999999999 110.06 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.99 -50.9 71.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 0.34000000000000002 109.452 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.08 -38.59 52.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.826 . . . . 2.9399999999999999 109.721 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -50.98 71.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 1.74 109.899 -179.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.31 -33.87 74.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 1.0700000000000001 109.209 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.05 -53.52 56.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.386 -0.821 . . . . 1.22 109.742 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.04 82.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.392 -0.818 . . . . 1.72 110.235 -179.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.26 74.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 1.0700000000000001 109.954 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.433 HD12 ' NH1' ' C' ' 337' ' ' ARG . 36.2 mt -62.17 -45.99 90.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 1.0800000000000001 109.525 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.49 -31.79 69.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.589 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.77 -47.36 78.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.905 . . . . 1.1499999999999999 109.365 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.89 -48.87 78.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.457 -0.777 . . . . 2.1400000000000001 109.128 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.7 -32.35 65.38 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.613 -0.68 . . . . 1.4299999999999999 109.639 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.3 84.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 1.3 109.505 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 1.4199999999999999 109.506 -179.92 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.158 0.504 . . . . 1.6100000000000001 109.742 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -94.68 155.87 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.328 -0.858 . . . . 0.96999999999999997 109.368 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 75.8 m-85 -140.83 136.3 32.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.59999999999999998 109.331 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.94 171.72 8.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.328 -0.857 . . . . 1.1000000000000001 109.838 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -149.14 132.25 16.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.336 -0.852 . . . . 1.1000000000000001 109.389 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.33 122.44 31.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 109.83 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mt -124.14 109.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.291 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 1.8 tmt_? -72.95 147.19 45.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 2.79 109.703 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.41 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 95.8 131.35 6.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.83 -1.308 . . . . 0.47999999999999998 109.83 179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 6.0 ttm180 -79.48 -49.7 11.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.175 . . . . 3.2200000000000002 109.268 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.1 -47.31 85.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.288 -0.882 . . . . 2.21 109.417 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.459 ' NH1' HD12 ' D' ' 348' ' ' LEU . 11.0 tpp180 -62.52 -42.35 99.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.282 -0.886 . . . . 3.5499999999999998 109.215 179.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 20.6 t80 -54.32 -48.92 70.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.852 . . . . 0.52000000000000002 109.3 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.74 -37.56 59.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 1.6799999999999999 109.84 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.79 -46.67 86.92 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.27 -0.894 . . . . 1.1499999999999999 110.024 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.01 -50.83 71.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.33000000000000002 109.398 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.23 -38.53 53.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 3.02 109.734 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -50.96 72.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 1.75 109.882 -179.681 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.35 -33.8 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 1.0700000000000001 109.218 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.1 -53.59 56.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.843 . . . . 1.21 109.683 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.18 82.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.6899999999999999 110.194 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.07 75.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 1.0600000000000001 110.049 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.463 HD12 ' NH1' ' D' ' 337' ' ' ARG . 35.2 mt -62.09 -46.07 90.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 1.0800000000000001 109.61 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.81 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -0.85 . . . . 1.9299999999999999 109.581 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.78 -47.47 78.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 1.1399999999999999 109.294 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -61.88 -48.79 78.91 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.389 -0.82 . . . . 2.1899999999999999 109.134 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.673 -0.642 . . . . 1.4299999999999999 109.682 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.21 83.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.3100000000000001 109.609 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 1.3999999999999999 109.619 179.952 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.24 0.543 . . . . 2.1099999999999999 109.806 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.6 155.79 16.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.381 -0.824 . . . . 1.01 109.387 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -140.78 136.36 32.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.165 179.332 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -91.95 171.58 9.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -0.813 . . . . 1.1599999999999999 109.889 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -149.0 132.34 16.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.829 . . . . 1.1699999999999999 109.376 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.32 30.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 1.8100000000000001 109.816 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.91 109.77 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 109.339 179.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 1.8 tmt_? -72.98 147.18 45.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 2.8199999999999998 109.733 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 95.7 131.39 6.61 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.812 -1.315 . . . . 0.45000000000000001 109.812 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 6.0 ttm180 -79.57 -49.56 12.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.319 -1.106 . . . . 3.0800000000000001 109.256 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.29 -47.32 85.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 2.54 109.335 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.433 ' NH1' HD12 ' A' ' 348' ' ' LEU . 11.0 tpp180 -62.44 -42.42 99.44 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 4.1100000000000003 109.273 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 328' ' ' PHE . 20.4 t80 -54.29 -48.92 70.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.56999999999999995 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.73 -37.51 59.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.222 -0.924 . . . . 1.6599999999999999 109.856 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.86 -46.66 86.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.169 -0.957 . . . . 1.29 109.987 -179.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.02 -50.82 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 0.40000000000000002 109.457 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -51.19 -38.49 52.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 3.8500000000000001 109.732 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.25 -50.96 72.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.039 -1.038 . . . . 1.78 109.933 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.24 -33.92 74.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.189 -0.944 . . . . 1.1699999999999999 109.187 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.09 -53.55 56.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.408 -0.807 . . . . 1.2 109.641 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -36.07 82.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 2.1200000000000001 110.256 -179.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.17 74.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 1.0700000000000001 110.013 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.419 HD12 ' NH1' ' A' ' 337' ' ' ARG . 35.7 mt -62.06 -46.06 90.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 1.1399999999999999 109.617 -179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.88 69.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 2.0899999999999999 109.519 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.76 -47.37 78.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 1.3799999999999999 109.335 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.85 -48.89 78.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.448 -0.782 . . . . 2.6800000000000002 109.149 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.65 -32.43 65.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.507 -0.746 . . . . 1.3400000000000001 109.621 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.34 84.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.274 -0.891 . . . . 1.3 109.46 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.929 . . . . 1.8 109.569 -179.89 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.28 0.562 . . . . 1.6699999999999999 109.832 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.54 155.85 16.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 1.01 109.413 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 76.4 m-85 -140.89 136.36 32.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.63 109.271 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.3 p -91.91 171.75 8.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 1.1299999999999999 109.864 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 23.5 tp -149.21 132.3 16.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.1000000000000001 109.39 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.47 31.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.176 -0.953 . . . . 1.3700000000000001 109.774 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.1 mt -124.07 109.55 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.253 -0.904 . . . . 1.1499999999999999 109.303 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 1.9 tmt_? -72.82 147.04 45.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 2.77 109.793 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.41 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 95.86 131.4 6.66 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.739 -1.344 . . . . 0.42999999999999999 109.739 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 6.0 ttm180 -79.53 -49.48 12.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -1.168 . . . . 3.1200000000000001 109.354 179.723 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.3 -47.33 85.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.317 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.463 ' NH1' HD12 ' B' ' 348' ' ' LEU . 11.0 tpp180 -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.218 -0.926 . . . . 3.5 109.256 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 20.4 t80 -54.38 -48.9 70.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.5 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.69 -37.67 59.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.6899999999999999 109.77 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.78 -46.67 86.93 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.22 -0.925 . . . . 1.1399999999999999 110.054 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -60.97 -50.82 71.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.32000000000000001 109.425 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.32 -38.39 52.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 2.96 109.695 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.98 71.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 1.75 109.848 -179.722 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.3 -33.92 74.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.092 -1.005 . . . . 1.0800000000000001 109.209 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.07 -53.55 56.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.22 109.672 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -35.94 81.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.407 -0.808 . . . . 1.73 110.309 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.22 74.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 1.0700000000000001 109.9 -179.554 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.459 HD12 ' NH1' ' B' ' 337' ' ' ARG . 35.3 mt -62.05 -46.08 90.73 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.361 -0.837 . . . . 1.1100000000000001 109.579 -179.732 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.53 -31.74 69.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.558 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.84 -47.37 78.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.851 . . . . 1.1699999999999999 109.344 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.74 -49.04 78.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.776 . . . . 2.1499999999999999 109.145 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.63 -32.33 65.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.766 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.22 83.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 1.3 109.572 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.183 -0.948 . . . . 1.3999999999999999 109.683 179.913 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.291 0.567 . . . . 1.7 109.522 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -93.28 157.12 16.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 1.04 109.437 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -140.16 -169.65 2.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.975 . . . . 0.65000000000000002 109.771 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.5 p -153.29 157.46 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.507 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.31 131.13 15.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 1.0900000000000001 109.48 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -87.24 129.12 35.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 1.3700000000000001 109.566 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 341' ' ' PHE . 40.3 mt -123.97 119.04 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.1499999999999999 109.458 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.11 149.53 41.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 2.79 109.659 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.46 133.27 7.3 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.982 -1.247 . . . . 0.45000000000000001 109.982 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.0 ttp180 -79.15 -59.88 2.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.25 -1.147 . . . . 3.1600000000000001 109.31 179.864 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 25.1 pt-20 -58.6 -41.39 85.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.365 -0.835 . . . . 2.2200000000000002 109.175 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.7 ttp180 -60.91 -45.73 93.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 3.54 109.368 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.48 -49.28 72.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.5 109.638 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.99 44.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.6599999999999999 110.108 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -62.76 -46.03 89.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.044 -1.035 . . . . 1.1499999999999999 110.039 -179.332 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 332' ' ' ILE . 22.3 m-85 -61.5 -48.85 79.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.137 -0.977 . . . . 0.34000000000000002 109.33 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -42.98 59.5 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.4 -0.813 . . . . 2.9399999999999999 109.551 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.21 -40.9 87.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.74 109.8 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.62 -45.83 91.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.203 -0.936 . . . . 1.0700000000000001 109.46 -179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -57.91 -45.01 87.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 1.22 109.789 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.42 -38.37 89.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.295 -0.878 . . . . 1.72 109.839 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.24 78.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.784 -179.762 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 17.5 mt -61.9 -42.32 98.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.825 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.86 -37.3 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 1.9099999999999999 109.856 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.1 tt -64.14 -49.18 73.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 1.1499999999999999 109.315 -179.589 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.89 79.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.787 -0.819 . . . . 2.1400000000000001 108.787 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.77 -38.23 81.24 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.599 -0.688 . . . . 1.4299999999999999 109.375 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -23.92 66.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.499 -0.751 . . . . 1.3 109.549 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.94 . . . . 1.4199999999999999 109.323 179.906 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.47 -0.567 . . . . 1.6100000000000001 109.47 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 22.8 m-85 -93.4 157.23 16.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.884 . . . . 0.96999999999999997 109.36 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.7 m-85 -140.18 -169.7 2.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.936 . . . . 0.59999999999999998 109.726 -179.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 p -153.34 157.46 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 1.1000000000000001 109.43 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.18 131.14 15.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.54 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.3 tt0 -87.31 129.16 35.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 1.3600000000000001 109.513 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' B' ' 341' ' ' PHE . 39.7 mt -123.88 118.97 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 1.1699999999999999 109.493 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.06 149.52 41.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.314 -0.866 . . . . 2.79 109.731 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 133.35 7.34 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.908 -1.277 . . . . 0.47999999999999998 109.908 179.673 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.1 ttp180 -79.18 -59.95 2.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.125 . . . . 3.2200000000000002 109.366 179.723 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 25.1 pt-20 -58.57 -41.31 85.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.847 . . . . 2.21 109.209 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.7 ttp180 -60.95 -45.72 93.59 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.308 -0.87 . . . . 3.5499999999999998 109.417 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.55 -49.29 73.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.52000000000000002 109.592 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.93 44.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 1.6799999999999999 110.11 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.2 ttp -62.82 -46.04 89.8 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 1.1499999999999999 110.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.471 ' CD2' HG22 ' B' ' 332' ' ' ILE . 22.3 m-85 -61.4 -48.94 78.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.33000000000000002 109.348 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -42.92 58.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.382 -0.824 . . . . 3.02 109.658 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.37 -40.88 87.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.75 109.748 -179.699 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.53 -45.81 91.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 1.0700000000000001 109.552 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.88 -45.15 86.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 1.21 109.753 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.26 -38.41 89.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -0.912 . . . . 1.6899999999999999 109.877 -179.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.26 78.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.266 -0.896 . . . . 1.0600000000000001 109.717 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 17.5 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.0800000000000001 109.787 -179.66 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.95 -37.31 81.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.337 -0.852 . . . . 1.9299999999999999 109.792 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.42 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.1 tt -64.23 -49.02 73.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 1.1399999999999999 109.289 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 35.3 ttmt -60.4 -37.05 79.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.265 -0.897 . . . . 2.1899999999999999 108.891 179.654 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.62 -38.15 80.53 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.604 -0.685 . . . . 1.4299999999999999 109.456 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.81 -24.03 66.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.448 -0.782 . . . . 1.3100000000000001 109.537 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.362 -0.836 . . . . 1.3999999999999999 109.371 179.895 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.522 -0.547 . . . . 2.1099999999999999 109.522 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 22.7 m-85 -93.43 157.21 16.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 1.01 109.412 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.3 m-85 -140.14 -169.73 2.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.15 -0.969 . . . . 0.57999999999999996 109.8 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.4 p -153.42 157.45 39.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 1.1599999999999999 109.482 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -149.18 131.12 15.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.121 -0.987 . . . . 1.1699999999999999 109.555 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -87.3 129.11 35.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 1.8100000000000001 109.483 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.482 HG22 ' CD2' ' C' ' 341' ' ' PHE . 40.1 mt -123.95 118.96 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 1.1299999999999999 109.499 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -73.97 149.45 41.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 2.8199999999999998 109.773 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.53 133.36 7.35 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.967 -1.253 . . . . 0.45000000000000001 109.967 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.0 ttp180 -79.32 -59.81 2.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.329 -1.101 . . . . 3.0800000000000001 109.261 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 25.1 pt-20 -58.63 -41.41 85.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 2.54 109.185 179.772 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.7 ttp180 -60.77 -45.86 92.71 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.364 -0.835 . . . . 4.1100000000000003 109.36 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.45 -49.34 72.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.398 -0.814 . . . . 0.56999999999999995 109.624 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.98 44.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 1.6599999999999999 110.106 -179.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.69 -46.17 89.37 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.146 -0.971 . . . . 1.29 110.02 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' C' ' 332' ' ' ILE . 22.0 m-85 -61.4 -48.91 79.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.104 -0.997 . . . . 0.40000000000000002 109.29 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -42.83 59.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.407 -0.808 . . . . 3.8500000000000001 109.6 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -59.35 -40.91 87.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.254 -0.904 . . . . 1.78 109.727 -179.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.51 -45.88 90.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 1.1699999999999999 109.493 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.92 -45.06 87.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.88 . . . . 1.2 109.767 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.24 -38.51 89.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 2.1200000000000001 109.919 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.24 78.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 1.0700000000000001 109.746 -179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 17.4 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 1.1399999999999999 109.81 -179.687 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.97 -37.44 82.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 2.0899999999999999 109.735 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.1 tt -64.02 -49.04 73.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 1.3799999999999999 109.384 -179.597 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 35.3 ttmt -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.33 -0.856 . . . . 2.6800000000000002 108.862 179.708 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.71 -38.13 80.77 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.549 -0.719 . . . . 1.3400000000000001 109.322 179.656 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -24.17 66.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 1.3 109.47 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.8 109.333 -179.993 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.301 0.572 . . . . 1.6699999999999999 109.475 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -93.34 157.21 16.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.282 -0.887 . . . . 1.01 109.442 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.6 m-85 -140.18 -169.84 2.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.975 . . . . 0.63 109.801 -179.795 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.4 p -153.23 157.43 40.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 1.1299999999999999 109.464 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.25 131.07 15.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.541 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.15 129.07 35.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 1.3700000000000001 109.54 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' D' ' 341' ' ' PHE . 40.3 mt -123.93 119.0 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 1.1499999999999999 109.458 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.05 149.56 41.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 2.77 109.677 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.5 133.27 7.31 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.994 -1.243 . . . . 0.42999999999999999 109.994 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.575 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttp180 -79.17 -59.93 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -1.14 . . . . 3.1200000000000001 109.345 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 25.1 pt-20 -58.51 -41.41 85.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 2.2200000000000002 109.163 179.806 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.7 ttp180 -60.89 -45.85 92.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.389 -0.819 . . . . 3.5 109.393 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.45 -49.28 72.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.403 -0.81 . . . . 0.5 109.652 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.89 44.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.213 -0.929 . . . . 1.6899999999999999 110.14 -179.57 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.8 -46.13 89.39 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.052 -1.03 . . . . 1.1399999999999999 109.988 -179.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD2' HG22 ' D' ' 332' ' ' ILE . 22.3 m-85 -61.43 -48.9 79.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.32000000000000001 109.288 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -42.74 60.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.309 -0.869 . . . . 2.96 109.658 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.34 -40.86 87.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.207 -0.933 . . . . 1.75 109.801 -179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.5 -45.93 90.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.109 -0.995 . . . . 1.0800000000000001 109.563 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -57.91 -45.0 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.856 . . . . 1.22 109.817 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.34 -38.38 89.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.366 -0.834 . . . . 1.73 109.825 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.22 78.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.691 -179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.492 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 17.5 mt -61.83 -42.42 99.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.368 -0.832 . . . . 1.1100000000000001 109.801 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.78 -37.45 81.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.861 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.19 -49.04 73.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 109.35 -179.532 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.93 79.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 2.1499999999999999 108.812 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -59.69 -38.15 80.75 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.528 -0.733 . . . . 1.4399999999999999 109.419 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -24.12 66.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.461 -0.775 . . . . 1.3 109.504 -179.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.92 . . . . 1.3999999999999999 109.401 179.912 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.306 0.574 . . . . 1.7 109.939 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -96.82 154.16 17.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.988 . . . . 1.04 109.175 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.63 -174.79 3.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.142 -0.974 . . . . 0.65000000000000002 109.802 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.0 p -153.44 159.08 42.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 1.1399999999999999 109.273 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.1 tp -149.05 129.29 13.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.14 -0.975 . . . . 1.0900000000000001 109.63 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.45 129.77 34.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.3700000000000001 109.338 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.83 117.1 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.1499999999999999 109.559 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.57 156.61 37.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 2.79 109.537 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.1 139.04 6.32 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.756 -1.338 . . . . 0.45000000000000001 109.756 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.02 -60.59 2.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.348 -1.089 . . . . 3.1600000000000001 109.531 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.46 -38.09 76.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 2.2200000000000002 109.65 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' HD12 ' C' ' 348' ' ' LEU . 5.4 tpp180 -62.76 -46.97 85.55 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.287 -0.883 . . . . 3.54 109.54 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.1 t80 -54.88 -51.2 66.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 0.5 109.491 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.26 -32.78 38.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.92 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.56 -52.04 62.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.139 -0.976 . . . . 1.1499999999999999 110.06 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -60.85 -51.77 67.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.34000000000000002 109.14 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.43 -38.1 41.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.494 -0.754 . . . . 2.9399999999999999 109.371 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -61.74 -43.96 97.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -0.839 . . . . 1.74 109.793 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.96 -47.02 86.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.341 -0.849 . . . . 1.0700000000000001 109.737 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.22 -42.98 87.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 1.22 109.783 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -41.94 99.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 1.72 109.89 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.24 89.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 1.0700000000000001 109.843 -179.727 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.44 HD12 ' NH1' ' C' ' 337' ' ' ARG . 75.4 mt -62.06 -43.5 98.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.714 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.93 -37.25 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.78 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.4 tt -63.53 -48.69 76.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 1.1499999999999999 109.732 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.513 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 27.7 ttmt -61.19 -40.8 95.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.312 -0.868 . . . . 2.1400000000000001 109.153 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.23 -33.03 67.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.559 -0.713 . . . . 1.4299999999999999 109.586 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.18 89.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 1.3 109.342 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.4199999999999999 109.43 179.71 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.217 0.532 . . . . 1.6100000000000001 109.965 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -96.73 154.21 17.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.198 -0.939 . . . . 0.96999999999999997 109.207 179.45 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.8 m-85 -139.57 -174.74 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.59999999999999998 109.862 -179.695 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.1 p -153.52 159.16 42.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 1.1000000000000001 109.256 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.2 tp -149.13 129.2 13.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.529 -179.793 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.47 129.81 34.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.35 -0.843 . . . . 1.3600000000000001 109.379 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -123.77 117.04 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.11 -0.994 . . . . 1.1699999999999999 109.507 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.63 156.67 37.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.253 -0.905 . . . . 2.79 109.544 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.04 138.98 6.25 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.608 -1.397 . . . . 0.47999999999999998 109.608 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -79.83 -60.67 2.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -1.104 . . . . 3.2200000000000002 109.528 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.51 -38.02 76.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.323 -0.861 . . . . 2.21 109.667 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.483 ' NH1' HD12 ' D' ' 348' ' ' LEU . 5.4 tpp180 -62.8 -46.88 85.89 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.124 -0.985 . . . . 3.5499999999999998 109.579 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' D' ' 329' ' ' THR . 42.1 t80 -54.83 -51.36 66.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.425 -0.797 . . . . 0.52000000000000002 109.477 179.881 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.03 -32.92 36.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 1.6799999999999999 109.941 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.52 -52.07 62.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.134 -0.979 . . . . 1.1499999999999999 110.081 -179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.79 -51.82 67.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.33000000000000002 109.183 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.47 -38.05 41.75 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.439 -0.788 . . . . 3.02 109.38 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.75 -44.07 97.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.912 . . . . 1.75 109.683 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.86 -47.03 86.86 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 109.747 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -58.26 -42.89 87.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.264 -0.898 . . . . 1.21 109.775 -179.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 1.6899999999999999 109.769 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.2 89.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 1.0600000000000001 109.827 -179.657 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.519 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 75.3 mt -62.03 -43.47 98.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 1.0800000000000001 109.845 -179.7 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -60.96 -37.22 81.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 1.9299999999999999 109.711 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.513 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.4 tt -63.56 -48.7 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.358 -0.839 . . . . 1.1399999999999999 109.824 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . 27.8 ttmt -61.21 -40.7 94.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.324 -0.86 . . . . 2.1899999999999999 109.141 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.24 -33.18 67.3 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.543 -0.723 . . . . 1.4299999999999999 109.6 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.16 89.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 1.3100000000000001 109.337 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.3999999999999999 109.337 179.766 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.226 0.536 . . . . 2.1099999999999999 109.998 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -96.81 154.34 17.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 1.01 109.198 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.4 m-85 -139.68 -174.78 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.133 -0.979 . . . . 0.57999999999999996 109.788 -179.632 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.0 p -153.53 159.13 42.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 1.1599999999999999 109.25 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.2 tp -149.08 129.26 13.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 1.1699999999999999 109.515 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.38 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.393 -0.817 . . . . 1.8100000000000001 109.415 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -123.79 117.11 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 1.1299999999999999 109.568 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.65 156.68 37.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.295 -0.878 . . . . 2.8199999999999998 109.508 179.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.94 6.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.648 -1.381 . . . . 0.45000000000000001 109.648 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.79 -60.7 2.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 3.0800000000000001 109.514 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.01 76.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -0.924 . . . . 2.54 109.607 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.44 ' NH1' HD12 ' A' ' 348' ' ' LEU . 5.4 tpp180 -62.88 -46.84 85.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.229 -0.919 . . . . 4.1100000000000003 109.543 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.7 t80 -54.94 -51.35 66.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.56999999999999995 109.336 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -52.08 -32.82 36.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.942 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.62 -52.01 62.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 1.29 110.095 -179.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -60.84 -51.76 67.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 109.228 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.39 -38.07 40.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 3.8500000000000001 109.439 179.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.7 -44.11 97.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.328 -0.857 . . . . 1.78 109.781 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.83 -47.11 86.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.79 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.21 -42.85 87.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 1.2 109.878 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.823 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.25 89.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.86 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.471 HD12 ' NH1' ' A' ' 337' ' ' ARG . 75.2 mt -61.92 -43.52 98.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.356 -0.84 . . . . 1.1399999999999999 109.796 -179.741 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -60.96 -37.2 81.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 2.0899999999999999 109.672 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -63.57 -48.73 76.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.387 -0.821 . . . . 1.3799999999999999 109.75 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -61.19 -40.78 95.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 2.6800000000000002 109.115 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.25 -33.11 67.25 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.574 -0.704 . . . . 1.3400000000000001 109.613 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.27 89.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.283 -0.886 . . . . 1.3 109.418 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.34 -0.85 . . . . 1.8 109.428 179.75 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.219 0.533 . . . . 1.6699999999999999 109.964 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -96.82 154.18 17.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.102 -0.999 . . . . 1.01 109.14 179.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.9 m-85 -139.58 -174.72 3.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.63 109.839 -179.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 19.9 p -153.55 159.16 42.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 1.1299999999999999 109.23 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.14 129.22 13.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 1.1000000000000001 109.519 -179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.37 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.9 . . . . 1.3700000000000001 109.399 179.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.86 117.16 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.167 -0.958 . . . . 1.1499999999999999 109.542 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.66 156.64 37.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.869 . . . . 2.77 109.534 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.91 6.27 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.763 -1.335 . . . . 0.42999999999999999 109.763 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -79.87 -60.64 2.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.341 -1.094 . . . . 3.1200000000000001 109.505 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.04 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.836 . . . . 2.2200000000000002 109.515 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 5.5 tpp180 -62.86 -46.88 85.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.2 -0.937 . . . . 3.5 109.586 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.0 t80 -54.76 -51.41 65.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.5 109.459 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.21 -32.68 37.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.6899999999999999 109.919 -179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.7 -51.9 62.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 110.096 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.95 -51.76 67.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.32000000000000001 109.13 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.5 -38.03 42.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.36 -0.837 . . . . 2.96 109.383 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.66 -44.04 97.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.345 -0.847 . . . . 1.75 109.794 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -47.04 86.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.9 . . . . 1.0800000000000001 109.708 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.14 -42.91 86.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.902 . . . . 1.22 109.867 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -41.95 99.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 1.73 109.807 -179.689 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.28 89.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 1.0700000000000001 109.795 -179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.483 HD12 ' NH1' ' B' ' 337' ' ' ARG . 75.1 mt -61.91 -43.42 98.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 1.1100000000000001 109.8 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.02 -37.23 81.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.9099999999999999 109.709 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 1.4 tt -63.55 -48.7 76.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 1.1699999999999999 109.723 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 27.8 ttmt -61.28 -40.77 95.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.321 -0.862 . . . . 2.1499999999999999 109.105 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.19 -33.07 67.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.556 -0.715 . . . . 1.4399999999999999 109.562 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.17 89.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.859 . . . . 1.3 109.325 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.457 179.698 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.282 -0.636 . . . . 1.7 109.282 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -94.67 160.12 14.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 1.04 109.701 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.9 m-85 -138.76 -168.77 2.48 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.191 -0.943 . . . . 0.65000000000000002 109.341 179.888 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.8 p -154.01 160.65 42.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.166 -0.959 . . . . 1.1399999999999999 109.566 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -149.45 130.03 13.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 1.0900000000000001 109.376 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -86.06 134.75 33.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.291 -0.881 . . . . 1.3700000000000001 109.593 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' A' ' 341' ' ' PHE . 47.9 mt -124.07 117.41 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.35 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 144.3 47.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.79 109.427 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.29 136.02 7.24 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.606 -1.398 . . . . 0.45000000000000001 109.606 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 68.8 ttt180 -81.15 -47.59 13.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -1.152 . . . . 3.1600000000000001 109.505 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -47.92 82.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.493 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.57 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 6.0 tpp180 -61.94 -42.35 99.01 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.304 -0.873 . . . . 3.54 109.713 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' C' ' 329' ' ' THR . 50.7 t80 -54.67 -49.0 71.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.346 -0.846 . . . . 0.5 109.449 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.24 -38.16 57.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 109.769 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.0 -46.9 87.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 110.112 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD2' HG22 ' A' ' 332' ' ' ILE . 23.0 m-85 -60.76 -49.18 78.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.149 -0.97 . . . . 0.34000000000000002 109.137 -179.794 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -38.66 56.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.501 -0.749 . . . . 2.9399999999999999 109.569 179.818 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.24 66.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 1.74 110.089 -179.518 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.65 -33.69 71.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.993 -1.067 . . . . 1.0700000000000001 108.939 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.01 -54.07 50.32 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 1.22 109.801 179.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.78 -32.98 74.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.434 -0.792 . . . . 1.72 110.33 -179.497 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.26 58.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 109.961 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.486 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 51.8 mt -60.88 -43.15 98.83 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 1.0800000000000001 109.741 -179.56 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.61 -35.71 76.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.713 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.4 tt -65.69 -46.22 79.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 109.553 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -37.84 84.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.406 -0.809 . . . . 2.1400000000000001 108.972 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.47 -33.76 68.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.602 -0.686 . . . . 1.4299999999999999 109.625 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -48.77 68.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 1.3 109.483 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.499 -0.751 . . . . 1.4199999999999999 109.74 -179.876 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.314 -0.624 . . . . 1.6100000000000001 109.314 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.83 160.17 14.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.96999999999999997 109.663 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.4 m-85 -138.77 -168.93 2.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.59999999999999998 109.443 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.4 p -153.86 160.6 42.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 1.1000000000000001 109.594 -179.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -149.35 130.31 14.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.872 . . . . 1.1000000000000001 109.225 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -86.32 134.71 33.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.884 . . . . 1.3600000000000001 109.51 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' B' ' 341' ' ' PHE . 48.4 mt -124.06 117.51 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.394 179.777 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 144.26 47.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.938 . . . . 2.79 109.412 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.22 136.3 7.32 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.528 -1.429 . . . . 0.47999999999999998 109.528 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 68.7 ttt180 -81.38 -47.7 12.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.132 -1.216 . . . . 3.2200000000000002 109.492 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -48.11 81.09 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.384 -0.822 . . . . 2.21 109.394 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 6.1 tpp180 -61.74 -42.4 98.92 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.406 -0.809 . . . . 3.5499999999999998 109.799 -179.896 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 50.6 t80 -54.71 -49.02 71.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.257 -0.902 . . . . 0.52000000000000002 109.484 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.15 -38.04 56.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.433 -0.792 . . . . 1.6799999999999999 109.836 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.0 -47.03 86.59 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.355 -0.84 . . . . 1.1499999999999999 110.212 -179.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.78 -49.24 78.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.33000000000000002 109.124 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -38.8 56.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.384 -0.823 . . . . 3.02 109.536 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -52.46 65.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 110.09 -179.54 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.53 -33.61 71.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.992 . . . . 1.0700000000000001 108.987 -179.828 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.11 -54.08 50.18 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.549 -0.719 . . . . 1.21 109.805 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -62.76 -32.99 74.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 1.6899999999999999 110.279 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.4 -53.36 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.126 -0.984 . . . . 1.0600000000000001 109.953 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 51.8 mt -60.74 -43.07 98.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 1.0800000000000001 109.715 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.77 -35.79 77.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 1.9299999999999999 109.642 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.4 tt -65.45 -46.45 79.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 1.1399999999999999 109.529 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -37.83 84.63 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.308 -0.87 . . . . 2.1899999999999999 109.049 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -57.31 -33.78 68.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.562 -0.712 . . . . 1.4299999999999999 109.691 179.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -48.69 68.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.3 -0.875 . . . . 1.3100000000000001 109.472 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.412 -0.805 . . . . 1.3999999999999999 109.732 -179.811 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.337 -0.616 . . . . 2.1099999999999999 109.337 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.81 160.19 14.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.243 -0.911 . . . . 1.01 109.617 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 83.2 m-85 -138.8 -168.68 2.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.359 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.6 p -154.08 160.48 41.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 1.1599999999999999 109.585 -179.84 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.3 tp -149.33 130.17 14.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 109.392 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.75 33.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 1.8100000000000001 109.517 -179.898 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.489 HG22 ' CD2' ' C' ' 341' ' ' PHE . 47.6 mt -123.99 117.31 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 1.1299999999999999 109.333 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 144.49 47.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 2.8199999999999998 109.367 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.01 136.27 7.21 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 0.45000000000000001 109.603 -179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 68.9 ttt180 -81.27 -47.61 13.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -1.177 . . . . 3.0800000000000001 109.486 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -47.84 82.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.924 . . . . 2.54 109.498 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 5.9 tpp180 -62.03 -42.38 99.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.269 -0.894 . . . . 4.1100000000000003 109.635 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.58 -48.91 71.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.262 -0.898 . . . . 0.56999999999999995 109.571 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -52.23 -38.18 57.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 1.6599999999999999 109.823 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.02 -46.8 87.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.21 -0.931 . . . . 1.29 110.185 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.489 ' CD2' HG22 ' C' ' 332' ' ' ILE . 23.0 m-85 -60.8 -49.23 78.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.40000000000000002 109.163 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -38.81 56.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.473 -0.767 . . . . 3.8500000000000001 109.605 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -52.14 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 1.78 110.155 -179.566 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.85 -33.56 71.95 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.115 -0.991 . . . . 1.1699999999999999 108.915 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.04 -54.03 50.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.516 -0.74 . . . . 1.2 109.781 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.84 -32.97 74.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.372 -0.83 . . . . 2.1200000000000001 110.31 -179.42 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.47 -53.28 58.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.06 -1.025 . . . . 1.0700000000000001 109.951 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 52.8 mt -60.83 -43.24 98.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 109.65 -179.583 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.67 -35.54 76.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.63 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.441 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -65.66 -46.51 78.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 1.3799999999999999 109.503 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -37.78 84.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.436 -0.79 . . . . 2.6800000000000002 108.996 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.49 -33.8 68.4 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.438 -0.789 . . . . 1.3400000000000001 109.576 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -48.87 68.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 1.3 109.378 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.433 ' NE2' HD12 ' D' ' 350' ' ' LEU . 24.2 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.418 -0.801 . . . . 1.8 109.772 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.315 -0.624 . . . . 1.6699999999999999 109.315 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -94.69 160.2 14.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.193 -0.942 . . . . 1.01 109.684 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.0 m-85 -138.88 -168.88 2.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.359 -0.838 . . . . 0.63 109.428 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.85 160.69 42.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 1.1299999999999999 109.554 -179.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.4 tp -149.5 130.23 14.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.883 . . . . 1.1000000000000001 109.303 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.67 33.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.24 -0.912 . . . . 1.3700000000000001 109.609 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.492 HG22 ' CD2' ' D' ' 341' ' ' PHE . 47.9 mt -124.09 117.47 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -0.91 . . . . 1.1499999999999999 109.264 179.891 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 144.35 47.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.923 . . . . 2.77 109.4 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.21 136.34 7.34 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.616 -1.394 . . . . 0.42999999999999999 109.616 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 68.8 ttt180 -81.42 -47.56 13.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -1.153 . . . . 3.1200000000000001 109.437 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.383 -0.823 . . . . 2.2200000000000002 109.446 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 6.0 tpp180 -61.69 -42.42 98.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.446 -0.784 . . . . 3.5 109.772 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' B' ' 329' ' ' THR . 50.5 t80 -54.64 -49.07 71.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.286 -0.884 . . . . 0.5 109.453 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.16 -38.22 56.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 1.6899999999999999 109.815 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -61.93 -46.85 87.52 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.194 -0.941 . . . . 1.1399999999999999 110.15 -179.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.8 -49.27 78.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 0.32000000000000001 109.221 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -38.77 56.55 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.431 -0.793 . . . . 2.96 109.585 179.749 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -52.21 66.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.75 110.114 -179.525 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.76 -33.55 71.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.09 -1.006 . . . . 1.0800000000000001 108.939 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.07 -54.07 50.3 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.512 -0.742 . . . . 1.22 109.775 179.781 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -62.81 -32.95 74.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.509 -0.744 . . . . 1.73 110.249 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.34 57.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 1.0700000000000001 110.023 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 52.6 mt -60.87 -43.03 98.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 1.1100000000000001 109.661 -179.537 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.7 -35.75 77.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -0.94 . . . . 1.9099999999999999 109.653 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 1.4 tt -65.37 -46.52 79.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 1.1699999999999999 109.557 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.37 -37.67 84.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.83 . . . . 2.1499999999999999 108.942 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.41 -33.81 68.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.547 -0.72 . . . . 1.4399999999999999 109.744 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.75 68.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 1.3 109.534 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.382 -0.824 . . . . 1.3999999999999999 109.763 -179.874 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.283 0.563 . . . . 1.7 109.732 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.78 146.99 23.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 1.04 109.099 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.9 m-85 -140.41 -169.97 2.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.158 -0.964 . . . . 0.65000000000000002 109.804 -179.718 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.9 p -153.15 165.04 36.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 1.1399999999999999 109.417 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.4 tp -149.89 133.39 16.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 1.0900000000000001 109.576 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.424 ' HA ' HG21 ' C' ' 329' ' ' THR . 1.0 OUTLIER -86.1 130.7 34.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.3700000000000001 109.39 179.792 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.7 mt -123.95 118.99 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.106 -0.997 . . . . 1.1499999999999999 109.667 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.82 151.67 40.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 2.79 109.57 179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.78 138.53 7.06 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.841 -1.303 . . . . 0.45000000000000001 109.841 179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 6.3 ttt180 -82.59 -58.02 3.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -1.127 . . . . 3.1600000000000001 109.473 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -43.01 87.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.203 -0.936 . . . . 2.2200000000000002 109.256 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -41.82 97.71 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.241 -0.912 . . . . 3.54 109.342 179.846 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.5 t80 -54.82 -57.14 12.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.45 -0.781 . . . . 0.5 109.527 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.01 -30.78 16.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 1.6599999999999999 109.685 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.44 -50.85 68.12 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.105 -0.997 . . . . 1.1499999999999999 109.863 -179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.44 -50.55 72.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 0.34000000000000002 109.175 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -51.08 -36.3 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.852 . . . . 2.9399999999999999 109.204 179.59 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.38 -49.43 77.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 1.74 109.707 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.28 -33.7 73.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -0.895 . . . . 1.0700000000000001 108.881 179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -59.0 -55.08 39.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.465 -0.772 . . . . 1.22 109.414 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.94 -27.36 69.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 1.72 109.856 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.0 -57.43 12.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 110.123 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.7 -40.93 94.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 1.0800000000000001 109.579 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.41 -36.45 75.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.9099999999999999 109.425 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 11.2 tp -64.95 -40.14 94.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 1.1499999999999999 109.382 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.86 70.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.433 -0.792 . . . . 2.1400000000000001 109.067 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.32 -31.07 63.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.595 -0.691 . . . . 1.4299999999999999 109.745 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.85 89.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.3 109.827 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.4199999999999999 109.748 -179.793 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.205 0.526 . . . . 1.6100000000000001 109.672 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -94.76 147.02 23.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.96999999999999997 109.042 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -140.37 -169.94 2.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.125 -0.984 . . . . 0.59999999999999998 109.81 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.7 p -153.25 165.07 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 1.1000000000000001 109.403 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.4 tp -149.83 133.61 16.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.64 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 130.66 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.856 . . . . 1.3600000000000001 109.38 179.754 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -124.0 119.03 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 109.592 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.76 151.7 40.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 2.79 109.546 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 138.61 7.08 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.819 -1.312 . . . . 0.47999999999999998 109.819 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 6.3 ttt180 -82.69 -58.05 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -1.116 . . . . 3.2200000000000002 109.34 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.23 -43.01 87.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.899 . . . . 2.21 109.246 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -41.81 97.77 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 3.5499999999999998 109.226 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.6 t80 -54.79 -57.16 12.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.487 -0.758 . . . . 0.52000000000000002 109.468 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.07 -30.72 16.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 1.6799999999999999 109.662 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.51 -50.87 67.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 109.847 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.46 -50.41 72.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.189 -0.945 . . . . 0.33000000000000002 109.155 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -51.19 -36.31 40.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 3.02 109.265 179.576 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.38 -49.44 77.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.255 -0.903 . . . . 1.75 109.668 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.14 -33.76 73.92 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 1.0700000000000001 108.908 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 349' ' ' GLU . 17.4 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.477 -0.764 . . . . 1.21 109.269 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.83 -27.4 69.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 1.6899999999999999 109.841 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -57.33 12.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 1.0600000000000001 110.129 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.81 -40.91 94.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.613 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 18.8 mt-10 -59.41 -36.27 75.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.216 -0.927 . . . . 1.9299999999999999 109.526 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.03 -40.09 94.33 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 1.1399999999999999 109.349 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.402 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.01 -50.7 70.99 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.452 -0.78 . . . . 2.1899999999999999 109.001 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.49 -30.97 63.59 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.661 -0.649 . . . . 1.4299999999999999 109.689 179.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.892 . . . . 1.3100000000000001 109.824 -179.585 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.173 -0.954 . . . . 1.3999999999999999 109.734 -179.844 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.147 0.498 . . . . 2.1099999999999999 109.752 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.87 147.13 23.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 1.01 109.024 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.3 m-85 -140.47 -169.98 2.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.57999999999999996 109.867 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.7 p -153.2 165.03 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.291 -0.881 . . . . 1.1599999999999999 109.46 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.4 tp -149.81 133.54 16.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.146 -0.972 . . . . 1.1699999999999999 109.613 -179.593 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.36 130.69 34.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 1.8100000000000001 109.33 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.96 118.94 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 1.1299999999999999 109.687 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.63 151.74 40.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 2.8199999999999998 109.565 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.73 138.57 7.05 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.855 -1.298 . . . . 0.45000000000000001 109.855 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 6.3 ttt180 -82.71 -58.01 3.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -1.107 . . . . 3.0800000000000001 109.401 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 -42.93 87.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.54 109.204 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -41.76 97.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.326 -0.859 . . . . 4.1100000000000003 109.292 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.6 t80 -54.83 -57.19 12.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.784 . . . . 0.56999999999999995 109.479 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.14 -30.65 17.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.6599999999999999 109.689 -179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.48 -50.84 68.08 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.162 -0.961 . . . . 1.29 109.865 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.4 -50.47 72.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.40000000000000002 109.207 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -51.15 -36.25 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 3.8500000000000001 109.303 179.542 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.52 -49.25 78.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.881 . . . . 1.78 109.644 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.38 -33.62 73.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 1.1699999999999999 108.876 179.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' C' ' 349' ' ' GLU . 17.4 t-20 -59.09 -55.1 39.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.442 -0.786 . . . . 1.2 109.36 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.92 -27.44 69.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.448 -0.783 . . . . 2.1200000000000001 109.833 -179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.99 -57.32 13.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 110.198 -179.56 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.81 -40.84 94.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.111 -0.993 . . . . 1.1399999999999999 109.643 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 18.8 mt-10 -59.45 -36.41 75.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 2.0899999999999999 109.433 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.97 -40.16 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.795 . . . . 1.3799999999999999 109.307 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -50.66 71.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.448 -0.783 . . . . 2.6800000000000002 109.082 179.789 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.54 -30.89 63.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.639 -0.663 . . . . 1.3400000000000001 109.777 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 1.3 109.854 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.8 109.76 -179.806 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.195 0.521 . . . . 1.6699999999999999 109.681 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -94.86 147.05 23.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.905 . . . . 1.01 109.092 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.0 m-85 -140.39 -169.96 2.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.055 -1.028 . . . . 0.63 109.789 -179.623 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.8 p -153.24 164.88 37.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.1299999999999999 109.391 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -149.77 133.6 16.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 1.1000000000000001 109.627 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.26 130.64 34.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.28 -0.888 . . . . 1.3700000000000001 109.333 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -124.06 118.89 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.97 . . . . 1.1499999999999999 109.652 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.66 151.7 40.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 2.77 109.582 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.41 7.04 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.819 -1.312 . . . . 0.42999999999999999 109.819 179.72 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 6.3 ttt180 -82.64 -57.99 3.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -1.053 . . . . 3.1200000000000001 109.417 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -42.91 87.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.268 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.77 97.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.335 -0.853 . . . . 3.5 109.337 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.6 t80 -54.75 -57.12 12.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.524 -0.735 . . . . 0.5 109.57 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.12 -30.66 16.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.668 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.59 -51.0 67.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.149 -0.969 . . . . 1.1399999999999999 109.681 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.39 -50.46 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.32000000000000001 109.202 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -51.05 -36.38 39.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.443 -0.786 . . . . 2.96 109.308 179.495 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.3 -49.47 77.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 1.75 109.718 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.21 -33.84 74.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 108.921 179.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' D' ' 349' ' ' GLU . 17.3 t-20 -58.85 -55.23 37.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.539 -0.726 . . . . 1.22 109.367 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.86 -27.4 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 1.73 109.83 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.02 -57.45 12.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 1.0700000000000001 110.116 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.73 -40.89 94.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 1.1100000000000001 109.659 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 18.9 mt-10 -59.34 -36.42 75.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.14 -0.975 . . . . 1.9099999999999999 109.548 179.833 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.99 -40.15 94.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.315 -0.866 . . . . 1.1699999999999999 109.335 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.77 70.94 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.442 -0.786 . . . . 2.1499999999999999 109.08 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.742 -0.599 . . . . 1.4399999999999999 109.69 179.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.67 89.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.3 109.822 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.15 -0.969 . . . . 1.3999999999999999 109.689 -179.827 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.508 -0.553 . . . . 1.7 109.508 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 11.9 m-85 -94.51 155.89 16.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 1.04 109.509 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.5 m-85 -140.11 -170.39 2.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.65000000000000002 109.679 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.0 p -153.89 155.45 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.1399999999999999 109.388 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.98 131.94 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.0900000000000001 109.445 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 109.196 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.407 HD12 ' CB ' ' A' ' 341' ' ' PHE . 46.0 mt -123.99 116.76 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 1.1499999999999999 109.695 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.04 148.68 41.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 2.79 109.612 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.11 8.19 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.704 -1.359 . . . . 0.45000000000000001 109.704 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.0 ttt-85 -77.63 -56.06 4.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.35 -1.088 . . . . 3.1600000000000001 109.384 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.21 88.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 2.2200000000000002 109.423 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.62 -45.42 92.0 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.312 -0.868 . . . . 3.54 109.686 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -54.5 -57.42 11.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.347 -0.845 . . . . 0.5 109.429 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.31 -36.71 43.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 1.6599999999999999 109.96 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.91 -47.59 82.61 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 110.1 -179.449 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.407 ' CB ' HD12 ' A' ' 332' ' ' ILE . 25.5 m-85 -61.79 -53.93 49.3 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.272 -0.892 . . . . 0.34000000000000002 109.257 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.3 -37.52 36.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.4 -0.813 . . . . 2.9399999999999999 109.536 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.74 -45.17 95.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 1.74 109.693 -179.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.46 -43.76 98.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.377 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -57.26 -46.88 82.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.299 -0.876 . . . . 1.22 109.697 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.0 -35.96 80.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.72 109.736 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.01 75.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 110.129 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.97 -42.31 98.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.674 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.99 -39.47 85.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.906 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.441 HD13 ' OE1' ' B' ' 354' ' ' GLN . 13.3 tp -63.74 -44.47 93.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 109.677 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -61.37 -39.28 90.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 2.1400000000000001 109.137 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.61 -37.08 70.18 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.877 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.75 87.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.855 . . . . 1.3 109.386 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.434 ' OE1' HD13 ' B' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.4199999999999999 109.559 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.549 -0.537 . . . . 1.6100000000000001 109.549 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.43 155.89 16.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.96999999999999997 109.513 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 64.3 m-85 -140.22 -170.57 3.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.59999999999999998 109.659 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 38.9 p -153.81 155.49 35.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.1000000000000001 109.398 -179.833 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.93 131.82 16.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.286 -0.884 . . . . 1.1000000000000001 109.451 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.65 33.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 1.3600000000000001 109.185 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.408 HD12 ' CB ' ' B' ' 341' ' ' PHE . 45.8 mt -123.98 116.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.182 -0.949 . . . . 1.1699999999999999 109.608 -179.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -74.21 148.84 41.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.348 -0.845 . . . . 2.79 109.584 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.21 136.98 8.06 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.834 -1.306 . . . . 0.47999999999999998 109.834 179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.505 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.0 ttt-85 -77.54 -56.07 4.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -1.129 . . . . 3.2200000000000002 109.418 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.97 88.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.869 . . . . 2.21 109.481 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.244 -0.91 . . . . 3.5499999999999998 109.702 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.8 t80 -54.56 -57.39 11.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.52000000000000002 109.449 -179.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -51.3 -36.68 43.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.6799999999999999 109.975 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.178 -0.951 . . . . 1.1499999999999999 110.092 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CB ' HD12 ' B' ' 332' ' ' ILE . 25.5 m-85 -61.8 -53.84 50.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 0.33000000000000002 109.264 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.34 -37.49 37.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.358 -0.839 . . . . 3.02 109.611 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.59 -45.28 94.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 1.75 109.704 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.433 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -57.31 -46.94 82.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.21 109.605 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.85 -36.1 80.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.6899999999999999 109.714 -179.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.1 75.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.378 -0.826 . . . . 1.0600000000000001 110.12 -179.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.93 -42.25 97.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 1.0800000000000001 109.724 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.91 -39.66 86.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.9299999999999999 109.767 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.434 HD13 ' OE1' ' A' ' 354' ' ' GLN . 13.3 tp -63.69 -44.48 93.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.673 -179.676 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.42 -39.15 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.426 -0.796 . . . . 2.1899999999999999 109.106 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.67 -37.13 70.41 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.571 -0.706 . . . . 1.4299999999999999 109.782 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.81 87.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 1.3100000000000001 109.405 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.441 ' OE1' HD13 ' A' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.35 -0.844 . . . . 1.3999999999999999 109.566 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.292 0.568 . . . . 2.1099999999999999 109.479 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.52 155.92 16.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 1.01 109.577 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.4 m-85 -140.2 -170.53 2.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.958 . . . . 0.57999999999999996 109.646 -179.895 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 38.5 p -153.82 155.44 35.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.1599999999999999 109.367 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.9 131.89 16.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 1.1699999999999999 109.494 -179.809 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.71 33.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -0.882 . . . . 1.8100000000000001 109.134 179.809 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.409 HD12 ' CB ' ' C' ' 341' ' ' PHE . 45.4 mt -124.02 116.73 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 1.1299999999999999 109.742 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.06 148.65 41.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 2.8199999999999998 109.572 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.07 8.17 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.765 -1.334 . . . . 0.45000000000000001 109.765 179.716 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt-85 -77.59 -56.23 4.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.26 -1.141 . . . . 3.0800000000000001 109.365 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.09 87.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 2.54 109.472 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.84 -45.3 92.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.393 -0.817 . . . . 4.1100000000000003 109.631 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.7 t80 -54.55 -57.43 11.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.56999999999999995 109.474 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.16 -36.74 42.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.6599999999999999 109.99 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.97 -47.58 82.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.252 -0.905 . . . . 1.29 110.033 -179.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.409 ' CB ' HD12 ' C' ' 332' ' ' ILE . 25.4 m-85 -61.94 -53.82 50.41 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.187 -0.945 . . . . 0.40000000000000002 109.248 -179.865 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -50.3 -37.49 36.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.314 -0.866 . . . . 3.8500000000000001 109.587 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.73 -45.13 95.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.107 -0.995 . . . . 1.78 109.696 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.68 -43.53 98.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.351 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.35 -46.93 82.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 1.2 109.573 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -36.12 80.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.354 -0.841 . . . . 2.1200000000000001 109.803 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.07 75.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 1.0700000000000001 110.128 -179.571 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.9 -42.34 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 1.1399999999999999 109.652 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.92 -39.6 86.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.29 -0.881 . . . . 2.0899999999999999 109.841 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.66 -44.49 93.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 1.3799999999999999 109.714 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.38 -39.17 89.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.362 -0.837 . . . . 2.6800000000000002 109.177 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.66 -37.05 70.28 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.546 -0.721 . . . . 1.3400000000000001 109.864 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.86 87.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 1.3 109.479 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.331 -0.856 . . . . 1.8 109.597 179.874 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.438 -0.578 . . . . 1.6699999999999999 109.438 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 11.8 m-85 -94.57 155.96 16.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.01 109.501 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.6 m-85 -140.23 -170.51 2.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -0.945 . . . . 0.63 109.637 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.0 p -153.81 155.41 35.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.1299999999999999 109.369 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.92 131.9 16.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 1.1000000000000001 109.484 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 31.7 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 1.3700000000000001 109.13 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.401 HD12 ' CB ' ' D' ' 341' ' ' PHE . 45.3 mt -123.98 116.72 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.709 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -74.0 148.76 41.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.347 -0.846 . . . . 2.77 109.564 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.33 136.96 8.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.76 -1.336 . . . . 0.42999999999999999 109.76 179.668 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.51 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 2.0 ttt-85 -77.54 -56.12 4.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.228 -1.16 . . . . 3.1200000000000001 109.412 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -43.04 88.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.42 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.71 -45.43 92.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.3 -0.875 . . . . 3.5 109.687 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.8 t80 -54.56 -57.37 11.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.5 109.486 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.22 -36.83 43.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.317 -0.865 . . . . 1.6899999999999999 109.95 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.8 -47.7 82.32 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 1.1399999999999999 110.104 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.401 ' CB ' HD12 ' D' ' 332' ' ' ILE . 25.3 m-85 -61.74 -53.91 49.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.32000000000000001 109.178 -179.866 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.39 -37.45 37.65 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.433 -0.792 . . . . 2.96 109.546 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.64 -45.25 94.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.22 -0.925 . . . . 1.75 109.632 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.63 -43.54 98.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.167 -0.958 . . . . 1.0800000000000001 109.42 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.3 -46.96 82.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.22 109.668 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.86 -36.02 79.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 1.73 109.813 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 1.0700000000000001 110.112 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.92 -42.42 98.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.1100000000000001 109.676 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -59.94 -39.57 85.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 1.9099999999999999 109.85 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.6 -44.49 93.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.712 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.47 -39.2 90.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.339 -0.851 . . . . 2.1499999999999999 109.096 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.58 -37.12 70.17 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 109.866 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.82 87.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.3 109.342 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.347 -0.846 . . . . 1.3999999999999999 109.637 179.891 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.369 0.604 . . . . 1.7 109.622 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.4 m-85 -93.55 155.37 17.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 1.04 109.401 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.0 m-85 -139.26 -170.13 2.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.65000000000000002 109.572 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.5 p -153.52 160.72 42.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.271 -0.893 . . . . 1.1399999999999999 109.561 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -149.12 133.18 17.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.272 -0.893 . . . . 1.0900000000000001 109.432 -179.79 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -85.88 130.87 34.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.253 -0.905 . . . . 1.3700000000000001 109.647 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.93 120.44 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.488 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.57 152.95 40.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 2.79 109.525 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.14 137.02 3.86 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.802 -1.319 . . . . 0.45000000000000001 109.802 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttp180 -82.98 -52.07 7.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -1.118 . . . . 3.1600000000000001 109.407 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.13 -46.75 85.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.241 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.67 -40.06 90.7 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.327 -0.858 . . . . 3.54 109.325 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' C' ' 329' ' ' THR . 55.8 t80 -55.38 -54.95 37.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.395 -0.815 . . . . 0.5 109.658 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.4 -36.02 30.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.971 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -62.7 -47.86 81.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.158 -0.964 . . . . 1.1499999999999999 109.928 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.359 -0.838 . . . . 0.34000000000000002 109.306 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.34 -36.75 44.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.875 . . . . 2.9399999999999999 109.639 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.17 -50.01 75.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.045 -1.034 . . . . 1.74 109.712 -179.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.07 -34.22 74.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 1.0700000000000001 108.849 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.24 -55.09 39.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.441 -0.787 . . . . 1.22 109.559 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.13 -28.24 69.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.785 . . . . 1.72 109.807 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.53 65.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.136 -0.978 . . . . 1.0700000000000001 110.1 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.09 -41.23 96.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.249 -0.907 . . . . 1.0800000000000001 109.639 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.44 -36.94 76.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.538 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.35 -45.08 89.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.284 -0.885 . . . . 1.1499999999999999 109.718 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.477 ' HA ' HD23 ' B' ' 350' ' ' LEU . 6.1 ttmt -61.8 -38.86 89.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.247 -0.908 . . . . 2.1400000000000001 109.136 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.1 -34.41 65.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 1.4299999999999999 109.621 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.68 70.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.347 -0.846 . . . . 1.3 109.589 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.4199999999999999 109.783 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.294 0.569 . . . . 1.6100000000000001 109.632 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.7 m-85 -93.54 155.4 17.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 0.96999999999999997 109.337 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -139.24 -170.03 2.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.59999999999999998 109.579 -179.897 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.483 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.5 p -153.59 160.63 42.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.144 -0.973 . . . . 1.1000000000000001 109.546 -179.823 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.5 tp -149.11 133.21 17.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.1000000000000001 109.408 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 36.3 tt0 -85.9 131.05 34.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 1.3600000000000001 109.64 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.02 120.46 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 109.451 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.66 152.86 40.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.249 -0.907 . . . . 2.79 109.526 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.28 136.95 3.92 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.81 -1.316 . . . . 0.47999999999999998 109.81 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 18.2 ttp180 -82.96 -52.16 6.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.343 -1.092 . . . . 3.2200000000000002 109.384 179.852 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.93 -46.94 84.25 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 2.21 109.205 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.52 -40.23 90.71 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.339 -0.851 . . . . 3.5499999999999998 109.341 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' D' ' 329' ' ' THR . 55.9 t80 -55.29 -54.93 37.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.52000000000000002 109.721 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.42 -36.03 31.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.813 . . . . 1.6799999999999999 109.91 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.58 -47.9 81.79 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.122 -0.986 . . . . 1.1499999999999999 109.977 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.3 -51.31 69.41 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.159 -0.963 . . . . 0.33000000000000002 109.254 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.44 -36.76 45.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 3.02 109.599 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.13 -49.97 75.53 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.942 . . . . 1.75 109.752 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.99 -34.33 74.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 108.919 179.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.16 -55.16 38.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.427 -0.795 . . . . 1.21 109.519 179.644 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.09 -28.2 69.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 1.6899999999999999 109.821 -179.716 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.47 65.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 1.0600000000000001 110.053 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.13 -41.14 96.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.84 . . . . 1.0800000000000001 109.676 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.4 -37.01 76.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.898 . . . . 1.9299999999999999 109.554 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 351' ' ' LYS . 4.8 tp -64.31 -45.08 89.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.429 -0.794 . . . . 1.1399999999999999 109.78 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.72 -38.9 89.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.333 -0.854 . . . . 2.1899999999999999 109.178 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.08 -34.49 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.461 -0.775 . . . . 1.4299999999999999 109.572 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -47.69 70.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.533 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 1.3999999999999999 109.795 -179.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.322 0.582 . . . . 2.1099999999999999 109.557 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 13.4 m-85 -93.61 155.39 17.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.282 -0.887 . . . . 1.01 109.34 179.897 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.3 m-85 -139.23 -170.04 2.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.159 -0.963 . . . . 0.57999999999999996 109.632 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.8 p -153.56 160.69 42.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 109.586 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -149.12 133.16 17.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 1.1699999999999999 109.448 -179.748 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -86.01 130.92 34.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.8100000000000001 109.624 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -123.9 120.34 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 1.1299999999999999 109.533 179.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.92 40.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.176 -0.953 . . . . 2.8199999999999998 109.589 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 136.99 3.84 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.857 -1.297 . . . . 0.45000000000000001 109.857 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.0 ttp180 -83.0 -51.98 7.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -1.118 . . . . 3.0800000000000001 109.49 179.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.0 -46.78 84.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 2.54 109.324 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.74 -40.13 91.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.327 -0.858 . . . . 4.1100000000000003 109.338 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 55.9 t80 -55.37 -54.88 38.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.406 -0.808 . . . . 0.56999999999999995 109.746 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -35.98 30.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.992 -179.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.64 -47.82 82.03 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.14 -0.975 . . . . 1.29 109.982 -179.618 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.38 -51.17 69.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.40000000000000002 109.301 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.5 -36.73 45.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 3.8500000000000001 109.696 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 1.78 109.734 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . 0.413 HD21 HD21 ' D' ' 344' ' ' LEU . 55.4 mt -60.96 -34.39 74.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 1.1699999999999999 108.846 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.19 -55.08 39.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.432 -0.793 . . . . 1.2 109.521 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.13 -28.22 69.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 2.1200000000000001 109.828 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.41 65.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 110.095 -179.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.06 -41.33 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.1399999999999999 109.645 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.27 -37.06 76.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 2.0899999999999999 109.53 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.28 -45.03 89.83 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.769 -179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.78 -38.85 89.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 2.6800000000000002 109.166 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.1 -34.39 65.97 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.463 -0.773 . . . . 1.3400000000000001 109.622 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -47.76 69.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.308 -0.87 . . . . 1.3 109.56 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 1.8 109.706 -179.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.33 0.586 . . . . 1.6699999999999999 109.581 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 13.2 m-85 -93.69 155.44 17.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 1.01 109.3 179.858 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 67.0 m-85 -139.29 -170.12 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.018 . . . . 0.63 109.554 -179.747 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.6 p -153.42 160.78 42.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.1299999999999999 109.618 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.5 tp -149.22 133.17 17.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 1.1000000000000001 109.393 -179.816 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.96 130.98 34.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.311 -0.868 . . . . 1.3700000000000001 109.666 -179.798 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.99 120.46 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.925 . . . . 1.1499999999999999 109.472 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.91 40.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.215 -0.928 . . . . 2.77 109.601 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.17 137.0 3.87 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.819 -1.312 . . . . 0.42999999999999999 109.819 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 18.1 ttp180 -83.01 -52.16 6.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.345 -1.091 . . . . 3.1200000000000001 109.315 179.871 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.89 -46.98 84.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 2.2200000000000002 109.313 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.51 -40.1 90.18 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.409 -0.807 . . . . 3.5 109.462 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.0 t80 -55.33 -54.97 36.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.5 109.731 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -36.06 30.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 1.6899999999999999 109.91 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.56 -48.03 81.26 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.193 -0.942 . . . . 1.1399999999999999 109.816 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.23 -51.28 69.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.32000000000000001 109.31 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.44 -36.66 44.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 2.96 109.736 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.12 -50.1 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 1.75 109.729 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.413 HD21 HD21 ' C' ' 344' ' ' LEU . 55.4 mt -60.89 -34.34 74.5 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.205 -0.935 . . . . 1.0800000000000001 108.905 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.22 -55.18 38.15 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.382 -0.824 . . . . 1.22 109.51 179.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.95 -28.3 69.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.482 -0.761 . . . . 1.73 109.909 -179.795 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.84 -52.49 65.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.103 -0.998 . . . . 1.0700000000000001 110.068 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.08 -41.22 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 1.1100000000000001 109.706 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -37.03 76.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.9099999999999999 109.454 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.33 -45.13 89.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.21 -0.932 . . . . 1.1699999999999999 109.657 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.66 -38.98 89.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 2.1499999999999999 109.223 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.04 -34.51 65.96 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.414 -0.804 . . . . 1.4399999999999999 109.545 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.77 70.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 1.3 109.607 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 1.3999999999999999 109.67 -179.808 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.423 -0.584 . . . . 1.7 109.423 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -93.11 156.93 16.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 1.04 109.582 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.2 m-85 -138.89 -169.08 2.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.65000000000000002 109.574 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.31 158.24 41.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 1.1399999999999999 109.368 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.9 tp -148.67 134.83 19.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 1.0900000000000001 109.51 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -86.66 129.47 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.348 -0.845 . . . . 1.3700000000000001 109.514 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.409 HG23 ' HA ' ' A' ' 338' ' ' PHE . 34.5 mt -123.97 115.32 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 1.1499999999999999 109.611 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 149.25 41.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 2.79 109.468 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.13 137.76 6.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.734 -1.346 . . . . 0.45000000000000001 109.734 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 10.7 ttm180 -83.91 -51.54 7.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -1.198 . . . . 3.1600000000000001 109.475 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.63 -46.24 87.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 2.2200000000000002 109.654 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.51 -42.21 95.94 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.331 -0.855 . . . . 3.54 109.529 -179.718 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.409 ' HA ' HG23 ' A' ' 332' ' ' ILE . 76.2 t80 -55.56 -52.82 62.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.5 109.773 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.19 -37.06 44.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.174 -179.537 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.83 -48.2 80.1 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.127 -0.983 . . . . 1.1499999999999999 110.026 -179.289 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.93 -49.0 79.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.34000000000000002 109.345 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.49 -40.84 60.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 2.9399999999999999 109.7 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 1.74 109.87 -179.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -62.77 -46.31 88.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.577 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -57.97 -46.94 84.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.339 -0.85 . . . . 1.22 109.648 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -34.37 76.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.72 109.827 -179.619 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -53.43 57.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.856 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.01 -40.33 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 109.513 -179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.11 -35.98 76.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -0.851 . . . . 1.9099999999999999 109.474 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.36 -44.01 92.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 1.1499999999999999 109.279 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.41 -43.32 99.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 2.1400000000000001 108.863 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.15 -30.24 64.27 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 1.4299999999999999 109.388 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.28 -46.09 81.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.388 -0.82 . . . . 1.3 109.278 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.4199999999999999 109.396 179.678 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.387 -0.597 . . . . 1.6100000000000001 109.387 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.24 156.98 16.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.908 . . . . 0.96999999999999997 109.552 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.9 m-85 -138.95 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.59999999999999998 109.475 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.3 p -153.32 158.25 41.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 1.1000000000000001 109.401 -179.838 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.61 134.81 19.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 1.1000000000000001 109.571 -179.662 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.73 129.34 34.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 1.3600000000000001 109.476 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.418 HG23 ' HA ' ' B' ' 338' ' ' PHE . 34.4 mt -123.87 115.49 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 1.1699999999999999 109.672 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 149.36 41.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 2.79 109.468 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.03 137.83 6.89 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.78 -1.328 . . . . 0.47999999999999998 109.78 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 10.7 ttm180 -83.95 -51.39 7.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -1.148 . . . . 3.2200000000000002 109.516 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.86 -46.11 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.21 109.575 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.57 -42.12 95.99 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.253 -0.904 . . . . 3.5499999999999998 109.564 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.418 ' HA ' HG23 ' B' ' 332' ' ' ILE . 76.5 t80 -55.55 -52.94 62.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.52000000000000002 109.758 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.15 -37.09 44.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.6799999999999999 110.166 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.81 -48.09 80.6 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.153 -0.967 . . . . 1.1499999999999999 110.122 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -49.09 78.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.33000000000000002 109.313 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.37 -40.98 60.3 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.312 -0.868 . . . . 3.02 109.667 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.41 -41.34 97.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.149 -0.969 . . . . 1.75 109.855 -179.756 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.74 -46.42 88.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 1.0700000000000001 109.566 -179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -57.99 -46.74 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.385 -0.822 . . . . 1.21 109.77 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -34.31 76.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.803 -179.652 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.71 -53.42 57.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 1.0600000000000001 109.837 -179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.04 -40.35 93.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 1.0800000000000001 109.571 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.06 -36.0 76.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.9299999999999999 109.48 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.403 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.8 tt -64.27 -44.12 92.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.295 -0.878 . . . . 1.1399999999999999 109.266 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.32 99.06 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.41 -0.806 . . . . 2.1899999999999999 108.97 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.23 -30.15 64.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.381 179.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.97 81.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.42 -0.8 . . . . 1.3100000000000001 109.344 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 1.3999999999999999 109.476 179.556 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.385 -0.598 . . . . 2.1099999999999999 109.385 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.28 156.91 16.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.109 -0.994 . . . . 1.01 109.507 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.0 m-85 -138.84 -169.18 2.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.444 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -153.2 158.4 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 1.1599999999999999 109.399 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.8 134.84 19.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 1.1699999999999999 109.573 -179.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.4 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.356 -0.84 . . . . 1.8100000000000001 109.454 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.7 mt -123.95 115.45 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.184 -0.948 . . . . 1.1299999999999999 109.576 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 149.27 41.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 2.8199999999999998 109.497 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.08 137.8 6.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.755 -1.338 . . . . 0.45000000000000001 109.755 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 10.7 ttm180 -83.94 -51.44 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -1.119 . . . . 3.0800000000000001 109.489 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.8 -46.21 88.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.865 . . . . 2.54 109.591 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.46 -42.17 95.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.284 -0.885 . . . . 4.1100000000000003 109.632 -179.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.56 -52.9 62.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.372 -0.83 . . . . 0.56999999999999995 109.765 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.08 -37.18 44.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.88 . . . . 1.6599999999999999 110.123 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.91 -48.01 80.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.098 -1.001 . . . . 1.29 110.118 -179.198 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.04 -48.87 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.115 -0.99 . . . . 0.40000000000000002 109.412 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.43 -40.89 60.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 3.8500000000000001 109.645 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.53 -41.29 97.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.186 -0.946 . . . . 1.78 109.841 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.73 -46.34 88.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 1.1699999999999999 109.562 -179.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -58.03 -46.86 84.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 1.2 109.762 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -34.57 76.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 2.1200000000000001 109.885 -179.739 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.5 -53.5 56.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.301 -0.874 . . . . 1.0700000000000001 109.916 -179.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.03 -40.37 93.32 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.306 -0.871 . . . . 1.1399999999999999 109.543 -179.676 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.04 -36.05 76.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 2.0899999999999999 109.412 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.4 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.8 tt -64.31 -44.02 92.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.358 -0.839 . . . . 1.3799999999999999 109.358 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.35 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.399 -0.813 . . . . 2.6800000000000002 108.951 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.08 -30.36 64.25 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.624 -0.673 . . . . 1.3400000000000001 109.388 179.462 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.99 82.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.483 -0.761 . . . . 1.3 109.432 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.23 -0.919 . . . . 1.8 109.369 179.672 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.414 -0.587 . . . . 1.6699999999999999 109.414 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -93.07 157.05 16.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.01 109.536 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.0 m-85 -138.89 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.63 109.58 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.26 158.32 41.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 1.1299999999999999 109.464 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.71 134.82 19.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 1.1000000000000001 109.557 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.67 129.31 34.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.452 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' D' ' 338' ' ' PHE . 34.8 mt -123.92 115.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 1.1499999999999999 109.634 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 149.25 41.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 2.77 109.509 179.784 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.16 137.79 6.95 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.717 -1.353 . . . . 0.42999999999999999 109.717 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 10.7 ttm180 -83.92 -51.51 7.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 3.1200000000000001 109.418 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.87 -46.05 88.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 2.2200000000000002 109.502 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.6 -42.17 96.25 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.233 -0.917 . . . . 3.5 109.515 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.407 ' HA ' HG23 ' D' ' 332' ' ' ILE . 76.7 t80 -55.57 -52.8 62.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.449 -0.782 . . . . 0.5 109.799 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.13 -37.22 44.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 110.096 -179.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.79 -48.11 80.53 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.133 -0.98 . . . . 1.1399999999999999 110.062 -179.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.13 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.32000000000000001 109.276 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -51.54 -40.88 60.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.312 -0.868 . . . . 2.96 109.582 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -41.27 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 1.75 109.807 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.68 -46.48 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.135 -0.978 . . . . 1.0800000000000001 109.552 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.03 -46.81 84.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.851 . . . . 1.22 109.705 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -34.33 76.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.73 109.941 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.34 58.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.875 -179.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.16 -40.28 93.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.866 . . . . 1.1100000000000001 109.473 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.09 -36.03 76.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.87 . . . . 1.9099999999999999 109.36 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.32 -44.02 92.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 1.1699999999999999 109.296 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.38 98.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.346 -0.846 . . . . 2.1499999999999999 108.942 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.07 -30.31 64.18 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.577 -0.702 . . . . 1.4399999999999999 109.42 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.94 82.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.379 -0.825 . . . . 1.3 109.371 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.3999999999999999 109.384 179.579 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.165 -0.68 . . . . 1.7 109.165 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -92.05 155.06 18.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.977 . . . . 1.04 109.657 -179.675 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.5 m-85 -139.62 -168.97 2.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.389 -0.819 . . . . 0.65000000000000002 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -152.87 160.16 43.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.138 -0.976 . . . . 1.1399999999999999 109.527 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.2 tp -148.92 133.13 17.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 1.0900000000000001 109.59 -179.816 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 16.1 tt0 -85.62 129.86 34.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.27 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.34 110.9 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 1.1499999999999999 109.593 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 145.15 46.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 2.79 109.383 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.33 8.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.61 -1.396 . . . . 0.45000000000000001 109.61 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CB ' ' CZ ' ' A' ' 335' ' ' ARG . 0.8 OUTLIER -78.27 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 3.1600000000000001 109.4 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.25 -40.14 81.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.2200000000000002 109.571 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.25 -44.88 96.53 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.365 -0.835 . . . . 3.54 109.674 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.87 -53.27 57.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 0.5 109.545 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -50.93 -34.27 27.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.793 -179.78 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.6 ttp -62.91 -49.01 76.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.118 -0.989 . . . . 1.1499999999999999 109.885 -179.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.09 -53.42 57.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.151 -0.968 . . . . 0.34000000000000002 109.234 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -51.01 -34.64 30.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.9399999999999999 109.55 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -50.28 74.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 1.74 109.528 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.99 -34.2 74.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 1.0700000000000001 108.855 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.735 . . . . 1.22 109.492 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.9 -31.3 72.33 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 1.72 109.872 -179.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.4 -56.71 17.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 110.045 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.84 -41.64 96.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 1.0800000000000001 109.696 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.85 -35.2 74.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.233 -0.917 . . . . 1.9099999999999999 109.483 179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.404 ' HG ' HD22 ' B' ' 350' ' ' LEU . 19.1 tp -65.9 -42.89 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 109.422 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 31.3 ttmt -61.16 -44.32 97.49 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.704 -0.85 . . . . 2.1400000000000001 108.704 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.42 -32.79 67.23 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.579 -0.7 . . . . 1.4299999999999999 109.457 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.54 75.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 1.3 109.56 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 O-C-N 121.229 -0.919 . . . . 1.4199999999999999 109.384 179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.166 -0.679 . . . . 1.6100000000000001 109.166 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -92.1 154.95 18.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.96999999999999997 109.671 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.7 m-85 -139.63 -168.98 2.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.353 -0.842 . . . . 0.59999999999999998 109.348 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.4 p -152.8 160.25 43.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.169 -0.957 . . . . 1.1000000000000001 109.537 -179.856 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.0 133.17 17.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 1.1000000000000001 109.544 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.56 129.84 34.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.261 -0.9 . . . . 1.3600000000000001 109.311 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.48 110.83 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 109.607 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 145.04 46.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.79 109.375 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.3 8.43 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.636 -1.386 . . . . 0.47999999999999998 109.636 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.579 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.8 OUTLIER -78.21 -61.56 1.96 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -1.078 . . . . 3.2200000000000002 109.48 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.22 -40.37 81.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 2.21 109.547 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.06 -44.89 96.7 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.249 -0.907 . . . . 3.5499999999999998 109.692 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' D' ' 329' ' ' THR . 48.9 t80 -54.84 -53.17 58.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.52000000000000002 109.687 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.96 -34.35 28.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 1.6799999999999999 109.777 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.6 ttp -62.83 -49.1 76.22 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.905 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -60.92 -53.51 56.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.33000000000000002 109.25 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.6 30.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 3.02 109.451 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -50.28 74.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 1.75 109.532 -179.895 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.92 -34.34 74.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 1.0700000000000001 108.878 179.787 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.9 -53.28 60.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.458 -0.776 . . . . 1.21 109.479 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.0 -31.04 72.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 109.87 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.69 17.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.193 -0.942 . . . . 1.0600000000000001 109.928 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.8 -41.7 96.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 109.59 -179.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.84 -35.19 74.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.192 -0.943 . . . . 1.9299999999999999 109.426 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 19.2 tp -65.97 -42.89 89.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.378 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.1 -44.3 97.56 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.791 -0.818 . . . . 2.1899999999999999 108.791 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.51 -32.71 67.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.406 179.569 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.38 75.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.369 -0.832 . . . . 1.3100000000000001 109.674 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.223 -0.923 . . . . 1.3999999999999999 109.335 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.047 -0.723 . . . . 2.1099999999999999 109.047 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -92.04 154.93 18.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.98 . . . . 1.01 109.666 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 86.4 m-85 -139.64 -168.98 2.6 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.306 -0.871 . . . . 0.57999999999999996 109.401 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 40.6 p -152.84 160.05 43.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 1.1599999999999999 109.472 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.2 tp -148.73 133.21 17.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.592 -179.866 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 16.0 tt0 -85.63 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 1.8100000000000001 109.265 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.3 mt -123.36 110.92 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 1.1299999999999999 109.623 -179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 145.17 46.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 2.8199999999999998 109.305 179.813 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.43 134.33 8.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.632 -1.387 . . . . 0.45000000000000001 109.632 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.8 OUTLIER -78.19 -61.5 1.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -1.165 . . . . 3.0800000000000001 109.516 179.899 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.5 -40.13 81.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 2.54 109.439 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.2 -44.88 96.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 4.1100000000000003 109.614 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -54.86 -53.26 57.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.398 -0.814 . . . . 0.56999999999999995 109.582 -179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -50.94 -34.29 28.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.358 -0.839 . . . . 1.6599999999999999 109.746 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 10.5 ttp -62.89 -49.09 76.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.215 -0.928 . . . . 1.29 109.876 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.0 -53.43 57.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.89 . . . . 0.40000000000000002 109.274 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.62 30.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.351 -0.843 . . . . 3.8500000000000001 109.474 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -59.98 -50.23 74.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.78 109.616 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.99 -34.18 74.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.16 -0.963 . . . . 1.1699999999999999 108.937 179.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 1.2 109.521 179.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.94 -31.1 72.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.372 -0.83 . . . . 2.1200000000000001 109.812 -179.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.58 -56.88 15.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 1.0700000000000001 109.935 -179.712 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.69 -41.68 95.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.1399999999999999 109.696 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.82 -35.21 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -0.938 . . . . 2.0899999999999999 109.514 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 19.2 tp -65.93 -42.88 89.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.324 -0.86 . . . . 1.3799999999999999 109.41 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.14 -44.29 97.55 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.412 -0.805 . . . . 2.6800000000000002 108.835 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.36 -32.88 67.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.612 -0.68 . . . . 1.3400000000000001 109.48 179.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.47 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 1.3 109.647 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.175 -0.953 . . . . 1.8 109.252 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.098 -0.705 . . . . 1.6699999999999999 109.098 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.19 154.97 18.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 1.01 109.659 -179.671 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.8 m-85 -139.58 -168.98 2.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.63 109.322 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.423 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.5 p -152.88 160.17 43.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 1.1299999999999999 109.507 -179.87 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.96 133.12 17.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.395 -0.816 . . . . 1.1000000000000001 109.54 -179.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.54 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 1.3700000000000001 109.192 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.43 110.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 109.561 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 144.99 46.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.354 -0.841 . . . . 2.77 109.392 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.49 134.37 8.45 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.574 -1.41 . . . . 0.42999999999999999 109.574 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.573 ' CB ' ' CZ ' ' D' ' 335' ' ' ARG . 0.8 OUTLIER -78.24 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -1.111 . . . . 3.1200000000000001 109.474 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -58.29 -40.44 81.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.367 -0.833 . . . . 2.2200000000000002 109.468 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.0 -44.81 96.87 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.288 -0.882 . . . . 3.5 109.638 -179.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 329' ' ' THR . 48.6 t80 -54.92 -53.26 57.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.5 109.578 -179.826 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.87 -34.4 27.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 1.6899999999999999 109.742 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -62.86 -48.91 77.0 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.251 -0.906 . . . . 1.1399999999999999 109.941 -179.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.13 -53.46 56.72 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.889 . . . . 0.32000000000000001 109.212 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.02 -34.53 29.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 2.96 109.532 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -50.32 74.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.75 109.517 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.75 -34.37 74.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 1.0800000000000001 108.894 179.737 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.07 -53.18 61.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.375 -0.828 . . . . 1.22 109.469 179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.89 -31.26 72.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 1.73 109.76 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.55 -56.79 16.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.109 -0.995 . . . . 1.0700000000000001 109.955 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.67 -41.76 95.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.422 -0.799 . . . . 1.1100000000000001 109.676 -179.68 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.75 -35.27 74.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -0.927 . . . . 1.9099999999999999 109.467 179.873 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.95 -42.89 89.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.372 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.438 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 31.4 ttmt -61.15 -44.28 97.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.756 -0.831 . . . . 2.1499999999999999 108.756 179.816 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.44 -32.78 67.26 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.621 -0.674 . . . . 1.4399999999999999 109.456 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.6 76.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 1.3 109.606 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 1.3999999999999999 109.338 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.277 0.561 . . . . 1.7 109.497 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -93.26 155.81 17.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 1.04 109.336 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.8 m-85 -138.58 -169.68 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.65000000000000002 109.631 -179.839 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.3 p -154.16 156.98 38.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 1.1399999999999999 109.377 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -146.94 129.37 15.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 1.0900000000000001 109.437 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 15.2 tt0 -86.41 135.36 33.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.83 . . . . 1.3700000000000001 110.082 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 341' ' ' PHE . 46.7 mt -123.56 119.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.393 -0.817 . . . . 1.1499999999999999 109.263 179.526 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 146.49 45.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.211 -0.931 . . . . 2.79 109.731 -179.687 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 142.95 9.82 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.903 -1.279 . . . . 0.45000000000000001 109.903 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.496 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.1 ttm180 -79.65 -51.18 9.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -1.054 . . . . 3.1600000000000001 109.285 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.29 -41.03 83.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 2.2200000000000002 109.334 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.466 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -45.19 85.91 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.259 -0.901 . . . . 3.54 109.678 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' C' ' 329' ' ' THR . 47.0 t80 -55.87 -55.01 37.59 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.405 -0.809 . . . . 0.5 109.63 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.45 -38.13 41.84 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.103 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -63.88 -51.22 65.55 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.101 -0.999 . . . . 1.1499999999999999 110.519 -179.276 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' A' ' 332' ' ' ILE . 33.1 m-85 -60.93 -55.32 34.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.06 -1.025 . . . . 0.34000000000000002 109.467 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.46 -34.48 16.92 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.413 -0.805 . . . . 2.9399999999999999 109.61 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.55 -49.9 75.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.103 -0.998 . . . . 1.74 109.375 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.87 -34.53 76.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.299 -0.875 . . . . 1.0700000000000001 108.929 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -58.93 -52.84 64.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.321 -0.862 . . . . 1.22 109.423 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -31.38 72.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.875 . . . . 1.72 109.813 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -58.77 7.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 109.964 -179.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.42 -40.06 89.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 109.501 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.16 -34.62 72.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.344 -0.847 . . . . 1.9099999999999999 109.051 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.38 -39.87 92.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.406 -0.809 . . . . 1.1499999999999999 108.963 179.789 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -46.41 89.21 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.926 -0.768 . . . . 2.1400000000000001 108.926 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.06 -31.01 62.8 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.445 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.37 91.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 1.3 109.635 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.4199999999999999 109.583 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.457 -0.571 . . . . 1.6100000000000001 109.457 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -93.23 155.77 17.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.341 -0.849 . . . . 0.96999999999999997 109.312 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 91.4 m-85 -138.5 -169.65 2.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.59999999999999998 109.67 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -154.09 156.97 38.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -0.935 . . . . 1.1000000000000001 109.49 -179.87 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.96 129.47 15.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 1.1000000000000001 109.338 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 15.0 tt0 -86.51 135.42 33.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 1.3600000000000001 109.963 -179.568 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.465 HG22 ' CD2' ' B' ' 341' ' ' PHE . 47.0 mt -123.72 119.57 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.847 . . . . 1.1699999999999999 109.099 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 146.39 46.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.126 -0.984 . . . . 2.79 109.732 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.79 143.0 9.77 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.884 -1.286 . . . . 0.47999999999999998 109.884 179.703 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.1 ttm180 -79.69 -51.09 9.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.374 -1.074 . . . . 3.2200000000000002 109.286 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.32 -41.06 83.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -0.806 . . . . 2.21 109.311 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.65 -45.1 85.95 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.233 -0.917 . . . . 3.5499999999999998 109.78 179.936 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' D' ' 329' ' ' THR . 47.2 t80 -55.8 -55.01 37.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.52000000000000002 109.74 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -50.42 -38.22 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.6799999999999999 110.055 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.84 -51.29 65.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.521 -179.321 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CD2' HG22 ' B' ' 332' ' ' ILE . 32.9 m-85 -60.89 -55.43 33.1 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.148 -0.97 . . . . 0.33000000000000002 109.408 -179.579 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.45 -34.46 16.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 3.02 109.535 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.44 -49.92 75.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.986 . . . . 1.75 109.484 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.97 -34.41 76.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 108.874 179.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -59.05 -52.74 64.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.821 . . . . 1.21 109.511 179.674 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -31.45 72.63 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.6899999999999999 109.758 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.94 -58.75 7.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.28 -0.887 . . . . 1.0600000000000001 109.99 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.44 -40.17 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 1.0800000000000001 109.396 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.05 -34.67 72.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.382 -0.824 . . . . 1.9299999999999999 109.096 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.32 -39.88 93.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.348 -0.845 . . . . 1.1399999999999999 109.01 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -46.49 88.97 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.969 -0.752 . . . . 2.1899999999999999 108.969 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.08 -30.86 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.513 -0.742 . . . . 1.4299999999999999 109.512 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.26 90.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 1.3100000000000001 109.597 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 1.3999999999999999 109.583 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.311 0.577 . . . . 2.1099999999999999 109.499 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.12 155.76 17.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.234 -0.916 . . . . 1.01 109.413 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.496 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -138.49 -169.61 2.64 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.57999999999999996 109.636 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.559 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.5 p -154.22 156.96 38.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.249 -0.907 . . . . 1.1599999999999999 109.441 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.2 tp -146.98 129.4 15.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 1.1699999999999999 109.305 -179.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 15.0 tt0 -86.49 135.39 33.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 1.8100000000000001 110.014 -179.537 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' C' ' 341' ' ' PHE . 46.7 mt -123.63 119.57 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.431 -0.793 . . . . 1.1299999999999999 109.197 179.584 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.47 45.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 2.8199999999999998 109.7 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.77 142.92 9.7 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.809 -1.316 . . . . 0.45000000000000001 109.809 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.2 ttm180 -79.58 -51.12 9.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -1.068 . . . . 3.0800000000000001 109.377 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.28 -41.01 83.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.352 -0.843 . . . . 2.54 109.36 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.479 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -45.15 86.01 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.326 -0.859 . . . . 4.1100000000000003 109.72 179.906 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 329' ' ' THR . 47.4 t80 -55.87 -55.09 36.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.56999999999999995 109.618 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.34 -38.21 40.83 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.166 -0.959 . . . . 1.6599999999999999 110.105 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.85 -51.23 65.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.109 -0.994 . . . . 1.29 110.57 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.473 ' CD2' HG22 ' C' ' 332' ' ' ILE . 33.5 m-85 -60.77 -55.5 32.44 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.141 -0.974 . . . . 0.40000000000000002 109.468 -179.656 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.41 -34.46 16.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.452 -0.78 . . . . 3.8500000000000001 109.552 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.66 -49.77 76.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.129 -0.982 . . . . 1.78 109.446 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.96 -34.41 76.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 1.1699999999999999 108.949 179.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.01 -52.82 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.332 -0.855 . . . . 1.2 109.424 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -31.38 72.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.406 -0.809 . . . . 2.1200000000000001 109.791 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -58.61 7.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.94 . . . . 1.0700000000000001 109.925 -179.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.51 -40.22 90.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 1.1399999999999999 109.368 -179.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.09 -34.68 72.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.261 -0.9 . . . . 2.0899999999999999 109.06 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.21 -39.96 93.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.3799999999999999 109.055 179.655 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 0.8 OUTLIER -62.01 -46.56 88.68 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.941 -0.762 . . . . 2.6800000000000002 108.941 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.95 -31.02 62.57 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.421 -0.8 . . . . 1.3400000000000001 109.552 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.36 91.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.379 -0.826 . . . . 1.3 109.601 -179.802 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.224 -0.922 . . . . 1.8 109.432 -179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.485 -0.561 . . . . 1.6699999999999999 109.485 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.23 155.72 17.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.326 -0.859 . . . . 1.01 109.407 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 91.7 m-85 -138.42 -169.69 2.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.212 -0.93 . . . . 0.63 109.649 -179.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.6 p -154.09 157.05 38.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.949 . . . . 1.1299999999999999 109.475 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.03 129.41 15.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 1.1000000000000001 109.22 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 15.0 tt0 -86.45 135.42 33.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.3700000000000001 109.953 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' D' ' 341' ' ' PHE . 47.3 mt -123.68 119.64 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.834 . . . . 1.1499999999999999 109.146 179.525 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.41 46.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 2.77 109.745 -179.789 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.92 142.96 9.84 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.826 -1.31 . . . . 0.42999999999999999 109.826 179.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.45 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.1 ttm180 -79.61 -51.19 9.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -1.11 . . . . 3.1200000000000001 109.306 179.811 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.25 -41.08 83.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.87 . . . . 2.2200000000000002 109.338 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.46 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.66 -45.17 85.9 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.168 -0.957 . . . . 3.5 109.689 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 47.1 t80 -55.82 -55.1 36.46 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.329 -0.857 . . . . 0.5 109.68 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.36 -38.14 40.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 1.6899999999999999 110.075 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.88 -51.27 65.34 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.151 -0.968 . . . . 1.1399999999999999 110.542 -179.319 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' D' ' 332' ' ' ILE . 33.3 m-85 -60.82 -55.47 32.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 109.45 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.4 -34.49 16.43 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.445 -0.785 . . . . 2.96 109.56 179.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.46 -49.93 75.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 1.75 109.458 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.94 -34.37 75.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 1.0800000000000001 108.939 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.02 -52.87 63.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.408 -0.807 . . . . 1.22 109.431 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.0 OUTLIER -63.73 -31.43 72.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 1.73 109.737 -179.9 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.06 -58.62 7.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 1.0700000000000001 109.93 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.48 -40.19 90.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 1.1100000000000001 109.447 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.07 -34.66 72.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.895 . . . . 1.9099999999999999 109.076 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.4 tp -65.27 -39.95 93.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 1.1699999999999999 109.035 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -46.46 89.06 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.922 -0.77 . . . . 2.1499999999999999 108.922 179.721 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.04 -30.89 62.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.589 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.39 90.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.348 -0.845 . . . . 1.3 109.583 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 1.3999999999999999 109.536 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.483 -0.562 . . . . 1.7 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.53 156.57 16.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 1.04 109.461 179.807 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 75.0 m-85 -140.17 -172.01 3.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.246 -0.909 . . . . 0.65000000000000002 109.628 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.5 p -153.53 163.0 40.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 1.1399999999999999 109.494 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.3 tp -149.47 133.75 17.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 1.0900000000000001 109.403 -179.704 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.49 131.02 34.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 109.482 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.82 116.73 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.915 . . . . 1.1499999999999999 109.526 179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.9 153.88 39.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 2.79 109.615 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.83 138.72 3.19 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.77 -1.332 . . . . 0.45000000000000001 109.77 179.674 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.429 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.5 ttt180 -81.74 -51.02 8.59 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 3.1600000000000001 109.36 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.14 -46.52 85.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.504 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -41.24 93.13 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.245 -0.909 . . . . 3.54 109.479 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.42 -54.89 38.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -0.827 . . . . 0.5 109.809 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.24 -34.65 23.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 1.6599999999999999 109.902 -179.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.1 -50.08 71.93 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.106 -0.996 . . . . 1.1499999999999999 110.077 -179.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.1 -53.99 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.899 . . . . 0.34000000000000002 109.266 -179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.41 -34.43 24.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.424 -0.798 . . . . 2.9399999999999999 109.575 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.58 -50.41 73.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -0.974 . . . . 1.74 109.868 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -34.66 75.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.274 -0.891 . . . . 1.0700000000000001 108.941 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.54 57.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.506 -0.746 . . . . 1.22 109.595 179.75 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.85 76.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 1.72 110.027 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.61 55.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 110.139 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.97 -40.09 92.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 1.0800000000000001 109.557 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.41 -36.4 78.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.952 . . . . 1.9099999999999999 109.58 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.66 -48.03 76.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 109.738 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.47 -36.86 81.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.364 -0.835 . . . . 2.1400000000000001 109.194 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.5 -39.59 76.82 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.57 -0.706 . . . . 1.4299999999999999 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -45.89 75.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 1.3 109.456 -179.834 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.302 -0.874 . . . . 1.4199999999999999 109.738 -179.99 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.48 -0.563 . . . . 1.6100000000000001 109.48 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.55 156.66 16.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.38 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 75.4 m-85 -140.22 -172.17 3.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.59999999999999998 109.647 -179.828 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.406 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.8 p -153.45 162.89 40.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.1000000000000001 109.503 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.38 133.76 17.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 1.1000000000000001 109.459 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.53 131.09 34.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 1.3600000000000001 109.425 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.86 116.65 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 1.1699999999999999 109.506 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.87 153.88 39.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 2.79 109.674 179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 138.65 3.22 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.76 -1.336 . . . . 0.47999999999999998 109.76 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.5 ttt180 -81.71 -50.95 8.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -1.101 . . . . 3.2200000000000002 109.409 179.806 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.51 85.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 2.21 109.508 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -41.29 93.21 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.322 -0.861 . . . . 3.5499999999999998 109.445 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' D' ' 329' ' ' THR . 57.9 t80 -55.41 -54.88 38.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.52000000000000002 109.814 -179.845 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.2 -34.63 23.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.441 -0.787 . . . . 1.6799999999999999 109.867 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.184 -0.948 . . . . 1.1499999999999999 110.032 -179.423 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.13 -53.98 50.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.161 -0.962 . . . . 0.33000000000000002 109.292 -179.854 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.53 -34.37 25.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.371 -0.831 . . . . 3.02 109.567 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.56 -50.45 73.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.197 -0.939 . . . . 1.75 109.806 -179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.41 -34.64 75.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 109.047 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.86 -53.52 57.5 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 1.21 109.645 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.88 76.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 110.103 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 1.0600000000000001 110.142 -179.477 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.04 -39.92 91.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.219 -0.925 . . . . 1.0800000000000001 109.632 -179.517 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.56 -36.33 78.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.15 -0.969 . . . . 1.9299999999999999 109.542 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.63 -48.02 76.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.418 -0.801 . . . . 1.1399999999999999 109.785 -179.807 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' B' ' 351' ' ' LYS . 15.7 ttmm -61.49 -36.98 81.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.433 -0.792 . . . . 2.1899999999999999 109.133 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -57.37 -39.67 76.49 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.634 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.83 76.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 1.3100000000000001 109.523 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.368 -0.833 . . . . 1.3999999999999999 109.646 -179.896 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.457 -0.571 . . . . 2.1099999999999999 109.457 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.54 156.59 16.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 1.01 109.37 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 75.3 m-85 -140.13 -171.96 3.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.094 -1.004 . . . . 0.57999999999999996 109.568 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.6 p -153.6 162.92 40.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.1599999999999999 109.541 -179.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.4 tp -149.42 133.75 17.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 1.1699999999999999 109.558 -179.787 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.42 131.02 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 1.8100000000000001 109.54 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.79 116.69 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 1.1299999999999999 109.515 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.96 154.04 39.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 2.8199999999999998 109.551 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.76 138.74 3.17 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.814 -1.314 . . . . 0.45000000000000001 109.814 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.5 ttt180 -81.86 -50.87 8.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.339 -1.095 . . . . 3.0800000000000001 109.384 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.22 -46.6 85.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 2.54 109.408 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -41.2 92.8 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.848 . . . . 4.1100000000000003 109.544 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.36 -55.05 36.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 0.56999999999999995 109.747 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.17 -34.6 23.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 1.6599999999999999 109.948 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.15 -50.02 72.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.147 -0.971 . . . . 1.29 110.065 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.2 -53.84 51.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.189 -0.944 . . . . 0.40000000000000002 109.303 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.62 -34.23 25.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.844 . . . . 3.8500000000000001 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.73 -50.3 74.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.088 -1.007 . . . . 1.78 109.831 -179.706 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.41 -34.72 75.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 1.1699999999999999 109.026 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.66 55.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.512 -0.742 . . . . 1.2 109.554 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.79 76.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 110.12 -179.573 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.66 55.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 110.098 -179.501 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.87 -40.05 91.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.096 -1.003 . . . . 1.1399999999999999 109.61 -179.581 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.45 -36.39 78.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 2.0899999999999999 109.565 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.6 -48.16 75.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 1.3799999999999999 109.742 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.35 -36.97 81.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.357 -0.839 . . . . 2.6800000000000002 109.134 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.513 -0.742 . . . . 1.3400000000000001 109.595 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.91 75.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 1.3 109.487 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.8 109.668 -179.932 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.567 -0.531 . . . . 1.6699999999999999 109.567 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -94.57 156.54 16.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.96 . . . . 1.01 109.46 179.873 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 75.2 m-85 -140.13 -172.11 3.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.63 109.644 -179.777 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.6 p -153.39 163.12 40.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 1.1299999999999999 109.505 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.2 tp -149.52 133.85 17.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.491 -179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.57 131.04 34.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.309 -0.87 . . . . 1.3700000000000001 109.528 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.87 116.64 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 1.1499999999999999 109.502 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.87 153.9 39.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 2.77 109.625 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.89 138.69 3.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.802 -1.319 . . . . 0.42999999999999999 109.802 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.5 ttt180 -81.67 -51.02 8.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -1.133 . . . . 3.1200000000000001 109.435 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.15 -46.56 85.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 2.2200000000000002 109.456 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.38 92.81 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.224 -0.922 . . . . 3.5 109.446 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' B' ' 329' ' ' THR . 57.9 t80 -55.42 -54.88 38.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.822 . . . . 0.5 109.777 -179.811 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -50.22 -34.68 23.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.938 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.99 -50.18 71.78 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.122 -0.987 . . . . 1.1399999999999999 110.086 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -61.06 -53.93 51.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.32000000000000001 109.317 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.6 -34.3 25.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 2.96 109.582 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.58 -50.38 73.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.75 109.78 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.47 -34.64 75.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.323 -0.861 . . . . 1.0800000000000001 109.005 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.92 -53.47 58.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.409 -0.807 . . . . 1.22 109.628 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.74 76.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.313 -0.867 . . . . 1.73 110.09 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.6 55.91 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 110.122 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.01 -39.89 91.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.183 -0.948 . . . . 1.1100000000000001 109.677 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.51 -36.38 78.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.9099999999999999 109.593 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.49 -48.17 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 1.1699999999999999 109.78 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.4 -37.01 81.9 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 2.1499999999999999 109.165 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.33 -39.68 76.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.56 -0.712 . . . . 1.4399999999999999 109.656 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.92 75.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 1.3 109.478 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.3999999999999999 109.684 -179.884 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.28 0.562 . . . . 1.7 109.592 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.63 158.85 15.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.285 -0.884 . . . . 1.04 109.342 179.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.4 m-85 -138.96 -169.35 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.65000000000000002 109.558 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.505 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 14.7 p -153.69 157.82 40.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 1.1399999999999999 109.398 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.5 tp -148.61 132.78 17.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 1.0900000000000001 109.632 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 3.2 tt0 -87.01 128.02 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.3700000000000001 109.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.77 118.74 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.96 . . . . 1.1499999999999999 109.691 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.6 OUTLIER -74.51 148.56 40.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.404 -0.81 . . . . 2.79 109.777 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.67 140.91 11.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.893 -1.283 . . . . 0.45000000000000001 109.893 179.559 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.0 ttp180 -82.39 -59.24 2.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -1.095 . . . . 3.1600000000000001 109.379 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.32 -42.48 86.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.862 . . . . 2.2200000000000002 109.347 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.543 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.22 96.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 3.54 109.058 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.8 t80 -56.18 -56.83 16.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.481 -0.762 . . . . 0.5 109.68 179.773 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.58 -34.44 25.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.425 -0.797 . . . . 1.6599999999999999 109.737 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -61.91 -48.54 80.01 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 1.1499999999999999 109.609 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.34 -50.39 73.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.34000000000000002 109.171 179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.3 OUTLIER -51.15 -36.61 41.76 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.399 -0.813 . . . . 2.9399999999999999 109.488 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.96 . . . . 1.74 109.873 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.82 -45.23 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.488 -179.779 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -57.96 -44.69 87.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -0.878 . . . . 1.22 109.595 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.54 -38.81 91.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -0.904 . . . . 1.72 109.622 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.11 -49.56 77.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.868 -179.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 42.8 mt -61.41 -41.78 97.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 1.0800000000000001 109.679 -179.664 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.75 -37.46 81.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 109.651 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -64.22 -46.06 85.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 1.1499999999999999 109.514 -179.653 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.384 -0.823 . . . . 2.1400000000000001 109.008 179.884 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.64 -36.56 72.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.627 179.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.26 75.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.902 . . . . 1.3 109.735 -179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 1.4199999999999999 109.598 -179.918 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.288 0.566 . . . . 1.6100000000000001 109.588 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.62 158.87 15.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.96999999999999997 109.33 179.802 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.3 m-85 -138.92 -169.33 2.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.59999999999999998 109.5 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 14.6 p -153.64 157.75 40.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 1.1000000000000001 109.482 -179.792 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -148.59 132.92 17.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 1.1000000000000001 109.552 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 3.2 tt0 -87.1 128.01 35.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.507 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.73 118.84 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -0.983 . . . . 1.1699999999999999 109.718 179.876 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER -74.64 148.74 40.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 2.79 109.712 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.52 140.98 10.97 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.964 -1.255 . . . . 0.47999999999999998 109.964 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 36.0 ttp180 -82.48 -59.26 2.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.391 -1.064 . . . . 3.2200000000000002 109.363 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.34 -42.69 87.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 2.21 109.254 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.26 -44.23 95.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 3.5499999999999998 109.11 179.941 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.5 t80 -56.27 -56.83 16.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.546 -0.721 . . . . 0.52000000000000002 109.656 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -50.52 -34.37 25.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.822 . . . . 1.6799999999999999 109.731 -179.723 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.03 -48.42 80.34 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.228 -0.92 . . . . 1.1499999999999999 109.637 -179.602 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.42 -50.39 73.03 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.236 -0.915 . . . . 0.33000000000000002 109.157 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.3 OUTLIER -51.12 -36.6 41.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 3.02 109.46 179.829 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.89 -45.03 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.935 . . . . 1.75 109.783 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.73 -45.23 94.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.609 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.89 -44.71 86.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.91 . . . . 1.21 109.692 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.55 -38.63 90.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.649 -179.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.39 77.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.345 -0.847 . . . . 1.0600000000000001 109.837 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 42.9 mt -61.46 -41.78 97.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.615 -179.728 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.89 -37.39 82.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.9299999999999999 109.673 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.0 OUTLIER -64.25 -46.08 85.35 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.419 -0.801 . . . . 1.1399999999999999 109.586 -179.768 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -61.59 -38.4 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.371 -0.831 . . . . 2.1899999999999999 109.003 179.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.64 72.17 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.548 -0.72 . . . . 1.4299999999999999 109.643 179.749 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.37 75.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 1.3100000000000001 109.685 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.412 ' NE2' HD12 ' A' ' 350' ' ' LEU . 15.8 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.164 -0.96 . . . . 1.3999999999999999 109.516 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.233 0.54 . . . . 2.1099999999999999 109.668 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -93.65 158.95 15.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.876 . . . . 1.01 109.335 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -138.99 -169.32 2.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.57999999999999996 109.491 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 14.8 p -153.65 157.81 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 1.1599999999999999 109.501 -179.793 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.4 tp -148.64 132.89 17.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 1.1699999999999999 109.581 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 3.2 tt0 -87.04 127.96 35.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 1.8100000000000001 109.584 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.67 118.84 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 1.1299999999999999 109.67 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.6 OUTLIER -74.59 148.63 40.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.36 -0.837 . . . . 2.8199999999999998 109.77 179.945 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.54 140.89 10.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.964 -1.255 . . . . 0.45000000000000001 109.964 179.622 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.0 ttp180 -82.27 -59.32 2.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.38 -1.07 . . . . 3.0800000000000001 109.416 179.823 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -58.32 -42.5 86.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 2.54 109.317 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.14 96.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.245 -0.909 . . . . 4.1100000000000003 109.029 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.5 t80 -56.35 -56.75 17.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.538 -0.726 . . . . 0.56999999999999995 109.628 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.59 -34.32 25.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 1.6599999999999999 109.812 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -61.96 -48.41 80.49 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.218 -0.926 . . . . 1.29 109.72 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.46 -50.41 72.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.40000000000000002 109.074 179.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.447 ' NH1' ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.11 -36.63 41.41 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.351 -0.843 . . . . 3.8500000000000001 109.495 179.877 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.78 -45.04 95.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.78 109.838 -179.85 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.76 -45.26 94.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 1.1699999999999999 109.521 -179.735 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -57.87 -44.72 86.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.2 109.751 -179.933 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.55 -38.6 90.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 2.1200000000000001 109.641 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.47 77.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.89 -179.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 42.8 mt -61.35 -41.87 97.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.41 -0.807 . . . . 1.1399999999999999 109.654 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.77 -37.35 81.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 2.0899999999999999 109.657 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 0.9 OUTLIER -64.32 -46.11 84.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.417 -0.802 . . . . 1.3799999999999999 109.502 -179.655 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -61.52 -38.53 87.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 2.6800000000000002 108.966 179.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.651 -0.655 . . . . 1.3400000000000001 109.695 179.746 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.33 75.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 1.3 109.628 -179.708 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 1.8 109.639 -179.924 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.313 0.578 . . . . 1.6699999999999999 109.557 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.49 158.95 15.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 1.01 109.324 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.7 m-85 -139.01 -169.44 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.214 -0.929 . . . . 0.63 109.539 -179.91 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 14.9 p -153.63 157.73 40.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 1.1299999999999999 109.507 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.5 tp -148.52 132.85 17.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.1000000000000001 109.647 -179.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 3.2 tt0 -87.06 128.1 35.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.3700000000000001 109.475 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.8 118.74 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 1.1499999999999999 109.7 179.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.6 OUTLIER -74.5 148.73 40.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.77 109.68 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.55 140.83 10.89 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.42999999999999999 109.904 179.488 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 36.0 ttp180 -82.35 -59.21 2.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.282 -1.129 . . . . 3.1200000000000001 109.414 179.857 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -58.42 -42.59 87.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.274 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.532 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.35 -44.22 95.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.389 -0.819 . . . . 3.5 109.061 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.4 t80 -56.3 -56.72 17.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.53 -0.731 . . . . 0.5 109.645 179.932 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -50.63 -34.38 25.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.6899999999999999 109.73 -179.716 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -62.02 -48.44 80.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.15 -0.968 . . . . 1.1399999999999999 109.682 -179.668 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.37 -50.36 73.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.266 -0.896 . . . . 0.32000000000000001 109.188 179.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.448 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.3 OUTLIER -51.19 -36.57 41.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.416 -0.803 . . . . 2.96 109.5 179.804 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -45.03 95.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 1.75 109.825 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.76 -45.3 94.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.0800000000000001 109.535 -179.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -57.9 -44.75 86.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 1.22 109.664 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.53 -38.64 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.281 -0.887 . . . . 1.73 109.625 -179.842 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.48 77.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 109.9 -179.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 42.7 mt -61.31 -41.88 97.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.881 . . . . 1.1100000000000001 109.637 -179.769 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.9 -37.34 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 1.9099999999999999 109.609 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 0.9 OUTLIER -64.29 -45.97 85.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 1.1699999999999999 109.532 -179.683 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.36 -0.838 . . . . 2.1499999999999999 109.031 179.841 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.45 71.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.568 -0.708 . . . . 1.4399999999999999 109.596 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.3 75.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 1.3 109.647 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.934 . . . . 1.3999999999999999 109.583 -179.914 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 108.787 -0.82 . . . . 1.7 108.787 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.13 148.13 22.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 1.04 109.943 -179.501 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 66.2 m-85 -138.29 -168.14 2.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.41 -0.807 . . . . 0.65000000000000002 109.216 179.935 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 37.3 p -153.48 157.73 40.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 1.1399999999999999 109.29 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.75 131.35 14.89 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.299 -0.876 . . . . 1.0900000000000001 109.582 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.9 tt0 -86.38 131.0 34.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 1.3700000000000001 109.195 179.768 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 118.36 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 109.552 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.72 151.39 40.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -0.832 . . . . 2.79 109.445 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.95 135.15 4.25 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.672 -1.371 . . . . 0.45000000000000001 109.672 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.38 -51.23 9.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 3.1600000000000001 109.522 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.14 -45.7 86.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.8 . . . . 2.2200000000000002 109.42 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 1.4 ttt180 -60.29 -41.2 92.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.307 -0.87 . . . . 3.54 109.491 -179.811 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' C' ' 329' ' ' THR . 83.3 t80 -55.02 -55.0 35.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.458 -0.776 . . . . 0.5 109.664 -179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -51.05 -37.1 43.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 109.93 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.0 -50.47 70.62 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 110.182 -179.242 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -60.17 -55.56 32.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.34000000000000002 109.232 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.58 -36.19 33.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.486 -0.759 . . . . 2.9399999999999999 109.632 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.92 -45.0 96.41 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.115 -0.991 . . . . 1.74 109.758 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.2 -43.96 98.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.836 . . . . 1.0700000000000001 109.458 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -58.24 -46.01 86.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.22 109.811 -179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -38.68 91.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 1.72 110.03 -179.637 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.91 52.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 1.0700000000000001 110.038 -179.556 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.481 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 25.8 mt -60.68 -40.75 93.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 109.648 -179.59 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.84 -35.91 75.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 1.9099999999999999 109.422 179.844 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.63 -45.9 84.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 1.1499999999999999 109.213 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.29 -37.44 83.2 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.406 -0.809 . . . . 2.1400000000000001 108.858 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -57.7 -32.66 67.59 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.602 -0.686 . . . . 1.4299999999999999 109.472 179.644 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.04 85.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 1.3 109.333 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 1.4199999999999999 109.59 179.773 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 108.815 -0.809 . . . . 1.6100000000000001 108.815 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.1 148.18 22.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.96999999999999997 109.84 -179.438 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 66.2 m-85 -138.3 -168.17 2.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.393 -0.817 . . . . 0.59999999999999998 109.257 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.436 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.0 p -153.52 157.72 40.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 1.1000000000000001 109.282 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.72 131.4 14.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.189 -0.945 . . . . 1.1000000000000001 109.569 -179.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.9 tt0 -86.35 130.9 34.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.322 -0.861 . . . . 1.3600000000000001 109.218 179.744 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.82 118.35 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.582 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.78 151.14 40.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.368 -0.833 . . . . 2.79 109.576 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.34 135.18 4.46 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.623 -1.391 . . . . 0.47999999999999998 109.623 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.37 -51.3 9.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 3.2200000000000002 109.518 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.15 -45.64 87.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 2.21 109.341 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.4 ttt180 -60.46 -41.12 93.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.275 -0.891 . . . . 3.5499999999999998 109.477 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' D' ' 329' ' ' THR . 83.5 t80 -55.07 -55.01 35.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.338 -0.851 . . . . 0.52000000000000002 109.68 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -51.03 -37.06 43.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 1.6799999999999999 109.873 -179.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.03 -50.48 70.49 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.208 -0.932 . . . . 1.1499999999999999 110.224 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -60.1 -55.64 31.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.33000000000000002 109.235 -179.745 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.54 -36.19 33.16 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.418 -0.801 . . . . 3.02 109.605 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.88 -44.99 96.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.75 109.813 -179.756 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.34 -43.79 98.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.474 -179.859 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.29 -45.98 86.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.867 . . . . 1.21 109.813 -179.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.83 92.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 110.011 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.84 53.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.878 . . . . 1.0600000000000001 110.093 -179.64 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 25.8 mt -60.67 -40.89 93.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 1.0800000000000001 109.552 -179.586 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.83 -35.94 75.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.953 . . . . 1.9299999999999999 109.435 179.879 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.8 tt -64.51 -46.01 84.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.3 -0.875 . . . . 1.1399999999999999 109.281 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.853 -0.795 . . . . 2.1899999999999999 108.853 179.656 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.58 -32.66 67.38 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.558 -0.714 . . . . 1.4299999999999999 109.47 179.629 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.98 85.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.892 . . . . 1.3100000000000001 109.326 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.883 . . . . 1.3999999999999999 109.488 179.861 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.832 -0.803 . . . . 2.1099999999999999 108.832 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -92.02 148.17 22.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.073 -1.017 . . . . 1.01 109.895 -179.406 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 66.1 m-85 -138.33 -168.13 2.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.486 -0.759 . . . . 0.57999999999999996 109.29 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 37.2 p -153.51 157.8 40.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.1599999999999999 109.262 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.83 131.35 14.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.275 -0.891 . . . . 1.1699999999999999 109.536 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.93 34.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 1.8100000000000001 109.175 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.74 118.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.958 . . . . 1.1299999999999999 109.687 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.71 151.27 40.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 2.8199999999999998 109.512 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.13 135.16 4.35 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.684 -1.367 . . . . 0.45000000000000001 109.684 179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.47 -51.21 9.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -1.22 . . . . 3.0800000000000001 109.498 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.18 -45.72 87.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.851 . . . . 2.54 109.44 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.481 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.4 ttt180 -60.33 -41.1 92.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.347 -0.845 . . . . 4.1100000000000003 109.491 -179.772 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 329' ' ' THR . 83.0 t80 -55.1 -55.08 35.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.376 -0.827 . . . . 0.56999999999999995 109.628 -179.869 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.9 -37.21 42.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 1.6599999999999999 109.969 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.83 -50.53 70.61 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.296 -0.878 . . . . 1.29 110.304 -179.331 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -59.95 -55.62 31.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.922 . . . . 0.40000000000000002 109.331 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.73 -36.12 34.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.441 -0.787 . . . . 3.8500000000000001 109.615 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -60.8 -45.08 95.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 1.78 109.781 -179.782 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.24 -43.94 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.882 . . . . 1.1699999999999999 109.431 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.26 -45.87 87.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 1.2 109.897 -179.895 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.75 92.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 2.1200000000000001 110.021 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.81 54.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 110.024 -179.585 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 25.9 mt -60.76 -40.87 94.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 109.537 -179.555 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.74 -35.97 75.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -0.883 . . . . 2.0899999999999999 109.457 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.8 tt -64.62 -45.8 85.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -0.838 . . . . 1.3799999999999999 109.34 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.44 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.6 ttmt -61.24 -37.58 83.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.393 -0.817 . . . . 2.6800000000000002 108.904 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.54 -32.77 67.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.56 -0.712 . . . . 1.3400000000000001 109.464 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.07 85.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 1.3 109.37 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 1.8 109.498 179.896 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.78 -0.822 . . . . 1.6699999999999999 108.78 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -92.22 148.03 22.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.111 -0.993 . . . . 1.01 109.816 -179.397 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 65.6 m-85 -138.21 -168.14 2.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.822 . . . . 0.63 109.19 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.3 p -153.47 157.67 40.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.223 -0.923 . . . . 1.1299999999999999 109.328 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.72 131.37 14.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.539 -179.797 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.98 34.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.358 -0.838 . . . . 1.3700000000000001 109.183 179.809 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.84 118.3 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.1 -1.0 . . . . 1.1499999999999999 109.55 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.71 151.22 40.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.36 -0.837 . . . . 2.77 109.497 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.18 135.17 4.38 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.68 -1.368 . . . . 0.42999999999999999 109.68 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.43 -51.24 9.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -1.134 . . . . 3.1200000000000001 109.522 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.11 -45.7 86.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.389 -0.82 . . . . 2.2200000000000002 109.456 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 1.4 ttt180 -60.41 -41.09 93.19 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.293 -0.879 . . . . 3.5 109.472 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.436 ' CE1' ' O ' ' B' ' 329' ' ' THR . 83.3 t80 -55.0 -55.14 34.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.36 -0.837 . . . . 0.5 109.636 -179.846 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.95 -37.09 42.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.6899999999999999 109.97 -179.765 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.94 -50.51 70.52 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 110.213 -179.287 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.04 -55.55 32.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.191 -0.943 . . . . 0.32000000000000001 109.34 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.64 -36.14 33.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 2.96 109.628 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -60.93 -44.94 96.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.75 109.833 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.31 -43.85 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 1.0800000000000001 109.408 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -58.28 -46.03 86.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.79 -179.833 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.67 91.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 1.73 110.023 -179.648 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.23 -53.83 53.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.997 -179.49 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.437 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 25.3 mt -60.61 -40.8 93.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.253 -0.904 . . . . 1.1100000000000001 109.705 -179.636 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.87 -35.88 75.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 1.9099999999999999 109.468 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.8 tt -64.66 -45.88 84.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 1.1699999999999999 109.238 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.6 ttmt -61.23 -37.62 83.7 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.445 -0.785 . . . . 2.1499999999999999 108.887 179.634 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.65 -32.64 67.48 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.551 -0.718 . . . . 1.4399999999999999 109.472 179.673 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.1 85.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 1.3 109.365 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 1.3999999999999999 109.519 179.853 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.357 -0.609 . . . . 1.7 109.357 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -92.98 158.35 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 1.04 109.451 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.2 m-85 -139.38 -169.79 2.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.187 -0.946 . . . . 0.65000000000000002 109.358 -179.898 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.1 p -153.56 160.06 42.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.047 -1.033 . . . . 1.1399999999999999 109.565 -179.723 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.89 129.62 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 1.0900000000000001 109.503 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -86.92 128.15 35.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 1.3700000000000001 109.646 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.1 mt -123.87 119.65 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.668 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -73.49 149.79 42.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 2.79 109.589 179.873 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 89.37 130.46 3.95 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.769 -1.333 . . . . 0.45000000000000001 109.769 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 ttp180 -76.93 -51.76 10.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -1.063 . . . . 3.1600000000000001 109.504 179.902 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.05 -46.86 87.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 2.2200000000000002 109.49 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.1 ttt180 -61.6 -42.8 99.39 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.255 -0.903 . . . . 3.54 109.452 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.3 t80 -55.46 -56.89 14.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.52 -0.737 . . . . 0.5 109.936 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.64 -32.98 20.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 109.909 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.7 -49.8 73.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.972 . . . . 1.1499999999999999 109.925 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -61.34 -47.69 84.74 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.16 -0.963 . . . . 0.34000000000000002 109.116 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.22 -41.25 60.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.411 -0.806 . . . . 2.9399999999999999 109.552 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.08 -42.96 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.74 109.976 -179.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.33 -45.06 94.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 109.531 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -57.9 -46.0 85.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 1.22 109.767 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.8 -37.56 84.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 1.72 109.731 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.32 94.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 109.908 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 12.7 mt -61.61 -46.15 91.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.783 -179.621 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -39.17 83.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.9099999999999999 109.958 -179.885 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.498 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.8 tp -63.57 -43.46 96.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.1499999999999999 109.762 -179.682 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 2.1400000000000001 108.834 179.819 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.6 -34.03 64.48 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.425 -0.797 . . . . 1.4299999999999999 109.507 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.4 80.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 1.3 109.491 179.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.443 ' NE2' HD12 ' B' ' 350' ' ' LEU . 8.0 mt-30 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 1.4199999999999999 109.823 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.414 -0.587 . . . . 1.6100000000000001 109.414 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 17.2 m-85 -93.1 158.33 15.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.338 -0.851 . . . . 0.96999999999999997 109.403 -179.957 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.2 m-85 -139.31 -169.67 2.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.59999999999999998 109.51 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.3 p -153.58 160.1 42.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.004 . . . . 1.1000000000000001 109.646 -179.732 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.7 tp -148.94 129.71 14.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.453 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -87.0 128.28 35.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 1.3600000000000001 109.545 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.0 mt -124.02 119.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 1.1699999999999999 109.561 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -73.63 149.89 41.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.79 109.47 179.92 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 89.36 130.5 3.96 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.706 -1.358 . . . . 0.47999999999999998 109.706 179.719 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.2 ttp180 -76.94 -51.81 10.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -1.104 . . . . 3.2200000000000002 109.431 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.84 87.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 2.21 109.588 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.1 ttt180 -61.52 -42.85 99.42 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 3.5499999999999998 109.448 -179.845 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' D' ' 329' ' ' THR . 45.9 t80 -55.56 -56.86 15.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 0.52000000000000002 109.838 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.57 -33.02 20.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 109.893 -179.669 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.109 -0.994 . . . . 1.1499999999999999 109.847 -179.609 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' D' ' 345' ' ' ASN . 25.6 m-85 -61.31 -47.69 84.79 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.33000000000000002 109.12 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.21 -41.31 60.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.384 -0.822 . . . . 3.02 109.526 179.829 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.17 -42.83 95.82 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 1.75 109.923 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.29 -45.13 94.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 109.576 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.88 -45.96 85.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.883 . . . . 1.21 109.821 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.8 -37.58 84.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.935 . . . . 1.6899999999999999 109.742 -179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.23 94.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.948 -179.84 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 12.7 mt -61.67 -46.12 91.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 1.0800000000000001 109.807 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.57 -39.24 83.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 1.9299999999999999 109.948 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 16.3 tp -63.45 -43.55 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.1399999999999999 109.76 -179.741 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.57 -39.03 89.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 2.1899999999999999 108.853 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.56 -34.16 64.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 1.4299999999999999 109.471 179.747 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.44 80.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 1.3100000000000001 109.433 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.442 ' NE2' HD12 ' A' ' 350' ' ' LEU . 7.9 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.3999999999999999 109.749 -179.816 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.414 -0.587 . . . . 2.1099999999999999 109.414 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -93.02 158.4 15.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -0.883 . . . . 1.01 109.486 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.2 m-85 -139.39 -169.73 2.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.203 -0.936 . . . . 0.57999999999999996 109.45 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.2 p -153.63 160.03 42.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.194 -0.941 . . . . 1.1599999999999999 109.661 -179.756 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.84 129.81 14.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 1.1699999999999999 109.46 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.12 128.1 35.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.8100000000000001 109.531 -179.919 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -123.86 119.72 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.148 -0.97 . . . . 1.1299999999999999 109.618 179.8 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.511 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -73.57 149.82 41.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 2.8199999999999998 109.458 179.941 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 89.32 130.47 3.93 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.755 -1.338 . . . . 0.45000000000000001 109.755 179.779 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.2 ttp180 -76.8 -51.82 10.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -1.154 . . . . 3.0800000000000001 109.483 179.85 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.04 -46.81 87.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 2.54 109.579 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttt180 -61.64 -42.82 99.43 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.327 -0.858 . . . . 4.1100000000000003 109.469 -179.837 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 329' ' ' THR . 45.9 t80 -55.5 -56.9 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.372 -0.83 . . . . 0.56999999999999995 109.83 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.54 -33.09 20.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.013 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.65 -49.78 73.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.093 -1.004 . . . . 1.29 109.919 -179.654 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.45 -47.67 84.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.40000000000000002 109.094 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.11 -41.35 59.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.354 -0.842 . . . . 3.8500000000000001 109.592 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.11 -42.92 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 1.78 109.941 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.34 -45.03 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 1.1699999999999999 109.578 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -57.92 -46.01 85.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.848 . . . . 1.2 109.727 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.432 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 5.1 mt-10 -61.92 -37.32 84.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.1200000000000001 109.759 -179.644 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.27 94.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 109.969 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 12.6 mt -61.75 -46.13 90.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.253 -0.905 . . . . 1.1399999999999999 109.788 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.39 -39.27 82.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 2.0899999999999999 109.92 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.3 tp -63.54 -43.53 96.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 1.3799999999999999 109.691 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.55 -39.02 89.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.27 -0.894 . . . . 2.6800000000000002 108.898 179.831 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.65 -34.04 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 1.3400000000000001 109.457 179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.37 80.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 1.3 109.424 -179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.44 ' NE2' HD12 ' D' ' 350' ' ' LEU . 8.0 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.326 -0.859 . . . . 1.8 109.837 -179.895 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.495 -0.558 . . . . 1.6699999999999999 109.495 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 17.1 m-85 -93.01 158.48 15.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 1.01 109.444 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -139.44 -169.82 2.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -0.887 . . . . 0.63 109.408 -179.885 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.1 p -153.54 160.13 42.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 1.1299999999999999 109.716 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -148.92 129.67 14.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.421 -179.809 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.7 tp60 -86.97 128.17 35.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 1.3700000000000001 109.55 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -123.96 119.61 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 1.1499999999999999 109.584 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.512 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -73.51 149.84 41.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.933 . . . . 2.77 109.517 179.832 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 89.39 130.22 3.88 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.824 -1.31 . . . . 0.42999999999999999 109.824 179.751 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.2 ttp180 -76.7 -51.78 10.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -1.111 . . . . 3.1200000000000001 109.518 179.917 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.71 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.571 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.1 ttt180 -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.339 -0.851 . . . . 3.5 109.433 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.0 t80 -55.54 -56.9 14.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.5 109.832 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.49 -33.2 20.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 1.6899999999999999 109.882 -179.64 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.58 -49.96 73.2 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.112 -0.993 . . . . 1.1399999999999999 109.906 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.29 -47.62 85.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.32000000000000001 109.192 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.16 -41.36 60.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 2.96 109.579 179.748 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.14 -42.78 95.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.75 110.011 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.36 -45.16 94.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 1.0800000000000001 109.547 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 49.1 t30 -57.84 -45.97 85.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.37 -0.831 . . . . 1.22 109.765 -179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.8 -37.5 84.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.216 -0.927 . . . . 1.73 109.754 -179.748 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.34 94.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 109.943 -179.832 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 12.8 mt -61.63 -46.1 91.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.327 -0.858 . . . . 1.1100000000000001 109.863 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.21 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.895 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.522 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 16.0 tp -63.63 -43.51 96.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 1.1699999999999999 109.718 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 12.3 ttmm -61.5 -39.02 89.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 2.1499999999999999 108.897 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.53 -34.2 64.46 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 109.47 179.717 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.24 80.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.3 109.528 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' C' ' 350' ' ' LEU . 7.9 mt-30 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.858 . . . . 1.3999999999999999 109.828 -179.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.563 -0.532 . . . . 1.7 109.563 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -93.81 154.26 17.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.362 -0.837 . . . . 1.04 109.35 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 67.6 m-85 -138.72 -168.33 2.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 0.65000000000000002 109.496 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.1 p -152.93 161.1 42.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.234 -0.916 . . . . 1.1399999999999999 109.597 -179.798 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.7 tp -148.93 132.68 16.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 1.0900000000000001 109.474 -179.732 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 1.0 OUTLIER -86.3 126.23 34.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.3700000000000001 109.617 -179.856 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.9 mt -124.0 115.28 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.407 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.62 147.0 44.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 2.79 109.547 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.44 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.54 134.46 8.51 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.881 -1.288 . . . . 0.45000000000000001 109.881 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.527 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.6 -58.34 3.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 3.1600000000000001 109.371 179.844 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.63 -45.34 89.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.424 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.507 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 0.2 OUTLIER -60.44 -41.62 94.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.278 -0.889 . . . . 3.54 109.472 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.9 -53.98 50.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.893 . . . . 0.5 109.48 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.83 -31.18 16.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.031 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 32.6 ttp -64.69 -48.95 72.81 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.124 -0.985 . . . . 1.1499999999999999 109.671 -179.761 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.58 -52.12 66.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.34000000000000002 109.253 179.885 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' CG ' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.55 -39.21 48.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.351 -0.843 . . . . 2.9399999999999999 109.735 179.916 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.18 -43.87 98.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 1.74 110.005 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.96 -45.78 92.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 1.0700000000000001 109.627 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.1 -44.19 87.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.336 -0.852 . . . . 1.22 109.849 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.99 -41.38 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.72 109.776 -179.722 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.54 87.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 1.0700000000000001 109.559 -179.82 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.451 -0.781 . . . . 1.0800000000000001 109.553 -179.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.46 -38.01 82.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 1.9099999999999999 109.801 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.22 -48.61 77.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 1.1499999999999999 109.879 -179.515 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.72 83.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 2.1400000000000001 109.112 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -33.72 68.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.582 -0.699 . . . . 1.4299999999999999 109.717 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.69 13.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 1.3 109.651 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 1.4199999999999999 109.649 179.942 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.274 0.559 . . . . 1.6100000000000001 109.593 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -93.76 154.28 17.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.96999999999999997 109.385 179.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 67.7 m-85 -138.71 -168.24 2.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.59999999999999998 109.589 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 15.7 p -153.04 161.08 42.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 1.1000000000000001 109.563 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' D' ' 329' ' ' THR . 15.8 tp -148.92 132.95 17.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 1.1000000000000001 109.411 -179.754 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.45 126.25 34.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 109.541 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.3 mt -123.97 115.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -0.938 . . . . 1.1699999999999999 109.451 179.639 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.61 146.92 44.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.79 109.676 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.43 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.54 134.57 8.55 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.947 -1.261 . . . . 0.47999999999999998 109.947 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -79.62 -58.39 3.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -1.073 . . . . 3.2200000000000002 109.354 179.857 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 15.7 pt-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 2.21 109.437 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.52 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 0.2 OUTLIER -60.6 -41.47 94.81 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.343 -0.848 . . . . 3.5499999999999998 109.476 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.2 t80 -56.09 -53.89 51.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 0.52000000000000002 109.43 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.9 -31.05 16.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.495 -0.753 . . . . 1.6799999999999999 110.111 -179.793 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 32.7 ttp -64.83 -48.88 72.74 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.075 -1.016 . . . . 1.1499999999999999 109.601 -179.738 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -60.59 -51.97 67.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.33000000000000002 109.304 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.468 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.64 -39.25 50.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.362 -0.836 . . . . 3.02 109.615 179.94 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.28 -43.74 98.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.254 -0.904 . . . . 1.75 109.956 -179.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.01 -45.73 92.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.612 -179.667 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.11 -44.11 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.21 109.89 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.05 -41.44 98.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 1.6899999999999999 109.721 -179.704 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.39 87.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.86 . . . . 1.0600000000000001 109.59 -179.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.18 -40.55 96.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.0800000000000001 109.581 -179.829 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.61 -37.92 83.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.369 -0.832 . . . . 1.9299999999999999 109.725 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.14 -48.76 77.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.507 -0.746 . . . . 1.1399999999999999 109.841 -179.585 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.02 -37.77 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 2.1899999999999999 109.141 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.46 -33.69 68.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.489 -0.757 . . . . 1.4299999999999999 109.685 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -55.69 13.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.691 -179.743 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.3999999999999999 109.621 -179.984 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.568 -0.53 . . . . 2.1099999999999999 109.568 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -93.8 154.29 17.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 1.01 109.312 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.527 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 67.8 m-85 -138.71 -168.36 2.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.57999999999999996 109.584 -179.835 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.473 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.0 p -152.96 160.98 43.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 1.1599999999999999 109.619 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.8 tp -148.84 132.79 17.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.1699999999999999 109.498 -179.739 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.34 126.24 34.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 1.8100000000000001 109.588 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -123.98 115.32 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.14 -0.975 . . . . 1.1299999999999999 109.427 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.66 146.86 44.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.283 -0.886 . . . . 2.8199999999999998 109.674 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.62 134.43 8.5 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.95 -1.26 . . . . 0.45000000000000001 109.95 179.691 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -79.47 -58.41 3.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.315 -1.109 . . . . 3.0800000000000001 109.444 179.84 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -58.62 -45.27 89.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 2.54 109.452 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.514 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 0.2 OUTLIER -60.66 -41.56 95.24 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.291 -0.88 . . . . 4.1100000000000003 109.367 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.1 t80 -56.05 -53.86 51.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 0.56999999999999995 109.496 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -50.87 -31.14 16.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 110.088 -179.833 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 32.7 ttp -64.79 -48.85 72.97 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.078 -1.014 . . . . 1.29 109.647 -179.77 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.57 -52.15 66.41 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.167 -0.958 . . . . 0.40000000000000002 109.3 179.861 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.467 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.63 -39.2 49.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 3.8500000000000001 109.696 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.22 -43.77 98.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 1.78 109.943 -179.756 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.99 -45.67 92.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 1.1699999999999999 109.727 -179.758 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.24 -44.11 88.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 1.2 109.834 -179.821 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.95 -41.48 98.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.31 -0.869 . . . . 2.1200000000000001 109.752 -179.745 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.48 86.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.574 -179.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.12 -40.61 96.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 1.1399999999999999 109.537 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.51 -38.09 83.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 2.0899999999999999 109.718 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.18 -48.58 77.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.3799999999999999 109.949 -179.574 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.75 83.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.193 -0.942 . . . . 2.6800000000000002 109.049 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -33.6 68.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.598 -0.689 . . . . 1.3400000000000001 109.7 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -55.63 13.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 1.3 109.596 -179.676 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 1.8 109.548 -179.893 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.241 0.543 . . . . 1.6699999999999999 109.548 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.83 154.2 17.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.01 109.377 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 67.7 m-85 -138.74 -168.3 2.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.63 109.533 -179.812 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.0 p -152.99 161.09 42.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -0.95 . . . . 1.1299999999999999 109.63 -179.743 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.0 tp -148.9 132.78 17.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 1.1000000000000001 109.549 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.35 126.17 34.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 1.3700000000000001 109.626 -179.839 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -123.91 115.24 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 1.1499999999999999 109.485 179.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.59 146.79 44.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 2.77 109.638 -179.96 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.68 134.44 8.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.864 -1.294 . . . . 0.42999999999999999 109.864 179.64 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.53 -58.42 3.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -1.163 . . . . 3.1200000000000001 109.395 179.828 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 15.7 pt-20 -58.63 -45.33 89.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.403 -0.811 . . . . 2.2200000000000002 109.407 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.507 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 0.2 OUTLIER -60.45 -41.64 94.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.332 -0.855 . . . . 3.5 109.468 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.5 t80 -55.88 -53.95 50.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.257 -0.902 . . . . 0.5 109.513 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.92 -31.07 16.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.6899999999999999 110.063 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 32.5 ttp -64.85 -48.83 72.91 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.087 -1.008 . . . . 1.1399999999999999 109.644 -179.742 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.55 -52.14 66.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.32000000000000001 109.26 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.45 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.69 -39.17 50.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.96 109.647 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.24 -43.81 98.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.917 . . . . 1.75 109.927 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -45.73 92.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.883 . . . . 1.0800000000000001 109.71 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.2 -44.13 87.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 1.22 109.826 -179.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.06 -41.4 98.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 1.73 109.748 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -46.23 87.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.347 -0.845 . . . . 1.0700000000000001 109.651 -179.807 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.27 -40.68 97.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.1100000000000001 109.412 -179.892 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.43 -38.21 83.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.455 -0.778 . . . . 1.9099999999999999 109.726 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.0 -48.67 77.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 1.1699999999999999 109.978 -179.609 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.11 -37.8 84.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 2.1499999999999999 109.124 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -33.65 68.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.643 -0.661 . . . . 1.4399999999999999 109.737 179.818 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.65 13.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 1.3 109.71 -179.739 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.294 -0.879 . . . . 1.3999999999999999 109.662 179.941 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.258 0.551 . . . . 1.7 109.703 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.57 157.8 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 1.04 109.383 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -140.17 -174.88 4.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.328 -0.858 . . . . 0.65000000000000002 109.48 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.0 p -153.12 159.68 42.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.981 . . . . 1.1399999999999999 109.688 -179.681 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.5 tp -148.23 130.26 15.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 1.0900000000000001 109.365 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.97 34.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 1.3700000000000001 109.676 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.98 118.85 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.935 . . . . 1.1499999999999999 109.412 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 0.1 OUTLIER -74.21 136.39 42.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 2.79 109.606 179.947 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.45 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 103.11 129.9 6.8 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.888 -1.285 . . . . 0.45000000000000001 109.888 179.637 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 55.7 ttt180 -74.83 -54.71 6.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.34 -1.094 . . . . 3.1600000000000001 109.421 179.859 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.07 -45.99 86.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 2.2200000000000002 109.541 179.954 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -60.6 -41.67 95.23 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.262 -0.899 . . . . 3.54 109.38 179.958 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' C' ' 329' ' ' THR . 61.6 t80 -56.05 -55.81 28.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.538 -0.726 . . . . 0.5 109.784 -179.884 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.87 -33.74 17.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 1.6599999999999999 110.024 -179.515 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.82 -49.18 75.94 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.188 -0.945 . . . . 1.1499999999999999 109.77 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.64 -50.78 71.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.366 -0.834 . . . . 0.34000000000000002 109.172 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.443 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.94 32.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.358 -0.839 . . . . 2.9399999999999999 109.603 179.754 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.21 -48.57 81.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.138 -0.976 . . . . 1.74 109.493 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.99 -35.16 77.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 109.038 179.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.4 -52.74 64.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.38 -0.825 . . . . 1.22 109.651 179.87 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.82 -33.24 74.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.436 -0.79 . . . . 1.72 109.884 -179.646 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.59 68.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 110.106 -179.638 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.455 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 70.6 mt -61.23 -43.69 98.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -0.913 . . . . 1.0800000000000001 109.814 -179.615 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -59.83 -38.57 82.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.717 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.3 tt -64.85 -41.77 95.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.192 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.3 OUTLIER -61.6 -40.53 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 2.1400000000000001 108.89 179.625 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.88 -35.08 63.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.492 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.84 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.301 -0.874 . . . . 1.3 109.289 179.815 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.437 -0.789 . . . . 1.4199999999999999 109.521 179.846 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.31 0.576 . . . . 1.6100000000000001 109.712 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.47 157.87 15.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.374 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -140.22 -174.94 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.59999999999999998 109.447 -179.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.509 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.9 p -153.12 159.63 42.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.119 -0.988 . . . . 1.1000000000000001 109.681 -179.737 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.5 tp -148.12 130.29 15.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 1.1000000000000001 109.433 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 37.9 tt0 -87.16 130.95 34.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 1.3600000000000001 109.667 -179.816 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.93 118.85 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 1.1699999999999999 109.403 179.733 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.18 136.41 42.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 2.79 109.68 179.907 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 103.09 129.89 6.8 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.47999999999999998 109.916 179.659 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 55.6 ttt180 -74.77 -54.7 6.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -1.113 . . . . 3.2200000000000002 109.465 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.16 -45.84 86.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 2.21 109.476 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -60.66 -41.86 95.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.287 -0.883 . . . . 3.5499999999999998 109.251 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.8 t80 -55.8 -55.92 26.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.603 -0.685 . . . . 0.52000000000000002 109.903 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.86 -33.72 17.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 1.6799999999999999 110.039 -179.535 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.81 -49.24 75.74 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 109.764 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.65 -50.77 71.18 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.173 -0.955 . . . . 0.33000000000000002 109.169 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.445 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.4 OUTLIER -50.65 -35.99 33.36 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.471 -0.768 . . . . 3.02 109.511 179.855 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 1.75 109.514 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.16 -34.93 77.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.045 179.742 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.35 -52.86 63.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.418 -0.802 . . . . 1.21 109.627 179.746 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 1.6899999999999999 109.905 -179.591 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.54 68.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 1.0600000000000001 109.972 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.486 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 70.2 mt -61.35 -43.55 98.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 1.0800000000000001 109.75 -179.507 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.92 -38.54 82.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 1.9299999999999999 109.801 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.3 tt -64.77 -41.81 95.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.315 -179.722 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -40.39 94.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.426 -0.796 . . . . 2.1899999999999999 108.946 179.566 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.83 -35.2 63.7 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.604 -0.685 . . . . 1.4299999999999999 109.55 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.85 88.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.227 -0.921 . . . . 1.3100000000000001 109.323 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.354 -0.841 . . . . 1.3999999999999999 109.55 179.803 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.186 0.517 . . . . 2.1099999999999999 109.674 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.85 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 1.01 109.36 179.808 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.3 m-85 -140.25 -174.95 4.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.57999999999999996 109.429 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.9 p -153.08 159.76 42.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.073 -1.017 . . . . 1.1599999999999999 109.736 -179.751 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.5 tp -148.22 130.27 15.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 1.1699999999999999 109.349 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 37.9 tt0 -87.05 131.05 34.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 1.8100000000000001 109.654 -179.874 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.6 mt -124.02 118.86 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 1.1299999999999999 109.416 179.654 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 0.1 OUTLIER -74.16 136.45 42.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 2.8199999999999998 109.574 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 103.14 129.87 6.79 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.929 -1.268 . . . . 0.45000000000000001 109.929 179.679 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.504 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 55.7 ttt180 -74.89 -54.72 6.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.225 -1.162 . . . . 3.0800000000000001 109.389 179.76 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.09 -45.89 86.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 2.54 109.484 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.7 OUTLIER -60.76 -41.7 96.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.31 -0.869 . . . . 4.1100000000000003 109.283 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 329' ' ' THR . 61.8 t80 -55.98 -55.94 26.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.548 -0.72 . . . . 0.56999999999999995 109.768 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.83 -33.74 17.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 1.6599999999999999 110.025 -179.545 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.86 -49.19 75.83 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.08 -1.013 . . . . 1.29 109.768 -179.711 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.59 -50.76 71.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.255 -0.903 . . . . 0.40000000000000002 109.235 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.44 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.95 32.82 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 3.8500000000000001 109.614 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.14 -48.66 80.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.78 109.436 -179.914 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.07 -35.05 77.5 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.243 -0.911 . . . . 1.1699999999999999 109.044 179.739 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.31 -52.87 63.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.493 -0.754 . . . . 1.2 109.649 179.757 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.18 74.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 2.1200000000000001 109.962 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.42 -51.59 68.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 110.005 -179.655 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 70.0 mt -61.33 -43.46 98.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.887 . . . . 1.1399999999999999 109.803 -179.518 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.92 -38.62 82.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.948 . . . . 2.0899999999999999 109.774 -179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.3 tt -64.82 -41.71 95.54 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.273 -0.892 . . . . 1.3799999999999999 109.353 -179.711 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -40.4 94.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 2.6800000000000002 108.923 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.83 -35.23 63.72 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.607 -0.683 . . . . 1.3400000000000001 109.421 179.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.8 87.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.3 109.25 179.9 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.387 -0.821 . . . . 1.8 109.56 179.84 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.303 0.573 . . . . 1.6699999999999999 109.638 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.86 15.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.093 -1.004 . . . . 1.01 109.34 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.5 m-85 -140.31 -174.91 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.197 -0.94 . . . . 0.63 109.432 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.9 p -153.03 159.73 42.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.103 -0.998 . . . . 1.1299999999999999 109.621 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.22 130.21 15.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 1.1000000000000001 109.463 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -87.1 130.89 34.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.911 . . . . 1.3700000000000001 109.658 -179.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.91 118.82 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 1.1499999999999999 109.451 179.694 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 0.1 OUTLIER -74.06 136.32 43.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.081 -1.012 . . . . 2.77 109.61 179.979 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 103.17 130.01 6.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.839 -1.304 . . . . 0.42999999999999999 109.839 179.611 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 55.7 ttt180 -75.0 -54.52 7.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -1.126 . . . . 3.1200000000000001 109.525 179.778 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.27 -45.84 87.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 2.2200000000000002 109.491 179.906 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.7 OUTLIER -60.64 -41.81 95.67 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.236 -0.915 . . . . 3.5 109.255 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' B' ' 329' ' ' THR . 61.6 t80 -55.94 -55.93 26.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.5 109.811 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.76 -33.8 17.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.6899999999999999 110.041 -179.567 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.75 -49.16 76.1 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.136 -0.978 . . . . 1.1399999999999999 109.818 -179.648 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.74 -50.68 71.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.32000000000000001 109.145 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.463 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.69 -35.91 33.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.44 -0.787 . . . . 2.96 109.519 179.89 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.19 -48.58 81.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.165 -0.959 . . . . 1.75 109.454 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.01 -35.2 77.83 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.004 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.45 -52.77 64.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.423 -0.798 . . . . 1.22 109.621 179.858 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.84 -33.06 74.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.358 -0.839 . . . . 1.73 109.947 -179.662 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.56 68.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 1.0700000000000001 109.981 -179.654 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 70.6 mt -61.31 -43.53 98.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.31 -0.869 . . . . 1.1100000000000001 109.837 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -59.9 -38.56 82.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.354 -0.842 . . . . 1.9099999999999999 109.794 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.3 tt -64.76 -41.78 95.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.1699999999999999 109.267 -179.689 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.435 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.3 OUTLIER -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 2.1499999999999999 108.996 179.562 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.85 -35.09 63.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.532 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.89 87.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.3 109.234 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 1.3999999999999999 109.48 179.832 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.507 -0.553 . . . . 1.7 109.507 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 25.1 m-85 -93.34 154.58 17.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 1.04 109.307 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 78.2 m-85 -139.34 -168.92 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.173 -0.954 . . . . 0.65000000000000002 109.734 -179.708 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.5 p -153.15 157.75 40.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.295 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' C' ' 329' ' ' THR . 23.7 tp -149.41 136.08 19.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 1.0900000000000001 109.52 -179.729 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.84 130.79 34.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 1.3700000000000001 109.365 -179.996 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 31.4 mt -123.86 112.49 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 1.1499999999999999 109.557 179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.3 41.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 2.79 109.471 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 138.28 8.01 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.755 -1.338 . . . . 0.45000000000000001 109.755 179.838 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 31.5 ttm180 -80.7 -58.48 3.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.351 -1.088 . . . . 3.1600000000000001 109.47 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.72 -43.68 85.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.2200000000000002 109.452 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.42 -43.5 96.68 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 3.54 109.302 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -55.35 -56.4 20.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.5 109.546 179.897 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.44 -34.98 37.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.6599999999999999 110.001 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.93 -48.65 77.99 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.072 -1.018 . . . . 1.1499999999999999 109.95 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.31 -46.47 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.185 -0.947 . . . . 0.34000000000000002 109.152 -179.925 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -41.51 63.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 2.9399999999999999 109.736 179.805 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.38 81.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.249 -0.907 . . . . 1.74 110.051 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.61 -34.12 75.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.986 . . . . 1.0700000000000001 108.925 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.77 -57.74 11.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.398 -0.814 . . . . 1.22 109.432 179.715 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 1.72 109.891 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.95 63.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.811 -179.667 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.44 -38.52 87.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 1.0800000000000001 109.437 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.21 -38.06 82.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 1.9099999999999999 109.667 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 9.8 tp -63.69 -46.52 85.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.609 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.416 ' HE3' ' HG3' ' B' ' 346' ' ' GLU . 12.1 ttmm -61.3 -36.16 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 2.1400000000000001 109.039 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -56.82 -35.99 69.44 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 1.4299999999999999 109.757 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.78 -49.89 64.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.3 109.591 -179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.4199999999999999 109.728 179.992 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.265 0.555 . . . . 1.6100000000000001 109.514 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 25.7 m-85 -93.4 154.75 17.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.96999999999999997 109.315 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.3 m-85 -139.45 -169.0 2.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.256 -0.902 . . . . 0.59999999999999998 109.717 -179.664 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.408 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.5 p -153.18 157.66 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 1.1000000000000001 109.365 -179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.9 tp -149.24 136.12 19.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.1000000000000001 109.573 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.89 130.66 34.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 109.455 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 31.2 mt -123.73 112.49 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 1.1699999999999999 109.578 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.3 151.31 41.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 2.79 109.433 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.1 7.94 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.756 -1.338 . . . . 0.47999999999999998 109.756 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.5 ttm180 -80.46 -58.44 3.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -1.088 . . . . 3.2200000000000002 109.642 179.919 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.82 -43.57 85.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 2.21 109.51 179.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.38 -43.58 96.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.237 -0.914 . . . . 3.5499999999999998 109.385 179.824 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' D' ' 329' ' ' THR . 40.8 t80 -55.3 -56.41 20.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.52000000000000002 109.579 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.37 -34.99 36.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 1.6799999999999999 110.006 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.97 -48.68 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.099 -1.001 . . . . 1.1499999999999999 109.943 -179.48 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.29 -46.38 90.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 109.21 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -41.4 63.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.429 -0.794 . . . . 3.02 109.792 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.54 -48.32 82.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 1.75 109.943 -179.532 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 46.3 mt -61.72 -34.02 75.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 1.0700000000000001 108.979 179.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.7 -57.71 11.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.434 -0.791 . . . . 1.21 109.494 179.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.416 ' HG3' ' HE3' ' A' ' 351' ' ' LYS . 12.7 pt-20 -62.7 -27.38 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 1.6899999999999999 109.848 -179.771 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.84 -53.12 61.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.169 -0.957 . . . . 1.0600000000000001 109.763 -179.652 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 62.4 mt -61.43 -38.5 87.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0800000000000001 109.384 -179.744 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.15 -38.01 81.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.9299999999999999 109.695 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.7 tp -63.75 -46.55 84.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.349 -0.844 . . . . 1.1399999999999999 109.527 -179.765 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.1 ttmm -61.3 -36.18 79.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.463 -0.773 . . . . 2.1899999999999999 109.084 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -56.7 -36.11 69.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.731 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -50.02 64.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 1.3100000000000001 109.579 -179.761 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 1.3999999999999999 109.73 179.927 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.366 0.603 . . . . 2.1099999999999999 109.443 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.2 m-85 -93.34 154.76 17.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 1.01 109.32 179.877 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.3 m-85 -139.5 -169.02 2.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.246 -0.909 . . . . 0.57999999999999996 109.812 -179.684 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.6 p -153.11 157.72 40.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 1.1599999999999999 109.316 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 329' ' ' THR . 23.7 tp -149.36 136.1 19.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.202 -0.936 . . . . 1.1699999999999999 109.565 -179.709 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -85.87 130.79 34.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 1.8100000000000001 109.41 179.994 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 31.5 mt -123.87 112.46 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.195 -0.941 . . . . 1.1299999999999999 109.441 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.27 41.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.413 -0.804 . . . . 2.8199999999999998 109.527 179.767 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 138.08 7.89 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.764 -1.334 . . . . 0.45000000000000001 109.764 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.433 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 31.5 ttm180 -80.47 -58.44 3.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 3.0800000000000001 109.545 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.71 -43.66 85.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.357 -0.839 . . . . 2.54 109.437 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -60.42 -43.53 96.65 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.242 -0.911 . . . . 4.1100000000000003 109.287 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -55.45 -56.25 22.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.476 -0.765 . . . . 0.56999999999999995 109.547 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -51.46 -35.0 37.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.964 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.86 -48.86 77.21 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.039 -1.038 . . . . 1.29 109.846 -179.436 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.18 -46.47 90.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.946 . . . . 0.40000000000000002 109.193 -179.918 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.46 63.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 3.8500000000000001 109.71 179.873 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.47 -48.35 81.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.207 -0.933 . . . . 1.78 110.037 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.005 . . . . 1.1699999999999999 109.055 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.63 -57.7 11.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.504 -0.747 . . . . 1.2 109.504 179.606 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.71 -27.37 69.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.537 -0.727 . . . . 2.1200000000000001 109.872 -179.711 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.04 62.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 109.78 -179.589 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.36 -38.58 87.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.419 -179.824 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.22 -37.92 81.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.667 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.74 -46.57 84.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.874 . . . . 1.3799999999999999 109.627 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -61.16 -36.21 79.2 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.359 -0.838 . . . . 2.6800000000000002 109.146 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -56.86 -36.03 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 1.3400000000000001 109.712 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -50.0 64.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.277 -0.889 . . . . 1.3 109.571 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 1.8 109.695 -179.975 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.516 -0.55 . . . . 1.6699999999999999 109.516 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.429 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 25.2 m-85 -93.37 154.67 17.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 1.01 109.35 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 78.1 m-85 -139.39 -169.03 2.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.63 109.718 -179.65 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.5 p -153.18 157.7 40.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 1.1299999999999999 109.216 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 24.0 tp -149.24 136.17 19.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.169 -0.957 . . . . 1.1000000000000001 109.576 -179.74 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.97 130.8 34.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 1.3700000000000001 109.358 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 31.8 mt -123.84 112.54 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 1.1499999999999999 109.511 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.19 151.27 41.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.259 -0.901 . . . . 2.77 109.474 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.2 7.99 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.74 -1.344 . . . . 0.42999999999999999 109.74 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 31.5 ttm180 -80.61 -58.55 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 3.1200000000000001 109.518 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.68 -43.68 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 2.2200000000000002 109.504 179.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 4.3 ttm180 -60.32 -43.55 96.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.257 -0.902 . . . . 3.5 109.333 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.408 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.4 t80 -55.41 -56.34 21.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.439 -0.788 . . . . 0.5 109.482 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -51.52 -34.84 37.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 1.6899999999999999 109.994 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -62.91 -48.88 77.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.063 -1.023 . . . . 1.1399999999999999 109.893 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.19 -46.4 90.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.936 . . . . 0.32000000000000001 109.205 -179.907 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -41.49 63.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 2.96 109.775 179.844 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.35 81.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 1.75 110.035 -179.57 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.69 -34.01 75.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.91 . . . . 1.0800000000000001 109.013 179.845 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.69 -57.74 11.63 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.4 -0.813 . . . . 1.22 109.514 179.601 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.67 -27.3 69.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 1.73 109.92 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.01 62.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.717 -179.605 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.39 -38.61 87.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.272 -0.893 . . . . 1.1100000000000001 109.384 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -37.95 81.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.749 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.83 -46.48 84.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 109.566 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.31 -36.14 79.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 2.1499999999999999 109.105 179.808 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.76 -36.09 69.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.577 -0.702 . . . . 1.4399999999999999 109.801 179.796 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -49.98 64.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.214 -0.929 . . . . 1.3 109.668 -179.882 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.362 -0.836 . . . . 1.3999999999999999 109.615 -179.991 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.365 0.602 . . . . 1.7 109.769 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.8 153.2 18.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -0.933 . . . . 1.04 109.386 179.6 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.3 m-85 -140.26 -175.19 4.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.65000000000000002 109.275 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 8.5 p -152.65 162.61 41.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.086 -1.009 . . . . 1.1399999999999999 109.557 -179.684 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 329' ' ' THR . 44.2 tp -149.42 133.78 17.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 1.0900000000000001 109.457 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.51 130.53 34.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.921 . . . . 1.3700000000000001 109.483 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.438 HG23 ' HA ' ' A' ' 338' ' ' PHE . 43.7 mt -123.86 111.98 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.1499999999999999 109.454 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.48 150.06 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 2.79 109.611 179.844 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.74 2.26 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.768 -1.333 . . . . 0.45000000000000001 109.768 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -70.9 -50.44 34.92 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -1.124 . . . . 3.1600000000000001 109.734 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.91 -47.98 81.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.649 -179.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.05 -39.3 85.48 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.242 -0.912 . . . . 3.54 109.629 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.1 t80 -55.36 -53.15 59.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.357 -0.839 . . . . 0.5 109.699 -179.814 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.91 -37.36 43.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -0.862 . . . . 1.6599999999999999 109.914 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.67 -47.46 83.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 110.116 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' A' ' 332' ' ' ILE . 20.8 m-85 -60.84 -51.25 70.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.34000000000000002 109.503 -179.898 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -50.93 -35.22 32.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.823 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.08 -52.5 64.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.003 . . . . 1.74 110.027 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.5 -34.62 74.34 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.105 -0.997 . . . . 1.0700000000000001 109.17 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.18 -52.42 65.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 1.22 109.472 179.483 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.24 -29.91 71.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.42 -0.8 . . . . 1.72 109.836 -179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -55.94 24.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.962 -179.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.01 -42.18 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 1.0800000000000001 109.614 -179.542 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.31 -36.86 76.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.691 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.4 tt -66.11 -36.99 84.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 1.1499999999999999 109.21 -179.873 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 1.1 tppp? -60.59 -46.66 89.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.699 -0.852 . . . . 2.1400000000000001 108.699 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -31.14 62.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.609 -0.682 . . . . 1.4299999999999999 109.357 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 1.3 109.521 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.372 179.972 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.233 0.54 . . . . 1.6100000000000001 109.764 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.69 153.18 18.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.34 -0.85 . . . . 0.96999999999999997 109.357 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 63.8 m-85 -140.26 -175.12 4.14 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.188 -0.945 . . . . 0.59999999999999998 109.211 179.707 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 8.6 p -152.69 162.69 40.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.091 -1.006 . . . . 1.1000000000000001 109.632 -179.777 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.46 133.82 17.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.384 -0.823 . . . . 1.1000000000000001 109.334 -179.889 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.61 130.5 34.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.3600000000000001 109.488 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' B' ' 338' ' ' PHE . 43.3 mt -123.8 111.93 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 109.564 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.51 150.11 41.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 2.79 109.505 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 123.83 2.28 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.795 -1.322 . . . . 0.47999999999999998 109.795 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -71.08 -50.47 33.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -1.08 . . . . 3.2200000000000002 109.66 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.78 -48.09 80.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.922 . . . . 2.21 109.631 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.19 -39.28 85.94 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.311 -0.868 . . . . 3.5499999999999998 109.528 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.0 t80 -55.26 -53.26 58.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.52000000000000002 109.728 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.76 -37.45 42.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 1.6799999999999999 109.921 -179.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.63 -47.42 83.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.12 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.6 m-85 -60.91 -51.25 70.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.33000000000000002 109.412 -179.828 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.96 -35.27 32.69 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.337 -0.852 . . . . 3.02 109.755 179.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.06 -52.61 64.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 1.75 109.996 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.44 -34.57 74.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 1.0700000000000001 109.143 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.33 -52.31 66.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.394 -0.816 . . . . 1.21 109.406 179.559 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.35 -29.77 71.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.38 -0.825 . . . . 1.6899999999999999 109.764 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.09 -55.86 24.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.17 -0.956 . . . . 1.0600000000000001 109.926 -179.708 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.05 -42.21 98.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 1.0800000000000001 109.645 -179.571 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.28 -36.93 76.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.9299999999999999 109.643 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' B' ' 350' ' ' LEU . 1.4 tt -66.03 -37.06 84.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.128 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.481 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 1.1 tppp? -60.58 -46.74 89.1 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.653 -0.869 . . . . 2.1899999999999999 108.653 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.9 -31.15 62.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.681 -0.637 . . . . 1.4299999999999999 109.328 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.68 80.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 1.3100000000000001 109.558 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 1.3999999999999999 109.415 179.827 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.234 0.54 . . . . 2.1099999999999999 109.79 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -97.71 153.23 18.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 1.01 109.347 179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.2 m-85 -140.35 -175.22 4.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.223 -0.923 . . . . 0.57999999999999996 109.298 179.745 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 8.5 p -152.7 162.7 40.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.1599999999999999 109.558 -179.691 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.51 133.76 17.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.305 -0.872 . . . . 1.1699999999999999 109.412 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.57 130.49 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 1.8100000000000001 109.509 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' C' ' 341' ' ' PHE . 43.9 mt -123.8 112.05 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 1.1299999999999999 109.529 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.54 150.11 41.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 2.8199999999999998 109.531 179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 123.95 2.3 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.772 -1.331 . . . . 0.45000000000000001 109.772 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -71.19 -50.47 32.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -1.123 . . . . 3.0800000000000001 109.575 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.93 -47.75 81.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 2.54 109.701 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.34 -39.23 86.37 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.348 -0.845 . . . . 4.1100000000000003 109.535 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.7 t80 -55.48 -53.05 61.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.374 -0.829 . . . . 0.56999999999999995 109.719 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.85 -37.5 43.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.877 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.65 -47.45 83.65 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.181 -0.949 . . . . 1.29 110.049 -179.339 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' C' ' 332' ' ' ILE . 20.8 m-85 -60.81 -51.32 69.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.168 -0.958 . . . . 0.40000000000000002 109.458 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.87 -35.32 32.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.895 . . . . 3.8500000000000001 109.755 179.93 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.97 -52.58 64.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.12 -0.988 . . . . 1.78 109.993 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.54 -34.55 74.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 1.1699999999999999 109.101 -179.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.26 -52.41 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.848 . . . . 1.2 109.454 179.568 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.18 -29.85 71.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 2.1200000000000001 109.848 -179.871 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.06 -55.86 24.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.946 -179.679 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.03 -42.15 97.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.356 -0.84 . . . . 1.1399999999999999 109.666 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.36 -36.91 76.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 2.0899999999999999 109.616 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' C' ' 350' ' ' LEU . 1.4 tt -66.04 -36.99 84.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.3799999999999999 109.16 -179.848 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.525 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 1.1 tppp? -60.64 -46.68 89.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.745 -0.835 . . . . 2.6800000000000002 108.745 179.551 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 -31.2 62.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.605 -0.684 . . . . 1.3400000000000001 109.398 179.415 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.85 81.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.374 -0.829 . . . . 1.3 109.583 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 1.8 109.398 179.897 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.342 0.592 . . . . 1.6699999999999999 109.751 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.71 153.25 18.37 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.945 . . . . 1.01 109.391 179.558 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 63.9 m-85 -140.44 -175.19 4.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.63 109.179 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.0 p -152.67 162.64 40.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.125 -0.984 . . . . 1.1299999999999999 109.678 -179.642 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.46 133.81 17.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 1.1000000000000001 109.349 -179.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.56 130.6 34.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 109.505 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' D' ' 338' ' ' PHE . 43.5 mt -123.94 112.01 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 109.435 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -73.5 149.94 41.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 2.77 109.545 179.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.14 123.77 2.31 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.674 -1.37 . . . . 0.42999999999999999 109.674 179.694 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -70.96 -50.49 33.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -1.115 . . . . 3.1200000000000001 109.635 179.969 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.94 -47.79 81.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.719 -179.74 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.25 -39.26 86.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.262 -0.899 . . . . 3.5 109.616 -179.863 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.5 t80 -55.39 -53.15 59.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.5 109.712 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -37.46 42.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.925 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -62.61 -47.37 84.06 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.3 -0.875 . . . . 1.1399999999999999 110.13 -179.358 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' D' ' 332' ' ' ILE . 20.4 m-85 -60.99 -51.16 70.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.135 -0.978 . . . . 0.32000000000000001 109.416 -179.766 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -51.06 -35.24 33.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.84 . . . . 2.96 109.73 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.94 -52.72 63.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 1.75 109.978 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.37 -34.67 74.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 109.172 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.26 -52.3 66.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 1.22 109.426 179.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.31 -29.89 71.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.73 109.802 -179.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -55.9 24.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.953 -179.672 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.11 -42.18 98.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.223 -0.923 . . . . 1.1100000000000001 109.523 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -59.38 -36.89 76.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.32 -0.862 . . . . 1.9099999999999999 109.632 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.4 tt -66.04 -36.97 84.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.231 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 1.1 tppp? -60.54 -46.77 88.96 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.694 -0.854 . . . . 2.1499999999999999 108.694 179.47 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.91 -31.25 62.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.604 -0.685 . . . . 1.4399999999999999 109.319 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.72 80.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.87 . . . . 1.3 109.524 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 1.3999999999999999 109.407 179.953 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.239 0.542 . . . . 1.7 109.542 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -96.05 160.78 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.334 -0.854 . . . . 1.04 109.656 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 97.5 m-85 -137.8 -169.53 2.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.105 -0.997 . . . . 0.65000000000000002 109.424 179.97 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 22.0 p -154.17 154.48 33.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.96 . . . . 1.1399999999999999 109.498 -179.829 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' C' ' 329' ' ' THR . 21.1 tp -146.8 133.95 20.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 1.0900000000000001 109.588 -179.831 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -86.67 129.5 34.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.805 . . . . 1.3700000000000001 109.747 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 341' ' ' PHE . 31.1 mt -124.12 109.63 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 109.388 179.68 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.525 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.9 ttt-85 -73.24 153.82 40.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 2.79 109.689 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.64 133.6 6.41 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.703 -1.359 . . . . 0.45000000000000001 109.703 179.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.479 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttm180 -68.84 -57.62 5.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.43 -1.041 . . . . 3.1600000000000001 109.496 179.846 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.43 -39.88 81.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 2.2200000000000002 109.613 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.456 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.12 -48.34 80.5 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.209 -0.932 . . . . 3.54 109.949 -179.761 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' C' ' 329' ' ' THR . 19.1 t80 -55.1 -60.19 3.72 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.41 -0.806 . . . . 0.5 109.807 -179.853 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.46 -34.12 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 110.065 -179.69 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.24 -51.49 63.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.117 -0.99 . . . . 1.1499999999999999 110.248 -179.314 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CB ' HD12 ' A' ' 332' ' ' ILE . 34.9 m-85 -61.56 -54.67 39.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.141 -0.975 . . . . 0.34000000000000002 109.346 -179.733 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.96 -34.08 19.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.45 -0.781 . . . . 2.9399999999999999 109.53 179.826 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.81 -51.45 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 1.74 109.747 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 64.5 mt -60.99 -34.46 74.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.148 -0.97 . . . . 1.0700000000000001 109.141 179.766 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.19 -53.84 53.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.456 -0.778 . . . . 1.22 109.61 179.72 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.61 -31.1 72.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.414 -0.804 . . . . 1.72 109.995 -179.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.09 -55.77 28.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.24 -0.912 . . . . 1.0700000000000001 109.942 -179.715 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.06 -43.55 98.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.887 . . . . 1.0800000000000001 109.627 -179.689 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.46 -33.33 71.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.233 -0.917 . . . . 1.9099999999999999 109.478 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 10.4 tp -65.15 -44.53 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.256 -0.902 . . . . 1.1499999999999999 109.206 179.914 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.55 -48.84 79.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.479 -0.763 . . . . 2.1400000000000001 109.147 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.79 -33.29 66.52 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.566 -0.709 . . . . 1.4299999999999999 109.734 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.72 82.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 1.3 109.702 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.24 -0.912 . . . . 1.4199999999999999 109.59 -179.852 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.48 -0.563 . . . . 1.6100000000000001 109.48 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -96.11 160.72 14.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.96999999999999997 109.558 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 97.5 m-85 -137.76 -169.41 2.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.59999999999999998 109.44 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 22.2 p -154.18 154.63 33.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.17 -0.956 . . . . 1.1000000000000001 109.517 -179.867 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 20.6 tp -146.96 133.9 20.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 1.1000000000000001 109.627 -179.814 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.461 -0.774 . . . . 1.3600000000000001 109.712 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' B' ' 341' ' ' PHE . 31.1 mt -123.98 109.69 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 1.1699999999999999 109.386 179.701 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.517 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 1.9 ttt-85 -73.38 153.64 40.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 2.79 109.696 -179.888 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.67 133.47 6.37 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.843 -1.303 . . . . 0.47999999999999998 109.843 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.73 -57.62 5.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -1.092 . . . . 3.2200000000000002 109.518 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.27 -40.07 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -0.88 . . . . 2.21 109.564 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.461 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.01 -48.47 79.94 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.266 -0.896 . . . . 3.5499999999999998 109.913 -179.701 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 19.3 t80 -55.09 -60.09 3.85 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.37 -0.831 . . . . 0.52000000000000002 109.783 -179.753 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.45 -34.26 24.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.6799999999999999 110.009 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.21 -51.45 63.65 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.243 -0.91 . . . . 1.1499999999999999 110.301 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.456 ' CB ' HD12 ' B' ' 332' ' ' ILE . 34.7 m-85 -61.55 -54.76 38.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.136 -0.977 . . . . 0.33000000000000002 109.334 -179.744 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.76 -34.19 18.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 3.02 109.505 179.8 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -60.82 -51.42 69.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 1.75 109.782 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.96 -34.53 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 109.108 179.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.08 -53.92 52.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.391 -0.818 . . . . 1.21 109.591 179.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.58 -31.04 72.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.385 -0.822 . . . . 1.6899999999999999 110.033 -179.732 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -55.73 28.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 1.0600000000000001 109.882 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.98 -43.6 98.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 1.0800000000000001 109.64 -179.706 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.46 -33.29 71.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 1.9299999999999999 109.465 179.908 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.08 -44.46 88.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 109.338 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 17.7 ttmm -61.75 -48.8 79.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 2.1899999999999999 109.073 179.749 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -56.77 -33.28 66.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.741 . . . . 1.4299999999999999 109.777 179.745 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.62 82.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 1.3100000000000001 109.725 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.3999999999999999 109.691 -179.922 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.264 0.554 . . . . 2.1099999999999999 109.573 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.5 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 9.4 m-85 -95.99 160.99 14.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.207 -0.933 . . . . 1.01 109.506 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.4 m-85 -138.05 -169.65 2.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.57999999999999996 109.424 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 22.0 p -154.11 154.51 33.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 1.1599999999999999 109.551 -179.936 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 20.3 tp -146.72 133.84 20.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 109.612 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 28.5 tt0 -86.7 129.45 34.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 1.8100000000000001 109.685 -179.757 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.454 HD12 ' CB ' ' C' ' 341' ' ' PHE . 30.8 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.21 -0.931 . . . . 1.1299999999999999 109.347 179.661 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.509 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.0 ttt-85 -73.36 153.86 40.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.8199999999999998 109.647 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.54 133.35 6.27 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.758 -1.337 . . . . 0.45000000000000001 109.758 179.621 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.63 -57.67 5.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.242 -1.152 . . . . 3.0800000000000001 109.448 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.37 -39.85 80.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 2.54 109.62 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.465 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.1 -48.42 80.25 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.234 -0.917 . . . . 4.1100000000000003 109.803 -179.696 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 329' ' ' THR . 19.4 t80 -55.27 -59.97 4.04 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.387 -0.821 . . . . 0.56999999999999995 109.816 -179.691 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.49 -34.19 24.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.308 -0.87 . . . . 1.6599999999999999 110.039 -179.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -64.16 -51.58 63.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.093 -1.005 . . . . 1.29 110.256 -179.306 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.454 ' CB ' HD12 ' C' ' 332' ' ' ILE . 34.5 m-85 -61.56 -54.65 40.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.235 -0.916 . . . . 0.40000000000000002 109.354 -179.677 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.0 -34.0 19.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.375 -0.828 . . . . 3.8500000000000001 109.472 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.88 -51.38 69.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.16 -0.963 . . . . 1.78 109.711 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.11 -34.43 74.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 1.1699999999999999 109.037 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.09 -53.94 52.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.502 -0.748 . . . . 1.2 109.529 179.738 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.64 -31.16 72.25 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.347 -0.845 . . . . 2.1200000000000001 109.897 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.72 29.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.924 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.01 -43.66 98.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.42 -0.8 . . . . 1.1399999999999999 109.584 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.43 -33.3 71.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 2.0899999999999999 109.507 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.13 -44.4 88.79 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 1.3799999999999999 109.311 179.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -48.88 78.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.512 -0.743 . . . . 2.6800000000000002 109.03 179.767 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.64 -33.37 66.25 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.496 -0.752 . . . . 1.3400000000000001 109.682 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.67 82.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 1.3 109.747 -179.661 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.189 -0.944 . . . . 1.8 109.703 -179.915 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.251 0.548 . . . . 1.6699999999999999 109.552 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -95.95 160.73 14.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 1.01 109.59 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.75 -169.53 2.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.161 -0.962 . . . . 0.63 109.498 179.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 22.0 p -154.16 154.6 33.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 1.1299999999999999 109.509 -179.854 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.4 tp -146.92 133.94 20.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.22 -0.925 . . . . 1.1000000000000001 109.628 -179.836 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 28.5 tt0 -86.62 129.38 34.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.856 . . . . 1.3700000000000001 109.714 -179.743 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CB ' ' D' ' 341' ' ' PHE . 31.1 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 109.381 179.615 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 1.9 ttt-85 -73.42 153.71 40.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.273 -0.892 . . . . 2.77 109.709 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.63 133.23 6.26 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.828 -1.309 . . . . 0.42999999999999999 109.828 179.703 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -68.46 -57.69 5.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -1.103 . . . . 3.1200000000000001 109.571 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.25 -40.01 80.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.413 -0.804 . . . . 2.2200000000000002 109.621 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.447 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.287 -0.883 . . . . 3.5 109.9 -179.63 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 19.3 t80 -55.16 -60.02 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.488 -0.758 . . . . 0.5 109.878 -179.808 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.56 -34.22 24.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 1.6899999999999999 109.939 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.17 -51.42 63.88 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.107 -0.996 . . . . 1.1399999999999999 110.296 -179.328 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.448 ' CB ' HD12 ' D' ' 332' ' ' ILE . 34.5 m-85 -61.59 -54.72 39.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 0.32000000000000001 109.323 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -49.95 -34.0 19.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 2.96 109.573 179.854 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.85 -51.39 69.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.063 -1.023 . . . . 1.75 109.778 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.05 -34.38 74.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.156 179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.12 -53.9 53.11 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.354 -0.841 . . . . 1.22 109.648 179.642 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.68 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.826 . . . . 1.73 109.937 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.16 -55.86 27.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.854 -179.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.99 -43.48 98.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.376 -0.827 . . . . 1.1100000000000001 109.669 -179.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.44 -33.34 71.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.432 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.11 -44.49 88.58 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.273 179.875 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.739 . . . . 2.1499999999999999 109.113 179.755 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.62 -33.35 66.19 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.59 -0.694 . . . . 1.4399999999999999 109.719 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.61 82.61 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.3 109.681 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.3999999999999999 109.613 -179.946 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.264 -0.643 . . . . 1.7 109.264 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' HB3' ' CD ' ' C' ' 331' ' ' GLN . 42.3 m-85 -93.07 160.33 14.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 1.04 109.559 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 99.6 m-85 -137.1 -168.1 2.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 0.65000000000000002 109.389 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.6 p -155.35 151.84 28.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 1.1399999999999999 109.487 -179.873 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.24 131.42 17.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.226 -0.921 . . . . 1.0900000000000001 109.47 -179.626 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.9 tt0 -86.67 134.01 33.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.89 . . . . 1.3700000000000001 109.726 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 341' ' ' PHE . 37.8 mt -124.15 115.15 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 1.1499999999999999 109.359 179.563 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.92 44.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 2.79 109.731 179.9 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.57 135.04 8.51 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.868 -1.293 . . . . 0.45000000000000001 109.868 179.639 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 39.8 ttm180 -71.06 -56.94 5.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.458 -1.025 . . . . 3.1600000000000001 109.569 179.877 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.31 -39.54 79.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -0.864 . . . . 2.2200000000000002 109.577 -179.894 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.478 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.73 -46.36 84.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.128 -0.983 . . . . 3.54 109.904 -179.579 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.8 t80 -55.23 -59.13 5.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.5 109.713 -179.73 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.24 -35.9 39.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 1.6599999999999999 110.05 -179.571 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.22 -49.96 72.12 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.23 -0.919 . . . . 1.1499999999999999 110.35 -179.036 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.502 ' CB ' HD12 ' A' ' 332' ' ' ILE . 27.0 m-85 -62.4 -51.6 66.93 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.103 -0.998 . . . . 0.34000000000000002 109.338 -179.648 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -50.22 -36.33 30.36 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.9399999999999999 109.776 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.91 -50.13 74.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.032 -1.042 . . . . 1.74 109.638 -179.695 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.7 -33.16 73.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 108.995 179.853 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.62 -55.6 32.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 1.22 109.671 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.59 -31.8 73.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 1.72 110.122 -179.422 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -57.55 12.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.109 -0.994 . . . . 1.0700000000000001 110.025 -179.605 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.72 -41.36 95.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.642 -179.435 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.42 -34.49 74.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.735 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.2 tt -65.7 -46.5 78.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.476 -179.485 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.2 -40.08 92.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 2.1400000000000001 108.945 179.694 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.59 -32.49 65.28 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.602 -0.686 . . . . 1.4299999999999999 109.747 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.33 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 1.3 109.556 -179.763 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 1.4199999999999999 109.679 179.841 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.317 -0.623 . . . . 1.6100000000000001 109.317 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 41.8 m-85 -93.1 160.18 14.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.199 -0.938 . . . . 0.96999999999999997 109.511 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 99.5 m-85 -137.08 -168.37 2.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.59999999999999998 109.429 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -155.1 151.89 28.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -0.958 . . . . 1.1000000000000001 109.547 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -147.14 131.67 17.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.507 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.8 tt0 -86.99 133.82 33.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 1.3600000000000001 109.653 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' B' ' 341' ' ' PHE . 37.7 mt -124.04 115.33 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 1.1699999999999999 109.361 179.586 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 145.93 43.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.169 -0.957 . . . . 2.79 109.587 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.84 8.43 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.887 -1.285 . . . . 0.47999999999999998 109.887 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.479 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 39.9 ttm180 -70.95 -56.97 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 3.2200000000000002 109.571 179.869 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.18 -39.57 79.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 2.21 109.677 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.69 -46.32 84.47 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.33 -0.856 . . . . 3.5499999999999998 109.942 -179.566 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.8 t80 -55.29 -59.11 5.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.37 -0.831 . . . . 0.52000000000000002 109.702 -179.718 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.32 -35.84 39.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 1.6799999999999999 110.038 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.2 -50.08 71.71 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.298 -179.075 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' B' ' 332' ' ' ILE . 27.2 m-85 -62.38 -51.48 67.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.072 . . . . 0.33000000000000002 109.409 -179.646 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.21 -36.53 31.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.38 -0.825 . . . . 3.02 109.742 179.922 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.82 -50.11 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.077 -1.014 . . . . 1.75 109.665 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.76 -33.16 73.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 108.997 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.49 -55.72 31.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -0.8 . . . . 1.21 109.616 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.57 -31.6 72.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -0.835 . . . . 1.6899999999999999 110.131 -179.373 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.32 -57.46 12.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 1.0600000000000001 110.054 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.8 -41.23 95.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 1.0800000000000001 109.649 -179.465 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.48 -34.52 74.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.706 -179.965 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.2 tt -65.67 -46.47 78.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.921 . . . . 1.1399999999999999 109.533 -179.514 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.22 -40.0 92.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 2.1899999999999999 108.976 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.63 -32.6 65.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.684 -0.635 . . . . 1.4299999999999999 109.606 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -53.36 35.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 1.3100000000000001 109.637 -179.799 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.314 -0.866 . . . . 1.3999999999999999 109.623 179.846 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.298 -0.63 . . . . 2.1099999999999999 109.298 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 42.8 m-85 -93.18 160.35 14.88 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.121 -0.987 . . . . 1.01 109.499 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 99.6 m-85 -137.1 -168.18 2.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.57999999999999996 109.302 -179.905 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.7 p -155.35 151.78 28.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 1.1599999999999999 109.526 -179.923 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.1 131.4 17.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 1.1699999999999999 109.484 -179.585 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.9 tt0 -86.63 133.99 33.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.8100000000000001 109.733 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' C' ' 341' ' ' PHE . 37.3 mt -124.2 115.21 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.1299999999999999 109.413 179.517 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 145.89 44.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 2.8199999999999998 109.65 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.95 8.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.89 -1.284 . . . . 0.45000000000000001 109.89 179.568 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 39.9 ttm180 -71.11 -56.86 5.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -1.045 . . . . 3.0800000000000001 109.505 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.19 -39.67 79.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 2.54 109.632 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.74 -46.33 84.6 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.312 -0.868 . . . . 4.1100000000000003 109.889 -179.474 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.8 t80 -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.347 -0.846 . . . . 0.56999999999999995 109.723 -179.782 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.37 -35.82 40.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.898 . . . . 1.6599999999999999 110.059 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.16 -50.05 71.9 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.258 -0.901 . . . . 1.29 110.318 -179.083 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' C' ' 332' ' ' ILE . 27.1 m-85 -62.44 -51.45 67.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.082 -1.011 . . . . 0.40000000000000002 109.359 -179.611 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.31 -36.32 31.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 3.8500000000000001 109.805 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.04 -49.88 75.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.045 -1.035 . . . . 1.78 109.637 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.05 -32.97 73.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.9 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.66 -55.6 32.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 1.2 109.648 179.7 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.65 -31.55 72.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 110.094 -179.386 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.46 -57.49 11.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.894 -179.501 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.57 -41.55 94.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 1.1399999999999999 109.607 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.35 -34.59 74.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 2.0899999999999999 109.759 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.433 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.2 tt -65.58 -46.49 79.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 1.3799999999999999 109.54 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.24 -39.96 92.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 2.6800000000000002 108.987 179.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.67 -32.48 65.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 1.3400000000000001 109.65 179.751 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.37 34.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 1.3 109.553 -179.725 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 1.8 109.686 179.891 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.238 -0.652 . . . . 1.6699999999999999 109.238 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 41.6 m-85 -93.08 160.32 14.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 1.01 109.552 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 99.6 m-85 -137.21 -168.37 2.28 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.63 109.407 -179.967 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.569 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.8 p -155.32 151.33 27.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 1.1299999999999999 109.529 -179.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.75 131.65 18.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.196 -0.94 . . . . 1.1000000000000001 109.446 -179.622 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -86.86 133.85 33.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.604 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.513 HD12 ' CB ' ' D' ' 341' ' ' PHE . 37.5 mt -123.98 115.41 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 1.1499999999999999 109.424 179.48 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 145.85 43.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.175 -0.953 . . . . 2.77 109.645 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.41 135.15 8.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.903 -1.279 . . . . 0.42999999999999999 109.903 179.629 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 39.8 ttm180 -70.92 -57.11 4.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -1.124 . . . . 3.1200000000000001 109.595 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.22 -39.57 79.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -0.909 . . . . 2.2200000000000002 109.651 -179.921 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.482 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -46.39 84.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.248 -0.908 . . . . 3.5 109.885 -179.585 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -55.32 -58.93 5.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.5 109.724 -179.66 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.45 -35.86 41.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 110.032 -179.594 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.17 -50.0 72.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.124 -0.985 . . . . 1.1399999999999999 110.354 -179.044 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.513 ' CB ' HD12 ' D' ' 332' ' ' ILE . 27.1 m-85 -62.29 -51.61 67.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.062 -1.024 . . . . 0.32000000000000001 109.397 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -50.19 -36.51 30.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 2.96 109.686 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.94 -49.99 75.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 1.75 109.61 -179.516 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.81 -33.1 73.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 108.965 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.67 -55.68 31.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 1.22 109.577 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.55 -31.52 72.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 1.73 110.173 -179.462 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.49 -57.51 11.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 109.979 -179.528 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.63 -41.37 94.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 1.1100000000000001 109.655 -179.484 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -34.46 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.775 179.989 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.2 tt -65.69 -46.51 78.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 1.1699999999999999 109.476 -179.558 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.05 -40.09 92.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 2.1499999999999999 109.049 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.7 -32.49 65.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.631 -0.668 . . . . 1.4399999999999999 109.624 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.34 34.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 1.3 109.572 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.284 -0.885 . . . . 1.3999999999999999 109.705 179.759 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.279 0.561 . . . . 1.7 109.623 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.32 160.51 14.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 1.04 109.428 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.62 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.9 m-85 -140.31 -173.75 3.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.65000000000000002 109.515 -179.977 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 70.2 p -153.21 157.26 39.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 1.1399999999999999 109.549 -179.72 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.7 tp -148.03 130.9 16.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.941 . . . . 1.0900000000000001 109.414 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.5 tt0 -86.56 131.1 34.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 1.3700000000000001 109.646 -179.736 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mt -123.86 115.36 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 1.1499999999999999 109.548 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -73.33 147.53 44.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 2.79 109.466 179.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.06 131.6 5.85 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.784 -1.326 . . . . 0.45000000000000001 109.784 179.655 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.467 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 24.4 ttp180 -74.21 -54.03 8.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 3.1600000000000001 109.362 179.846 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.33 -43.66 88.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 109.568 179.899 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -42.8 99.03 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.305 -0.872 . . . . 3.54 109.403 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.9 t80 -55.8 -53.24 59.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.786 . . . . 0.5 109.822 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.85 -36.07 35.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 109.989 -179.688 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.29 -48.8 76.59 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.148 -0.97 . . . . 1.1499999999999999 110.143 -179.463 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.33 -54.79 39.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.187 -0.945 . . . . 0.34000000000000002 109.384 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -50.96 -34.55 29.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 2.9399999999999999 109.544 179.84 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.64 -51.12 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.177 -0.952 . . . . 1.74 109.73 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.65 -34.36 75.57 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 109.062 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.07 -51.58 69.43 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.415 -0.803 . . . . 1.22 109.402 179.543 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.58 74.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 1.72 109.65 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.6 72.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 1.0700000000000001 109.92 -179.762 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.422 ' HB2' ' NH2' ' C' ' 337' ' ' ARG . 70.3 mt -61.78 -45.62 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.739 -179.585 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -35.19 73.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.983 . . . . 1.9099999999999999 109.707 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.518 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 30.5 tp -65.31 -46.05 81.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 1.1499999999999999 109.555 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.41 -38.3 86.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.278 -0.888 . . . . 2.1400000000000001 108.762 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.66 -37.06 70.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.511 -0.743 . . . . 1.4299999999999999 109.345 179.668 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.286 -0.883 . . . . 1.3 109.484 179.887 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.4199999999999999 109.648 179.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.226 0.536 . . . . 1.6100000000000001 109.597 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -93.31 160.58 14.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.96999999999999997 109.462 179.878 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.9 m-85 -140.35 -173.79 3.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 0.59999999999999998 109.483 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 71.9 p -153.19 157.4 40.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 1.1000000000000001 109.632 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.7 tp -148.18 130.89 15.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.927 . . . . 1.1000000000000001 109.272 -179.884 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.5 tt0 -86.53 131.23 34.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.3600000000000001 109.632 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.6 mt -123.98 115.41 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 1.1699999999999999 109.569 179.759 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 6.1 ttt180 -73.47 147.65 43.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 2.79 109.587 179.933 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 92.96 131.63 5.83 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.811 -1.315 . . . . 0.47999999999999998 109.811 179.767 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.451 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 24.3 ttp180 -74.22 -53.93 8.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -1.092 . . . . 3.2200000000000002 109.357 179.866 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.41 -43.67 88.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 2.21 109.428 179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.415 ' NH2' ' HB2' ' D' ' 348' ' ' LEU . 0.2 OUTLIER -61.06 -42.59 98.78 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.394 -0.816 . . . . 3.5499999999999998 109.423 -179.95 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.435 ' CE1' ' O ' ' D' ' 329' ' ' THR . 45.0 t80 -55.97 -53.27 58.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.419 -0.8 . . . . 0.52000000000000002 109.741 -179.846 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.78 -36.09 35.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.307 -0.87 . . . . 1.6799999999999999 109.994 -179.693 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.23 -48.83 76.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.137 -0.977 . . . . 1.1499999999999999 110.133 -179.458 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.35 -54.77 39.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.957 . . . . 0.33000000000000002 109.408 -179.766 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -50.9 -34.52 28.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.395 -0.816 . . . . 3.02 109.619 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.68 -51.22 70.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 1.75 109.666 -179.849 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.66 -34.21 75.32 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.109 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.09 -51.7 68.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.21 109.333 179.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.07 -32.67 74.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.675 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.64 72.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 1.0600000000000001 109.939 -179.796 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.72 -45.64 93.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 1.0800000000000001 109.773 -179.604 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.54 -35.31 73.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.679 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 30.2 tp -65.24 -46.05 82.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 1.1399999999999999 109.543 -179.781 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.41 -38.36 86.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 2.1899999999999999 108.823 179.796 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.56 -36.98 69.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.416 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.2 78.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.306 -0.871 . . . . 1.3100000000000001 109.41 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.3999999999999999 109.61 -179.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.306 0.574 . . . . 2.1099999999999999 109.588 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.33 160.45 14.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 1.01 109.45 179.94 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.9 m-85 -140.26 -173.81 3.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.474 -179.979 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 70.8 p -153.06 157.37 40.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.169 -0.957 . . . . 1.1599999999999999 109.639 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.7 tp -148.05 130.78 16.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.91 . . . . 1.1699999999999999 109.427 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -86.52 131.11 34.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.73 -179.851 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 29.6 mt -123.82 115.41 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.893 . . . . 1.1299999999999999 109.577 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -73.4 147.5 44.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 2.8199999999999998 109.556 179.843 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.0 131.69 5.87 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.836 -1.305 . . . . 0.45000000000000001 109.836 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.62 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 24.2 ttp180 -74.31 -53.92 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -1.1 . . . . 3.0800000000000001 109.341 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.38 -43.88 88.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.335 -0.853 . . . . 2.54 109.468 179.98 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.422 ' NH2' ' HB2' ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.83 -42.71 98.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.334 -0.854 . . . . 4.1100000000000003 109.439 179.971 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 329' ' ' THR . 45.0 t80 -55.89 -53.26 58.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.484 -0.76 . . . . 0.56999999999999995 109.79 -179.847 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.86 -36.1 36.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 1.6599999999999999 109.928 -179.659 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.23 -48.9 76.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.116 -0.99 . . . . 1.29 110.075 -179.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.25 -54.91 38.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.40000000000000002 109.403 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.52 28.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 3.8500000000000001 109.61 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -60.73 -51.05 71.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 1.78 109.71 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.74 -34.26 75.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.048 179.791 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.09 -51.65 69.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.382 -0.824 . . . . 1.2 109.26 179.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.16 -32.57 74.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.85 . . . . 2.1200000000000001 109.612 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.52 72.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.899 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.7 -45.78 92.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.206 -0.934 . . . . 1.1399999999999999 109.731 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.47 -35.23 73.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.683 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 30.5 tp -65.24 -46.21 81.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 1.3799999999999999 109.576 -179.817 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.21 -38.43 86.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.407 -0.808 . . . . 2.6800000000000002 108.846 179.802 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.54 -37.01 69.91 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.472 -0.768 . . . . 1.3400000000000001 109.395 179.587 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.16 78.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 1.3 109.368 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.428 ' NE2' ' CD1' ' D' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 1.8 109.643 -179.933 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.257 0.551 . . . . 1.6699999999999999 109.64 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.3 160.59 14.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 1.01 109.419 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.9 m-85 -140.4 -173.75 3.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.63 109.438 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.435 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 69.3 p -153.17 157.39 40.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.253 -0.905 . . . . 1.1299999999999999 109.575 -179.666 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.7 tp -148.18 130.9 15.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.375 -0.828 . . . . 1.1000000000000001 109.37 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 5.5 tt0 -86.65 131.33 34.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.599 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mt -124.0 115.43 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 1.1499999999999999 109.446 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 6.0 ttt180 -73.42 147.58 44.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 2.77 109.469 179.901 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 93.0 131.6 5.83 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.803 -1.319 . . . . 0.42999999999999999 109.803 179.676 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 24.4 ttp180 -74.19 -53.92 8.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -1.121 . . . . 3.1200000000000001 109.41 179.806 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.44 -43.76 88.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 2.2200000000000002 109.463 179.988 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -42.68 98.44 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.278 -0.889 . . . . 3.5 109.434 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' B' ' 329' ' ' THR . 45.2 t80 -55.84 -53.32 58.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.5 109.718 -179.838 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -50.92 -36.07 36.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.881 -179.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.15 -48.97 76.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.195 -0.941 . . . . 1.1399999999999999 110.119 -179.444 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.2 -54.83 39.31 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 109.446 -179.793 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.53 28.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 2.96 109.603 179.835 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.7 -51.27 70.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 1.75 109.652 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.58 -34.31 75.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.247 -0.908 . . . . 1.0800000000000001 109.104 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.06 -51.68 69.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.384 -0.823 . . . . 1.22 109.315 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.14 -32.63 74.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.821 . . . . 1.73 109.613 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.56 72.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 1.0700000000000001 109.945 -179.733 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.415 ' HB2' ' NH2' ' B' ' 337' ' ' ARG . 70.2 mt -61.77 -45.67 92.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 1.1100000000000001 109.731 -179.698 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.51 -35.3 73.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 1.9099999999999999 109.635 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.491 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 30.7 tp -65.23 -46.1 81.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.814 . . . . 1.1699999999999999 109.582 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.27 -38.34 86.37 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.37 -0.831 . . . . 2.1499999999999999 108.876 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.61 -36.97 70.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.488 -0.757 . . . . 1.4399999999999999 109.43 179.54 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.13 78.44 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 1.3 109.478 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.449 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 1.3999999999999999 109.641 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.237 -0.653 . . . . 1.7 109.237 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -95.51 146.34 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.14 -0.975 . . . . 1.04 109.775 179.937 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.8 m-85 -137.62 -173.19 3.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.205 -0.934 . . . . 0.65000000000000002 109.376 179.926 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.9 p -152.55 164.77 36.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 1.1399999999999999 109.255 -179.941 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.28 131.95 16.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 1.0900000000000001 109.62 -179.68 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.46 127.79 34.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.342 -0.849 . . . . 1.3700000000000001 109.132 179.755 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.53 109.54 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.141 -0.975 . . . . 1.1499999999999999 109.879 -179.841 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.46 ' CG ' ' NH1' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.57 129.28 37.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.436 -0.79 . . . . 2.79 109.136 179.614 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.446 ' HA2' ' NH2' ' A' ' 333' ' ' ARG . . . 116.72 129.86 4.39 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.583 -1.407 . . . . 0.45000000000000001 109.583 -179.966 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -76.82 -57.58 3.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -1.172 . . . . 3.1600000000000001 109.423 179.906 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.54 -44.36 89.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.323 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -44.07 95.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.325 -0.859 . . . . 3.54 109.405 179.996 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 62.7 t80 -55.62 -53.23 59.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.5 109.749 -179.873 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.44 -37.21 36.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 110.035 -179.628 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.71 81.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.148 -0.97 . . . . 1.1499999999999999 110.143 -179.514 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.02 -53.54 55.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.34000000000000002 109.283 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.91 -35.57 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.854 . . . . 2.9399999999999999 109.546 179.763 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.14 -51.14 70.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.74 109.952 -179.644 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 109.019 -179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.14 -53.65 55.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.468 -0.77 . . . . 1.22 109.448 179.586 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.99 -31.79 73.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.72 110.023 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.76 -54.14 48.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 110.006 -179.704 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.07 -41.27 96.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.567 -179.745 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.42 -34.99 74.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.9099999999999999 109.447 179.868 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.01 -46.66 80.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.349 -0.844 . . . . 1.1499999999999999 109.521 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . 9.9 ttmm -61.2 -40.97 95.94 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.911 -0.774 . . . . 2.1400000000000001 108.911 179.813 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -31.13 67.22 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.613 -0.679 . . . . 1.4299999999999999 109.574 179.661 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.77 81.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 1.3 109.616 -179.673 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 1.4199999999999999 109.419 179.914 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.219 -0.66 . . . . 1.6100000000000001 109.219 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -95.63 146.3 24.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.164 -0.96 . . . . 0.96999999999999997 109.713 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -137.64 -173.29 3.45 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.213 -0.929 . . . . 0.59999999999999998 109.408 179.876 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -152.51 164.71 37.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.132 -0.98 . . . . 1.1000000000000001 109.305 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.15 132.05 17.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.23 -0.919 . . . . 1.1000000000000001 109.635 -179.639 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.54 127.76 34.54 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 1.3600000000000001 109.083 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.47 109.5 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.13 -0.982 . . . . 1.1699999999999999 109.889 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.46 ' CG ' ' NH1' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.51 129.18 37.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.354 -0.841 . . . . 2.79 109.12 179.596 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.442 ' HA2' ' NH2' ' B' ' 333' ' ' ARG . . . 116.69 129.98 4.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.555 -1.418 . . . . 0.47999999999999998 109.555 179.934 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.548 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -76.88 -57.56 3.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -1.137 . . . . 3.2200000000000002 109.36 179.996 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.57 -44.29 89.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 2.21 109.355 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -44.0 96.24 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.268 -0.895 . . . . 3.5499999999999998 109.465 179.931 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' O ' ' D' ' 329' ' ' THR . 62.1 t80 -55.77 -53.11 60.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.333 -0.854 . . . . 0.52000000000000002 109.71 -179.859 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.57 -37.21 38.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 1.6799999999999999 109.894 -179.548 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.67 82.08 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.027 -1.046 . . . . 1.1499999999999999 110.097 -179.487 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.03 -53.55 55.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.15 -0.968 . . . . 0.33000000000000002 109.306 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.96 -35.51 33.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.842 . . . . 3.02 109.521 179.773 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.14 -51.12 70.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 1.75 110.005 -179.685 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.77 -34.98 75.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.927 . . . . 1.0700000000000001 109.073 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.2 -53.63 56.12 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.793 . . . . 1.21 109.485 179.643 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.93 -31.84 73.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.499 -0.75 . . . . 1.6899999999999999 110.013 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.18 48.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 1.0600000000000001 109.938 -179.57 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.04 -41.36 96.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.509 -179.662 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.22 -35.07 74.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 1.9299999999999999 109.463 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.07 -46.57 80.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.379 -0.825 . . . . 1.1399999999999999 109.505 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -61.23 -41.02 96.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.832 . . . . 2.1899999999999999 108.878 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -31.06 66.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.613 -0.679 . . . . 1.4299999999999999 109.668 179.642 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -45.7 81.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 1.3100000000000001 109.557 -179.679 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 1.3999999999999999 109.429 179.916 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.208 -0.664 . . . . 2.1099999999999999 109.208 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -95.65 146.42 24.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.965 . . . . 1.01 109.586 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -137.73 -173.22 3.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.248 -0.907 . . . . 0.57999999999999996 109.332 179.885 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.0 p -152.52 164.72 37.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 1.1599999999999999 109.218 -179.872 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.21 131.99 16.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 109.672 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.55 127.81 34.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.327 -0.858 . . . . 1.8100000000000001 109.1 179.771 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.9 mt -123.56 109.53 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 1.1299999999999999 109.855 -179.804 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.454 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.51 129.25 37.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 2.8199999999999998 109.209 179.633 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.447 ' HA2' ' NH2' ' C' ' 333' ' ' ARG . . . 116.72 129.88 4.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.668 -1.373 . . . . 0.45000000000000001 109.668 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -76.95 -57.47 3.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -1.142 . . . . 3.0800000000000001 109.386 -179.988 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.53 -44.4 89.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 2.54 109.314 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.12 95.95 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.36 -0.838 . . . . 4.1100000000000003 109.321 -179.937 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 329' ' ' THR . 62.1 t80 -55.66 -53.23 59.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.391 -0.818 . . . . 0.56999999999999995 109.719 -179.783 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.34 -37.31 36.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.6599999999999999 110.024 -179.675 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.08 -47.55 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.029 -1.044 . . . . 1.29 110.082 -179.43 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.15 -53.54 55.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.40000000000000002 109.197 -179.839 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.97 -35.53 34.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.334 -0.854 . . . . 3.8500000000000001 109.502 179.792 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.16 -51.15 70.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.158 -0.964 . . . . 1.78 109.868 -179.645 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.88 -34.95 75.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.068 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.07 -53.67 55.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.394 -0.816 . . . . 1.2 109.47 179.508 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.95 -31.84 73.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.982 -179.677 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.11 49.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 110.024 -179.641 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.1 -41.31 96.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 109.538 -179.725 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.17 -35.15 74.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 2.0899999999999999 109.538 179.775 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.06 -46.66 80.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 1.3799999999999999 109.484 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.17 -40.87 95.52 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.439 -0.788 . . . . 2.6800000000000002 108.998 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -31.09 67.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.602 -0.686 . . . . 1.3400000000000001 109.603 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.84 81.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 1.3 109.563 -179.655 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.8 109.419 179.975 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.281 -0.637 . . . . 1.6699999999999999 109.281 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -95.4 146.25 24.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -0.976 . . . . 1.01 109.757 -179.963 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -137.6 -173.21 3.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.63 109.38 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.512 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.0 p -152.56 164.67 37.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.198 -0.938 . . . . 1.1299999999999999 109.294 -179.902 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.21 132.05 17.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 1.1000000000000001 109.581 -179.664 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.55 127.75 34.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.3700000000000001 109.079 179.797 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.5 mt -123.51 109.46 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.214 -0.929 . . . . 1.1499999999999999 109.814 -179.736 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.453 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.49 129.23 37.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.77 109.158 179.592 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.445 ' HA2' ' NH2' ' D' ' 333' ' ' ARG . . . 116.7 129.9 4.4 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.68 -1.368 . . . . 0.42999999999999999 109.68 -179.975 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -76.87 -57.61 3.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -1.15 . . . . 3.1200000000000001 109.397 -179.971 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.5 -44.45 89.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 2.2200000000000002 109.275 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.04 95.93 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.403 -0.811 . . . . 3.5 109.451 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' B' ' 329' ' ' THR . 62.3 t80 -55.65 -53.21 59.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.376 -0.828 . . . . 0.5 109.697 -179.88 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.47 -37.26 37.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 1.6899999999999999 109.997 -179.615 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -62.94 -47.73 81.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 110.108 -179.523 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.04 -53.54 55.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.224 -0.922 . . . . 0.32000000000000001 109.258 -179.853 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.89 -35.62 33.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 2.96 109.558 179.707 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.09 -51.14 70.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 1.75 109.906 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -35.01 75.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.131 -0.98 . . . . 1.0800000000000001 108.992 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.08 -53.64 56.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.817 . . . . 1.22 109.529 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.92 -31.9 73.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.451 -0.781 . . . . 1.73 109.996 -179.763 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.22 47.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 1.0700000000000001 109.949 -179.605 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.99 -41.3 96.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.907 . . . . 1.1100000000000001 109.594 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.24 -35.03 74.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.328 -0.858 . . . . 1.9099999999999999 109.525 179.779 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.12 -46.63 80.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.288 -0.883 . . . . 1.1699999999999999 109.434 -179.87 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.16 -41.0 95.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.327 -0.858 . . . . 2.1499999999999999 108.915 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -31.09 67.27 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.687 -0.633 . . . . 1.4399999999999999 109.576 179.7 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.91 81.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.3 109.587 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.3999999999999999 109.396 -179.998 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.454 -0.573 . . . . 1.7 109.454 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.1 156.85 16.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 1.04 109.374 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.1 m-85 -139.0 -169.77 2.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.65000000000000002 109.514 -179.934 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.8 p -153.94 157.02 38.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.173 -0.954 . . . . 1.1399999999999999 109.403 -179.778 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.3 tp -149.16 134.09 18.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 1.0900000000000001 109.409 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -86.38 132.28 34.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 109.583 -179.978 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.82 117.37 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.46 179.728 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.4 147.46 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.893 . . . . 2.79 109.673 179.984 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.32 138.81 8.05 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.814 -1.314 . . . . 0.45000000000000001 109.814 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.0 ttt180 -81.36 -52.45 7.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -1.095 . . . . 3.1600000000000001 109.482 179.903 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.62 85.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 2.2200000000000002 109.482 179.908 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.323 -0.861 . . . . 3.54 109.478 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.02 -56.46 19.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.887 . . . . 0.5 109.495 179.94 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.51 -33.43 31.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.713 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.439 ' CG ' ' SD ' ' D' ' 340' ' ' MET . 10.2 ttp -63.3 -50.84 68.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.184 -0.947 . . . . 1.1499999999999999 110.036 -179.614 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -60.87 -53.99 50.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.34000000000000002 109.225 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.93 -34.69 29.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 2.9399999999999999 109.616 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.24 -51.37 69.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.181 -0.949 . . . . 1.74 109.741 -179.799 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.407 HD21 HD21 ' B' ' 344' ' ' LEU . 70.9 mt -60.88 -34.06 74.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.057 179.933 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.5 -52.99 63.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.405 -0.809 . . . . 1.22 109.702 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.67 -34.44 77.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 1.72 110.027 -179.579 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.76 68.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 1.0700000000000001 110.073 -179.471 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.23 -42.13 98.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.865 . . . . 1.0800000000000001 109.755 -179.577 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.48 78.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.9099999999999999 109.731 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 16.3 tp -64.55 -42.7 95.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.885 . . . . 1.1499999999999999 109.694 -179.794 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.17 -42.88 99.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.35 -0.844 . . . . 2.1400000000000001 109.242 -179.944 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.36 -40.08 73.95 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.485 -0.759 . . . . 1.4299999999999999 109.83 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.39 81.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 1.3 109.667 -179.701 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 1.6 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.276 -0.89 . . . . 1.4199999999999999 109.762 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 1.6100000000000001 109.386 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 12.6 m-85 -93.08 156.83 16.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.96999999999999997 109.389 179.884 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 68.6 m-85 -138.96 -169.69 2.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.59999999999999998 109.565 -179.956 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.494 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 68.2 p -154.09 156.85 38.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.175 -0.953 . . . . 1.1000000000000001 109.593 -179.836 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' D' ' 342' ' ' ARG . 14.3 tp -149.08 134.12 18.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 109.427 -179.746 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -86.49 132.4 33.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 109.465 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.92 117.44 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 1.1699999999999999 109.384 179.787 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.57 147.45 43.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 2.79 109.624 -179.953 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.35 138.87 8.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.858 -1.297 . . . . 0.47999999999999998 109.858 179.769 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 37.9 ttt180 -81.51 -52.41 7.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.44 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -46.69 85.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.354 -0.841 . . . . 2.21 109.425 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 3.1 ttm180 -60.46 -40.99 93.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 3.5499999999999998 109.439 -179.969 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.3 t80 -54.94 -56.48 19.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.323 -0.861 . . . . 0.52000000000000002 109.489 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.58 -33.34 32.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.33 -0.856 . . . . 1.6799999999999999 109.671 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -63.34 -50.78 68.64 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.001 -179.569 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -60.91 -53.97 50.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.214 -0.929 . . . . 0.33000000000000002 109.237 -179.805 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.92 -34.75 29.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.384 -0.822 . . . . 3.02 109.595 179.862 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.3 -51.29 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 1.75 109.702 -179.725 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.407 HD21 HD21 ' A' ' 344' ' ' LEU . 71.5 mt -60.93 -34.02 74.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.198 -0.939 . . . . 1.0700000000000001 109.046 179.872 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.434 ' HB2' HD22 ' D' ' 330' ' ' LEU . 11.3 t-20 -59.44 -53.22 60.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.391 -0.818 . . . . 1.21 109.633 179.663 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.64 -34.39 76.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 1.6899999999999999 110.031 -179.444 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.11 -51.75 68.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 1.0600000000000001 110.095 -179.557 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.22 -42.08 97.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 1.0800000000000001 109.772 -179.607 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.44 78.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.289 -0.882 . . . . 1.9299999999999999 109.738 -179.91 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.77 95.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.1399999999999999 109.634 -179.813 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.9 ttmt -62.08 -42.97 99.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.387 -0.821 . . . . 2.1899999999999999 109.274 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.4 -39.97 73.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.561 -0.712 . . . . 1.4299999999999999 109.881 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.37 81.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 1.3100000000000001 109.659 -179.775 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 1.6 mt-30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.917 . . . . 1.3999999999999999 109.796 -179.834 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.391 -0.596 . . . . 2.1099999999999999 109.391 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 12.7 m-85 -93.06 156.93 16.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 1.01 109.394 179.886 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.8 m-85 -139.04 -169.81 2.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.231 -0.918 . . . . 0.57999999999999996 109.565 -179.91 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.3 p -153.99 157.02 38.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 1.1599999999999999 109.442 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.3 tp -149.12 133.97 17.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.929 . . . . 1.1699999999999999 109.351 -179.665 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -86.34 132.37 33.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.321 -0.862 . . . . 1.8100000000000001 109.584 179.951 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' C' ' 341' ' ' PHE . 33.5 mt -123.87 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 1.1299999999999999 109.351 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.61 147.52 43.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 2.8199999999999998 109.58 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.42 138.84 8.11 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.816 -1.314 . . . . 0.45000000000000001 109.816 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.0 ttt180 -81.46 -52.41 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.357 -1.084 . . . . 3.0800000000000001 109.463 179.813 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -46.65 85.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -0.845 . . . . 2.54 109.444 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.64 -40.91 93.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -0.908 . . . . 4.1100000000000003 109.451 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.0 t80 -55.01 -56.37 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 0.56999999999999995 109.46 -179.97 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -51.62 -33.42 33.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.922 . . . . 1.6599999999999999 109.569 -179.902 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.35 -50.78 68.61 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.277 -0.889 . . . . 1.29 110.051 -179.554 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' C' ' 332' ' ' ILE . 34.3 m-85 -60.93 -53.91 51.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.284 -0.885 . . . . 0.40000000000000002 109.253 -179.896 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -51.06 -34.68 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.403 -0.811 . . . . 3.8500000000000001 109.61 179.957 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.21 -51.32 70.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.197 -0.94 . . . . 1.78 109.731 -179.758 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.85 -34.06 74.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.13 179.818 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.43 -53.12 61.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 1.2 109.682 179.692 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.74 -34.3 76.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.405 -0.81 . . . . 2.1200000000000001 110.006 -179.498 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.14 -51.8 68.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 1.0700000000000001 110.014 -179.524 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.18 -42.16 98.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 1.1399999999999999 109.76 -179.552 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.49 78.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 2.0899999999999999 109.75 -179.972 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.54 -42.77 95.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 1.3799999999999999 109.702 -179.843 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 12.9 ttmt -61.99 -43.06 99.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 2.6800000000000002 109.27 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.38 -39.96 73.79 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.633 -0.667 . . . . 1.3400000000000001 109.857 -179.979 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.44 81.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 1.3 109.711 -179.769 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.8 109.754 -179.855 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 1.6699999999999999 109.411 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.7 m-85 -93.07 156.92 16.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 1.01 109.338 179.972 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.6 m-85 -139.09 -169.85 2.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.25 -0.907 . . . . 0.63 109.574 -179.939 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 67.8 p -153.93 157.02 38.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 1.1299999999999999 109.484 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.08 134.13 18.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 109.379 -179.729 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.1 tt0 -86.56 132.36 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.243 -0.911 . . . . 1.3700000000000001 109.53 -179.953 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.404 HG22 ' CD2' ' D' ' 341' ' ' PHE . 34.0 mt -123.85 117.43 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 1.1499999999999999 109.399 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.54 147.39 44.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 2.77 109.581 -179.946 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.36 138.72 8.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.837 -1.305 . . . . 0.42999999999999999 109.837 179.72 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.0 ttt180 -81.37 -52.34 7.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -1.102 . . . . 3.1200000000000001 109.461 179.945 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.36 -46.57 86.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.519 179.932 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.66 -40.85 93.58 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.277 -0.889 . . . . 3.5 109.431 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.494 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.3 t80 -54.97 -56.48 19.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.352 -0.842 . . . . 0.5 109.454 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.65 -33.23 32.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.447 -0.783 . . . . 1.6899999999999999 109.63 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.439 ' SD ' ' CG ' ' A' ' 340' ' ' MET . 10.1 ttp -63.3 -50.92 68.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.281 -0.887 . . . . 1.1399999999999999 110.042 -179.619 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' D' ' 332' ' ' ILE . 34.5 m-85 -60.86 -53.82 52.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.32000000000000001 109.391 -179.871 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.423 ' HA ' HD12 ' B' ' 330' ' ' LEU . 13.0 ttp180 -51.05 -34.79 31.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 2.96 109.6 179.817 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.1 -51.46 69.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.139 -0.976 . . . . 1.75 109.814 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.205 -0.934 . . . . 1.0800000000000001 109.099 179.829 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.409 ' HB2' HD22 ' B' ' 330' ' ' LEU . 11.4 t-20 -59.46 -53.16 61.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.379 -0.826 . . . . 1.22 109.656 179.774 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.63 -34.38 76.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.73 110.049 -179.532 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.81 68.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 110.026 -179.54 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 41.4 mt -61.2 -42.06 97.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 1.1100000000000001 109.764 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.52 78.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 1.9099999999999999 109.721 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.86 95.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.604 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 12.9 ttmt -61.98 -42.96 99.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.844 . . . . 2.1499999999999999 109.316 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.32 -40.04 73.75 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.493 -0.755 . . . . 1.4399999999999999 109.919 179.895 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.46 81.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.913 . . . . 1.3 109.716 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.796 -179.823 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.469 -0.567 . . . . 1.7 109.469 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.62 155.13 17.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.158 -0.964 . . . . 1.04 109.698 -179.913 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -140.2 -176.84 4.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.65000000000000002 109.29 179.805 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.491 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.4 p -152.44 156.25 39.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.171 -0.955 . . . . 1.1399999999999999 109.531 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.0 tp -147.45 130.99 16.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 1.0900000000000001 109.517 -179.759 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.3 tt0 -86.43 131.41 34.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.508 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' A' ' 341' ' ' PHE . 31.9 mt -123.86 118.94 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 1.1499999999999999 109.592 179.849 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.32 43.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 2.79 109.48 -179.993 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.78 131.12 3.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.739 -1.344 . . . . 0.45000000000000001 109.739 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.5 ttt180 -76.85 -51.7 10.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -1.17 . . . . 3.1600000000000001 109.589 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 16.9 pt-20 -58.7 -41.76 87.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 2.2200000000000002 109.444 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 8.4 tpp180 -63.13 -43.86 97.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.2 -0.938 . . . . 3.54 109.141 179.69 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' C' ' 329' ' ' THR . 76.0 t80 -55.27 -46.82 76.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.432 -0.793 . . . . 0.5 109.599 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.98 -39.52 59.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.889 . . . . 1.6599999999999999 109.963 -179.617 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.57 -46.1 89.87 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.207 -0.933 . . . . 1.1499999999999999 110.162 -179.259 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.451 ' CD2' HG22 ' A' ' 332' ' ' ILE . 20.5 m-85 -61.24 -49.82 75.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.111 -0.993 . . . . 0.34000000000000002 109.419 -179.657 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -51.5 -43.02 62.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.309 -0.87 . . . . 2.9399999999999999 109.718 179.858 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.97 -41.58 92.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.178 -0.951 . . . . 1.74 109.898 -179.631 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.47 -46.36 88.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.635 -179.804 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -58.33 -43.64 88.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.22 109.777 179.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.86 -39.5 92.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 1.72 109.717 -179.758 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.66 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.317 -0.865 . . . . 1.0700000000000001 109.728 -179.837 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.486 HD11 ' HD2' ' C' ' 337' ' ' ARG . 53.6 mt -62.2 -44.19 97.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 109.685 -179.834 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.77 -37.7 76.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.317 -0.865 . . . . 1.9099999999999999 109.446 -179.894 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.409 ' HG ' HD22 ' B' ' 350' ' ' LEU . 12.7 tp -63.49 -40.49 97.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 109.342 -179.956 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 8.7 ttmm -62.53 -51.19 68.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.394 -0.816 . . . . 2.1400000000000001 109.089 179.845 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.29 -30.15 64.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.564 -0.71 . . . . 1.4299999999999999 109.755 179.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.61 80.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.888 . . . . 1.3 109.976 -179.51 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 1.4199999999999999 109.624 -179.694 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.402 -0.592 . . . . 1.6100000000000001 109.402 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.44 155.11 17.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.96999999999999997 109.785 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.84 4.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.59999999999999998 109.323 179.775 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.0 p -152.41 156.18 39.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.099 -1.001 . . . . 1.1000000000000001 109.6 -179.671 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -147.37 130.86 16.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.592 -179.73 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.3 tt0 -86.44 131.35 34.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.3600000000000001 109.522 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' B' ' 341' ' ' PHE . 32.8 mt -123.84 118.99 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.507 179.898 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.9 OUTLIER -73.48 148.35 43.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.282 -0.886 . . . . 2.79 109.555 179.909 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 131.33 3.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.728 -1.349 . . . . 0.47999999999999998 109.728 179.816 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 61.6 ttt180 -77.05 -51.61 10.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -1.132 . . . . 3.2200000000000002 109.637 179.929 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 16.9 pt-20 -58.64 -41.76 86.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 2.21 109.49 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' B' ' 336' ' ' GLU . 8.4 tpp180 -63.15 -43.92 96.98 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.242 -0.911 . . . . 3.5499999999999998 109.105 179.699 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' D' ' 329' ' ' THR . 75.9 t80 -55.23 -46.97 75.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.468 -0.77 . . . . 0.52000000000000002 109.547 179.938 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.91 -39.55 59.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 1.6799999999999999 110.028 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.55 -46.06 90.09 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.078 -1.014 . . . . 1.1499999999999999 110.259 -179.299 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.2 m-85 -61.09 -49.98 75.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.043 -1.035 . . . . 0.33000000000000002 109.404 -179.767 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.43 -43.09 61.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.384 -0.823 . . . . 3.02 109.683 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.91 -41.58 92.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.955 . . . . 1.75 109.955 -179.646 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.35 -46.53 88.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 1.0700000000000001 109.657 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -43.86 87.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 1.21 109.694 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.65 -39.56 91.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.6899999999999999 109.792 -179.711 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.54 90.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.37 -0.831 . . . . 1.0600000000000001 109.733 -179.785 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.468 HD11 ' HD2' ' D' ' 337' ' ' ARG . 54.2 mt -62.32 -44.18 97.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.599 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.76 -37.67 76.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.535 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 12.6 tp -63.52 -40.41 96.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.379 -0.826 . . . . 1.1399999999999999 109.434 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.51 -51.27 68.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 2.1899999999999999 109.141 179.741 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.19 64.35 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.71 179.844 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.57 80.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 1.3100000000000001 109.994 -179.481 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.765 -179.786 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.483 -0.562 . . . . 2.1099999999999999 109.483 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -94.56 155.21 17.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.913 . . . . 1.01 109.671 -179.957 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.86 4.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.57999999999999996 109.289 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 62.9 p -152.47 156.23 39.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.12 -0.988 . . . . 1.1599999999999999 109.592 -179.753 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -147.39 131.0 16.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.311 -0.868 . . . . 1.1699999999999999 109.553 -179.731 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 42.4 tt0 -86.5 131.37 34.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.8100000000000001 109.499 179.985 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.449 HG22 ' CD2' ' C' ' 341' ' ' PHE . 32.0 mt -123.76 119.08 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 1.1299999999999999 109.534 179.78 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.33 43.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.8199999999999998 109.499 179.822 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.68 131.46 3.94 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.671 -1.371 . . . . 0.45000000000000001 109.671 179.765 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 61.6 ttt180 -77.08 -51.7 10.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.289 -1.124 . . . . 3.0800000000000001 109.643 179.97 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 16.9 pt-20 -58.63 -41.69 86.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.929 . . . . 2.54 109.513 179.948 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.486 ' HD2' HD11 ' A' ' 348' ' ' LEU . 8.4 tpp180 -63.2 -43.86 96.96 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.317 -0.865 . . . . 4.1100000000000003 109.13 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.491 ' CE1' ' O ' ' A' ' 329' ' ' THR . 75.9 t80 -55.38 -46.74 76.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.432 -0.792 . . . . 0.56999999999999995 109.574 179.933 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.01 -39.5 59.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.835 . . . . 1.6599999999999999 110.036 -179.687 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.62 -46.02 90.19 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.134 -0.979 . . . . 1.29 110.249 -179.321 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.449 ' CD2' HG22 ' C' ' 332' ' ' ILE . 20.3 m-85 -61.19 -49.91 75.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.40000000000000002 109.441 -179.793 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.49 -43.03 62.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 3.8500000000000001 109.698 179.897 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.85 -41.69 91.99 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -0.946 . . . . 1.78 109.861 -179.705 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.47 -46.37 88.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.929 . . . . 1.1699999999999999 109.643 -179.736 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -58.38 -43.77 88.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 1.2 109.737 -179.957 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.64 -39.56 91.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 2.1200000000000001 109.751 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.74 90.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.865 . . . . 1.0700000000000001 109.668 -179.803 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.426 HD11 ' HD2' ' A' ' 337' ' ' ARG . 54.1 mt -62.15 -44.16 97.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.674 -179.805 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.9 -37.55 76.88 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 2.0899999999999999 109.552 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.55 -40.39 96.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 1.3799999999999999 109.39 179.961 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.62 -51.17 68.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.456 -0.777 . . . . 2.6800000000000002 109.089 179.799 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.21 64.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.5 -0.75 . . . . 1.3400000000000001 109.746 179.767 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.59 80.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.384 -0.823 . . . . 1.3 109.956 -179.399 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.117 -0.989 . . . . 1.8 109.677 -179.715 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.4 -0.592 . . . . 1.6699999999999999 109.4 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -94.54 155.19 17.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.117 -0.99 . . . . 1.01 109.699 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.6 m-85 -140.36 -176.9 4.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.63 109.295 179.842 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.0 p -152.35 156.28 39.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 1.1299999999999999 109.571 -179.717 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -147.37 130.97 16.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 1.1000000000000001 109.524 -179.733 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -86.53 131.38 34.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.3700000000000001 109.463 179.997 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.446 HG22 ' CD2' ' D' ' 341' ' ' PHE . 32.4 mt -123.84 119.02 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 1.1499999999999999 109.461 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.9 OUTLIER -73.52 148.38 43.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 2.77 109.575 179.815 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.7 131.55 3.98 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.732 -1.347 . . . . 0.42999999999999999 109.732 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 61.8 ttt180 -77.19 -51.75 10.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.348 -1.089 . . . . 3.1200000000000001 109.603 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 16.9 pt-20 -58.62 -41.79 86.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.457 179.972 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' D' ' 336' ' ' GLU . 8.4 tpp180 -63.19 -43.83 97.08 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 3.5 109.136 179.747 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 76.1 t80 -55.24 -46.87 76.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.5 109.626 179.882 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.9 -39.61 59.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.368 -0.833 . . . . 1.6899999999999999 110.06 -179.722 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 1.1399999999999999 110.313 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.446 ' CD2' HG22 ' D' ' 332' ' ' ILE . 20.3 m-85 -61.18 -49.88 75.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.32000000000000001 109.362 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.53 -43.05 62.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.356 -0.84 . . . . 2.96 109.702 179.95 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.9 -41.66 92.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 1.75 109.882 -179.662 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -46.59 88.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.0800000000000001 109.63 -179.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.34 -43.7 88.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.852 . . . . 1.22 109.715 -179.87 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.77 -39.47 91.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 1.73 109.738 -179.765 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.51 90.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.0700000000000001 109.775 -179.835 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' B' ' 337' ' ' ARG . 54.3 mt -62.37 -44.15 97.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 1.1100000000000001 109.627 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.84 -37.65 76.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.468 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.6 tp -63.51 -40.31 96.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 1.1699999999999999 109.443 179.965 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.62 -51.2 68.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 2.1499999999999999 109.095 179.769 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.25 -30.12 64.38 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.814 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.49 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 1.3 109.945 -179.454 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.091 -1.006 . . . . 1.3999999999999999 109.628 -179.733 . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.516 -0.55 . . . . 1.7 109.516 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.78 155.37 16.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.974 . . . . 1.04 109.673 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.2 m-85 -139.68 -169.36 2.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.65000000000000002 109.325 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' C' ' 338' ' ' PHE . 11.9 p -153.34 162.94 40.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 1.1399999999999999 109.693 -179.777 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.2 tp -149.39 133.56 17.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.294 -0.879 . . . . 1.0900000000000001 109.479 -179.782 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.71 34.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.306 -0.871 . . . . 1.3700000000000001 109.198 179.746 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.89 114.36 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.914 . . . . 1.1499999999999999 109.613 -179.787 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.53 150.8 41.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 2.79 109.295 179.789 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.02 130.01 4.53 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.692 -1.363 . . . . 0.45000000000000001 109.692 179.751 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CB ' ' CZ ' ' A' ' 335' ' ' ARG . 0.5 OUTLIER -78.12 -52.78 8.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -1.089 . . . . 3.1600000000000001 109.526 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.19 -48.29 80.78 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 2.2200000000000002 109.426 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.85 -40.21 92.0 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.362 -0.836 . . . . 3.54 109.314 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.466 ' CZ ' ' O ' ' C' ' 329' ' ' THR . 35.7 t80 -54.97 -55.36 31.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.47 -0.769 . . . . 0.5 109.554 -179.933 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.21 39.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.317 -0.864 . . . . 1.6599999999999999 109.946 -179.885 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.42 -47.8 82.5 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.068 -1.02 . . . . 1.1499999999999999 109.772 -179.648 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.48 -47.29 86.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.918 . . . . 0.34000000000000002 108.998 179.867 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -51.9 -39.95 59.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 2.9399999999999999 109.684 179.823 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.8 -49.56 77.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.237 -0.915 . . . . 1.74 109.718 -179.64 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.86 -33.36 72.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.104 -0.998 . . . . 1.0700000000000001 108.951 179.691 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD23 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.48 -55.21 37.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 1.22 109.434 179.64 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.72 -29.09 70.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.789 . . . . 1.72 109.792 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.32 -56.84 16.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.917 . . . . 1.0700000000000001 109.806 -179.661 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.79 -38.14 84.31 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.302 -0.874 . . . . 1.0800000000000001 109.434 -179.834 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.05 -37.23 76.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 109.402 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.48 -40.56 95.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 1.1499999999999999 109.309 179.941 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -49.38 76.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.426 -0.796 . . . . 2.1400000000000001 108.907 179.77 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.68 -29.8 62.74 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.619 -0.676 . . . . 1.4299999999999999 109.462 179.584 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.41 83.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.865 . . . . 1.3 109.734 -179.687 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.4199999999999999 109.431 179.924 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.478 -0.564 . . . . 1.6100000000000001 109.478 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.79 155.45 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.96999999999999997 109.682 179.982 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.4 m-85 -139.75 -169.38 2.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.327 -0.858 . . . . 0.59999999999999998 109.286 179.864 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CZ ' ' D' ' 338' ' ' PHE . 12.0 p -153.28 163.05 40.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 1.1000000000000001 109.648 -179.745 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.2 tp -149.54 133.47 17.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.919 . . . . 1.1000000000000001 109.498 -179.896 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.66 127.74 34.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 1.3600000000000001 109.16 179.846 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 114.39 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -0.969 . . . . 1.1699999999999999 109.718 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.43 150.74 41.48 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 2.79 109.423 179.719 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.13 129.93 4.55 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.47999999999999998 109.757 179.777 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -78.08 -52.79 8.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -1.054 . . . . 3.2200000000000002 109.46 179.949 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.16 -48.46 80.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 2.21 109.388 179.912 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -60.72 -40.23 91.57 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.262 -0.899 . . . . 3.5499999999999998 109.359 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' D' ' 329' ' ' THR . 35.4 t80 -54.88 -55.42 30.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 0.52000000000000002 109.581 -179.972 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -51.84 -34.2 39.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 1.6799999999999999 109.842 -179.864 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.41 -47.82 82.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.16 -0.962 . . . . 1.1499999999999999 109.737 -179.587 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.48 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.33000000000000002 109.152 179.832 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.408 ' HA ' HD12 ' D' ' 330' ' ' LEU . 0.0 OUTLIER -52.07 -39.89 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 3.02 109.687 179.812 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.67 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -0.916 . . . . 1.75 109.696 -179.725 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.75 -33.49 73.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.022 . . . . 1.0700000000000001 108.974 179.769 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.423 ' HB2' HD23 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.31 -55.33 36.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.483 -0.761 . . . . 1.21 109.425 179.643 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.17 70.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.358 -0.839 . . . . 1.6899999999999999 109.8 -179.854 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.21 -56.83 16.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 1.0600000000000001 109.888 -179.724 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.81 -38.1 84.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.853 . . . . 1.0800000000000001 109.342 -179.827 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.09 -37.28 76.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 1.9299999999999999 109.36 179.817 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.49 -40.5 95.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.1399999999999999 109.351 179.993 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.45 76.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.79 . . . . 2.1899999999999999 108.935 179.708 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.63 -29.79 62.58 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.592 -0.692 . . . . 1.4299999999999999 109.49 179.544 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.5 83.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 1.3100000000000001 109.621 -179.634 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.12 -0.988 . . . . 1.3999999999999999 109.475 179.937 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.362 0.601 . . . . 2.1099999999999999 109.516 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.91 155.42 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.077 -1.015 . . . . 1.01 109.737 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -139.64 -169.33 2.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.322 -0.861 . . . . 0.57999999999999996 109.392 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.466 ' O ' ' CZ ' ' A' ' 338' ' ' PHE . 11.7 p -153.35 163.3 40.17 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 1.1599999999999999 109.599 -179.893 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.3 tp -149.67 133.51 16.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 1.1699999999999999 109.447 -179.811 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.7 34.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.8100000000000001 109.179 179.841 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.78 114.44 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 1.1299999999999999 109.707 -179.877 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 150.83 41.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.8199999999999998 109.384 179.754 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.97 129.31 4.28 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.807 -1.317 . . . . 0.45000000000000001 109.807 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -77.25 -52.94 8.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -1.118 . . . . 3.0800000000000001 109.632 179.911 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.18 -48.42 80.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 2.54 109.41 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.76 -40.08 91.17 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.297 -0.877 . . . . 4.1100000000000003 109.418 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -54.9 -55.5 29.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -0.825 . . . . 0.56999999999999995 109.523 179.979 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -51.77 -34.28 38.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 109.922 -179.848 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.33 -47.9 82.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 1.29 109.683 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -47.17 86.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.40000000000000002 109.063 179.924 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -51.96 -39.89 60.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.503 -0.748 . . . . 3.8500000000000001 109.779 179.768 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.68 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 1.78 109.657 -179.672 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.89 -33.39 73.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 1.1699999999999999 108.888 179.859 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' C' ' 342' ' ' ARG . 18.5 t-20 -59.32 -55.38 35.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 1.2 109.396 179.665 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.08 70.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 2.1200000000000001 109.772 -179.824 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.24 -56.9 15.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 109.869 -179.74 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.78 -38.07 84.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 1.1399999999999999 109.378 -179.843 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.18 -37.18 76.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.292 -0.88 . . . . 2.0899999999999999 109.398 179.821 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.42 -40.56 95.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 1.3799999999999999 109.355 179.878 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -49.5 76.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.3 -0.875 . . . . 2.6800000000000002 108.94 179.723 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.55 -29.86 62.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.567 -0.708 . . . . 1.3400000000000001 109.523 179.537 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.45 83.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.328 -0.857 . . . . 1.3 109.662 -179.627 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.108 -0.995 . . . . 1.8 109.362 179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.437 -0.579 . . . . 1.6699999999999999 109.437 . . . . . . . . . 0 0 . 1 . 054 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -95.0 155.49 16.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 1.01 109.664 179.938 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.8 m-85 -139.77 -169.39 2.7 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.368 -0.832 . . . . 0.63 109.248 -179.976 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' B' ' 338' ' ' PHE . 11.9 p -153.34 162.91 40.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 1.1299999999999999 109.664 -179.717 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.423 HD23 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.41 133.63 17.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 1.1000000000000001 109.429 -179.804 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.8 127.84 34.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 109.132 179.807 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.92 114.28 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 109.666 -179.828 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.46 150.68 41.47 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 2.77 109.395 179.739 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.11 129.71 4.47 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.773 -1.331 . . . . 0.42999999999999999 109.773 179.782 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.58 ' CB ' ' CZ ' ' D' ' 335' ' ' ARG . 0.5 OUTLIER -77.69 -52.88 8.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -1.044 . . . . 3.1200000000000001 109.537 179.887 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.34 -48.09 81.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 2.2200000000000002 109.429 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.0 -40.04 92.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.353 -0.842 . . . . 3.5 109.365 179.959 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CZ ' ' O ' ' B' ' 329' ' ' THR . 35.8 t80 -54.99 -55.39 31.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.5 109.565 179.978 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.29 39.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.6899999999999999 109.889 -179.88 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.4 -47.74 82.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.16 -0.963 . . . . 1.1399999999999999 109.751 -179.598 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.5 -47.27 86.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.32000000000000001 109.026 179.908 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -40.0 60.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.417 -0.802 . . . . 2.96 109.581 179.881 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.65 -49.59 76.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -0.852 . . . . 1.75 109.776 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.86 -33.4 73.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.167 -0.958 . . . . 1.0800000000000001 108.926 179.771 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD23 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.33 -55.31 36.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.392 -0.818 . . . . 1.22 109.501 179.571 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.7 -29.09 70.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.423 -0.798 . . . . 1.73 109.786 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.2 -56.89 16.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 1.0700000000000001 109.854 -179.714 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.89 -38.07 84.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 1.1100000000000001 109.396 -179.783 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.11 -37.21 76.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.376 179.76 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.5 -40.5 95.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.242 -0.911 . . . . 1.1699999999999999 109.325 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.53 76.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 2.1499999999999999 108.861 179.693 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.67 -29.82 62.74 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.656 -0.652 . . . . 1.4399999999999999 109.472 179.643 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.57 83.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.41 -0.806 . . . . 1.3 109.63 -179.695 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 1.3999999999999999 109.443 -179.992 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.258 0.551 . . . . 1.7 109.535 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.297 -0.877 . . . . 1.04 109.396 179.826 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.7 m-85 -138.09 -168.31 2.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 109.55 -179.902 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.406 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 19.7 p -153.2 162.67 41.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 109.644 -179.794 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' C' ' 329' ' ' THR . 23.7 tp -150.08 133.07 16.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.287 -0.883 . . . . 1.0900000000000001 109.362 -179.998 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.6 126.44 34.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.3700000000000001 109.69 -179.803 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -124.14 116.48 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.937 . . . . 1.1499999999999999 109.333 179.709 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 2.1 ttt-85 -74.07 159.62 32.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 2.79 109.864 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 80.16 134.82 1.33 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.834 -1.306 . . . . 0.45000000000000001 109.834 179.643 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 58.5 ttt180 -81.04 -49.02 11.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -1.101 . . . . 3.1600000000000001 109.38 179.829 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.5 -51.09 71.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.441 179.936 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.07 85.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.351 -0.843 . . . . 3.54 109.299 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.3 t80 -55.3 -53.03 61.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.5 109.572 179.953 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.45 -34.45 35.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.821 . . . . 1.6599999999999999 109.816 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.71 -50.51 70.85 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 109.898 -179.473 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -60.75 -54.65 42.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.34000000000000002 109.241 -179.919 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.02 -34.41 29.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -0.797 . . . . 2.9399999999999999 109.501 179.856 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.29 -49.07 79.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.159 -0.963 . . . . 1.74 109.474 -179.918 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.261 -0.899 . . . . 1.0700000000000001 108.838 179.687 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.21 -53.31 59.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 1.22 109.711 179.73 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.7 -32.9 74.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -0.852 . . . . 1.72 110.066 -179.506 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.3 59.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 110.101 -179.643 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.89 -43.54 98.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 1.0800000000000001 109.731 -179.511 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.46 -35.33 73.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.562 179.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 350' ' ' LEU . 1.3 tt -65.7 -40.85 92.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.298 -0.876 . . . . 1.1499999999999999 109.429 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -62.19 -48.32 80.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.345 -0.847 . . . . 2.1400000000000001 108.869 179.745 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.4 68.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.498 -0.751 . . . . 1.4299999999999999 109.638 179.638 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.36 69.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 1.3 109.845 -179.74 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.189 -0.944 . . . . 1.4199999999999999 109.529 -179.865 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.285 0.564 . . . . 1.6100000000000001 109.544 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' D' ' 333' ' ' ARG . 51.4 m-85 -94.49 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.894 . . . . 0.96999999999999997 109.386 179.821 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.6 m-85 -138.13 -168.33 2.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.879 . . . . 0.59999999999999998 109.504 -179.871 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 19.6 p -153.19 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.1000000000000001 109.62 -179.786 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' D' ' 329' ' ' THR . 23.7 tp -150.05 133.12 16.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.359 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.63 126.41 34.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.271 -0.893 . . . . 1.3600000000000001 109.702 -179.833 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.7 mt -124.09 116.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.205 -0.934 . . . . 1.1699999999999999 109.365 179.704 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.514 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 2.1 ttt-85 -74.04 159.59 32.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.177 -0.952 . . . . 2.79 109.87 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 80.21 134.8 1.34 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.871 -1.292 . . . . 0.47999999999999998 109.871 179.664 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 58.5 ttt180 -81.03 -49.06 11.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -1.098 . . . . 3.2200000000000002 109.348 179.82 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.56 -50.94 71.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.477 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.31 -39.04 85.57 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 3.5499999999999998 109.281 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -55.35 -52.97 61.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.52000000000000002 109.582 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.48 -34.46 35.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 1.6799999999999999 109.795 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.68 -50.59 70.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.891 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -60.69 -54.66 42.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.33000000000000002 109.241 -179.905 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.0 -34.43 29.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.414 -0.804 . . . . 3.02 109.514 179.84 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.3 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.75 109.472 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.16 -34.78 75.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.349 -0.845 . . . . 1.0700000000000001 108.84 179.692 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.28 -53.24 60.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.421 -0.8 . . . . 1.21 109.685 179.762 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.69 -33.04 74.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.095 -179.557 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.5 -53.25 59.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.139 -0.976 . . . . 1.0600000000000001 110.101 -179.627 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.83 -43.63 98.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.913 . . . . 1.0800000000000001 109.703 -179.534 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.49 -35.23 73.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 1.9299999999999999 109.572 -179.974 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.3 tt -65.75 -40.97 92.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 1.1399999999999999 109.343 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 34.6 ttmt -62.1 -48.27 80.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 2.1899999999999999 108.923 179.764 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.47 68.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.534 -0.729 . . . . 1.4299999999999999 109.615 179.628 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.35 69.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 1.3100000000000001 109.867 -179.757 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.422 ' NE2' HD12 ' A' ' 350' ' ' LEU . 8.7 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 1.3999999999999999 109.473 -179.852 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.287 0.565 . . . . 2.1099999999999999 109.549 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 51.1 m-85 -94.46 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.884 . . . . 1.01 109.338 179.834 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -138.09 -168.32 2.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.57999999999999996 109.548 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 19.7 p -153.22 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 1.1599999999999999 109.612 -179.788 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 329' ' ' THR . 24.0 tp -150.1 133.01 16.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 1.1699999999999999 109.38 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.5 126.39 34.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.902 . . . . 1.8100000000000001 109.703 -179.826 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -124.12 116.43 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 1.1299999999999999 109.333 179.694 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.523 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.1 ttt-85 -74.0 159.64 32.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 2.8199999999999998 109.862 -179.856 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 80.07 134.83 1.31 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.89 -1.284 . . . . 0.45000000000000001 109.89 179.631 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 58.5 ttt180 -80.96 -49.1 11.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -1.1 . . . . 3.0800000000000001 109.381 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.52 -51.02 71.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 2.54 109.488 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.11 85.51 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.315 -0.866 . . . . 4.1100000000000003 109.299 -179.946 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' A' ' 329' ' ' THR . 42.1 t80 -55.29 -53.05 60.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.47 -0.769 . . . . 0.56999999999999995 109.517 179.977 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -51.42 -34.54 35.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 1.6599999999999999 109.815 -179.844 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.62 -50.52 70.92 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.245 -0.909 . . . . 1.29 109.981 -179.517 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -60.74 -54.67 42.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.914 . . . . 0.40000000000000002 109.223 -179.927 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.98 -34.37 28.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 3.8500000000000001 109.507 179.835 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.35 -49.06 79.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 1.78 109.418 -179.86 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.14 -34.82 75.6 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.312 -0.868 . . . . 1.1699999999999999 108.846 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.23 -53.26 60.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.469 -0.769 . . . . 1.2 109.713 179.742 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.65 -33.24 74.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -0.811 . . . . 2.1200000000000001 110.056 -179.544 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.31 59.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.142 -0.974 . . . . 1.0700000000000001 110.12 -179.65 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.88 -43.52 98.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 1.1399999999999999 109.731 -179.494 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -35.19 73.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.556 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.3 tt -65.81 -40.86 92.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.3799999999999999 109.381 -179.877 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 34.6 ttmt -62.17 -48.24 80.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 2.6800000000000002 108.888 179.768 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.09 -34.46 68.33 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.597 -0.689 . . . . 1.3400000000000001 109.63 179.598 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 1.3 109.852 -179.705 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.421 ' NE2' HD12 ' D' ' 350' ' ' LEU . 8.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 1.8 109.572 -179.913 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.27 0.557 . . . . 1.6699999999999999 109.506 . . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 51.3 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 1.01 109.374 179.791 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 69.8 m-85 -138.11 -168.29 2.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.63 109.504 -179.901 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 19.5 p -153.21 162.64 41.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 1.1299999999999999 109.615 -179.748 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 329' ' ' THR . 23.9 tp -150.03 133.11 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 109.361 179.992 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -86.61 126.31 34.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 109.744 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.06 116.53 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 1.1499999999999999 109.326 179.72 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 2.1 ttt-85 -74.08 159.66 32.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 2.77 109.861 -179.859 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 80.2 134.73 1.33 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.86 -1.296 . . . . 0.42999999999999999 109.86 179.6 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 58.5 ttt180 -81.01 -49.0 11.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 3.1200000000000001 109.388 179.805 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.58 -51.07 71.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.398 -0.814 . . . . 2.2200000000000002 109.416 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.1 85.47 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 3.5 109.23 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.1 t80 -55.3 -53.04 61.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.5 109.515 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.43 -34.51 35.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.779 -179.835 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.67 -50.56 70.67 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.166 -0.959 . . . . 1.1399999999999999 109.882 -179.476 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -60.72 -54.68 42.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.32000000000000001 109.213 -179.915 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.01 -34.4 29.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.365 -0.834 . . . . 2.96 109.483 179.879 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.32 -49.03 79.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 1.75 109.477 -179.912 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.15 -34.78 75.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.358 -0.839 . . . . 1.0800000000000001 108.846 179.683 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.27 -53.28 60.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.483 -0.76 . . . . 1.22 109.713 179.759 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.374 -0.829 . . . . 1.73 110.092 -179.542 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -53.25 59.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 110.077 -179.584 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.0 mt -60.83 -43.52 98.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 1.1100000000000001 109.747 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.53 -35.3 73.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -0.929 . . . . 1.9099999999999999 109.573 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' D' ' 350' ' ' LEU . 1.3 tt -65.62 -41.0 93.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.281 -0.887 . . . . 1.1699999999999999 109.417 -179.914 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.489 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -62.09 -48.31 80.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.842 . . . . 2.1499999999999999 108.942 179.734 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.06 -34.5 68.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.467 -0.771 . . . . 1.4399999999999999 109.627 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.37 69.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 1.3 109.84 -179.716 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.128 -0.983 . . . . 1.3999999999999999 109.476 -179.863 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.449 -0.574 . . . . 1.7 109.449 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 54.2 m-85 -93.28 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.355 -0.841 . . . . 1.04 109.468 179.955 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.8 m-85 -138.44 -163.97 1.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.65000000000000002 109.424 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 22.4 p -154.41 161.16 41.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.113 -0.992 . . . . 1.1399999999999999 109.698 -179.859 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.0 tp -149.01 132.93 17.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 1.0900000000000001 109.365 179.97 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 34.3 tt0 -85.66 134.33 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 1.3700000000000001 109.711 -179.921 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -123.93 119.96 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.915 . . . . 1.1499999999999999 109.464 179.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.69 45.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 2.79 109.756 -179.906 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.23 138.52 4.44 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.89 -1.284 . . . . 0.45000000000000001 109.89 179.626 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.53 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.9 ttp180 -81.22 -47.11 13.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -1.088 . . . . 3.1600000000000001 109.317 179.707 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 337' ' ' ARG . 16.4 pt-20 -58.52 -47.83 82.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 2.2200000000000002 109.383 179.896 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 336' ' ' GLU . 1.8 ttm180 -61.47 -39.95 92.75 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.409 -0.807 . . . . 3.54 109.496 179.797 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.2 t80 -54.9 -54.77 38.33 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.378 -0.826 . . . . 0.5 109.597 -179.895 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.65 -34.52 38.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -0.821 . . . . 1.6599999999999999 109.773 -179.823 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.89 -50.31 69.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.229 -179.514 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.78 -52.47 64.94 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.276 -0.89 . . . . 0.34000000000000002 109.338 -179.818 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.417 ' HA ' HD23 ' C' ' 330' ' ' LEU . 24.2 ttp180 -51.35 -37.11 46.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.364 -0.835 . . . . 2.9399999999999999 109.734 179.875 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 1.74 109.764 -179.72 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.15 -32.76 72.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 108.914 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -58.79 -54.81 42.92 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.419 -0.801 . . . . 1.22 109.386 179.53 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.32 -30.78 71.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.429 -0.794 . . . . 1.72 109.869 -179.916 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.08 -55.58 32.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 110.048 -179.54 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.04 -42.09 97.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -0.854 . . . . 1.0800000000000001 109.479 -179.737 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.16 -34.7 72.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 1.9099999999999999 109.507 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 17.1 tp -65.2 -42.04 93.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.833 . . . . 1.1499999999999999 109.235 179.862 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -50.17 73.72 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.768 0.794 . . . . 2.1400000000000001 108.881 179.519 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -30.3 67.76 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 1.4299999999999999 109.623 179.61 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.33 69.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 1.3 109.432 -179.764 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.403 ' NE2' HD12 ' B' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.866 . . . . 1.4199999999999999 109.379 179.722 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.519 -0.548 . . . . 1.6100000000000001 109.519 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -93.25 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.324 -0.86 . . . . 0.96999999999999997 109.498 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.41 -163.93 1.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.59999999999999998 109.389 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 22.3 p -154.57 161.09 41.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.1000000000000001 109.647 -179.896 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.2 tp -148.91 133.05 17.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.342 -179.938 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 34.3 tt0 -85.76 134.3 33.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.3600000000000001 109.684 -179.868 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -123.85 119.86 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 1.1699999999999999 109.531 179.851 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.7 45.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 2.79 109.743 -179.897 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.07 138.57 4.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.906 -1.277 . . . . 0.47999999999999998 109.906 179.67 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.0 ttp180 -81.22 -47.05 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -1.111 . . . . 3.2200000000000002 109.347 179.764 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.58 -47.72 83.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.21 109.393 179.858 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.59 -39.98 93.12 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.349 -0.844 . . . . 3.5499999999999998 109.395 179.874 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' O ' ' D' ' 329' ' ' THR . 36.8 t80 -54.88 -54.79 37.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 0.52000000000000002 109.546 -179.907 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.68 -34.42 38.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.6799999999999999 109.806 -179.783 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.94 -50.24 69.45 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.226 -0.921 . . . . 1.1499999999999999 110.204 -179.487 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -60.86 -52.44 65.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.955 . . . . 0.33000000000000002 109.37 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -51.42 -37.0 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 3.02 109.742 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.57 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.121 -0.987 . . . . 1.75 109.776 -179.806 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.14 -32.72 72.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 108.945 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -58.78 -54.78 43.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.381 -0.824 . . . . 1.21 109.344 179.494 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.48 -30.69 71.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.456 -0.778 . . . . 1.6899999999999999 109.828 -179.809 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.52 32.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 1.0600000000000001 109.995 -179.536 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -42.04 97.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 109.374 -179.619 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.17 -34.66 72.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 1.9299999999999999 109.524 179.889 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.456 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 17.1 tp -65.3 -42.0 93.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 1.1399999999999999 109.22 179.861 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -50.25 73.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 2.1899999999999999 108.859 179.486 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.3 67.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.691 -0.631 . . . . 1.4299999999999999 109.569 179.634 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.31 69.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.347 -0.846 . . . . 1.3100000000000001 109.322 -179.646 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.4 ' NE2' HD12 ' A' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.239 -0.913 . . . . 1.3999999999999999 109.439 179.702 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.467 -0.568 . . . . 2.1099999999999999 109.467 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -93.45 158.77 15.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 1.01 109.451 179.943 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.38 -164.0 1.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 0.57999999999999996 109.37 -179.827 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 22.5 p -154.44 161.15 41.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -0.988 . . . . 1.1599999999999999 109.71 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.3 tp -149.01 133.02 17.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 1.1699999999999999 109.333 179.975 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 34.4 tt0 -85.67 134.33 33.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.8100000000000001 109.745 -179.963 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -123.88 119.83 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 1.1299999999999999 109.494 179.879 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.08 146.72 45.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 2.8199999999999998 109.745 -179.945 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.0 138.52 4.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.961 -1.256 . . . . 0.45000000000000001 109.961 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.8 ttp180 -81.15 -47.11 13.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -1.088 . . . . 3.0800000000000001 109.377 179.696 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.51 -47.94 82.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.386 -0.821 . . . . 2.54 109.333 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.45 -39.88 92.46 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.399 -0.813 . . . . 4.1100000000000003 109.476 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' A' ' 329' ' ' THR . 36.6 t80 -54.98 -54.69 39.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.56999999999999995 109.544 -179.881 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -51.77 -34.44 39.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 1.6599999999999999 109.736 -179.781 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.93 -50.26 69.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.174 -0.953 . . . . 1.29 110.257 -179.511 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -60.89 -52.37 65.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 109.317 -179.876 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.409 ' HA ' HD23 ' A' ' 330' ' ' LEU . 24.3 ttp180 -51.46 -37.08 47.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.344 -0.847 . . . . 3.8500000000000001 109.726 179.909 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.46 77.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.78 109.788 -179.684 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.13 -32.8 72.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.251 -0.906 . . . . 1.1699999999999999 108.881 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.83 -54.67 44.48 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.437 -0.789 . . . . 1.2 109.381 179.641 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.36 -30.85 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.302 -0.874 . . . . 2.1200000000000001 109.851 -179.928 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.57 32.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 110.062 -179.571 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -41.94 97.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 109.493 -179.673 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.23 -34.67 72.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.243 -0.91 . . . . 2.0899999999999999 109.436 179.845 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.9 tp -65.29 -41.99 93.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 1.3799999999999999 109.2 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.18 73.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.851 . . . . 2.6800000000000002 108.802 179.541 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.24 67.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.576 -0.703 . . . . 1.3400000000000001 109.638 179.574 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.56 -29.42 70.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 1.3 109.369 -179.743 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' D' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.369 -0.832 . . . . 1.8 109.39 179.759 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.475 -0.565 . . . . 1.6699999999999999 109.475 . . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -93.34 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 1.01 109.424 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.7 m-85 -138.48 -163.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.63 109.39 -179.897 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 22.5 p -154.5 161.03 41.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.04 -1.037 . . . . 1.1299999999999999 109.724 -179.822 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -148.98 133.01 17.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.324 -0.86 . . . . 1.1000000000000001 109.362 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 34.2 tt0 -85.84 134.43 33.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.3700000000000001 109.587 -179.739 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.93 119.72 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.341 -0.849 . . . . 1.1499999999999999 109.482 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.1 146.72 45.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 2.77 109.722 -179.943 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.18 138.37 4.36 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.947 -1.261 . . . . 0.42999999999999999 109.947 179.644 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.9 ttp180 -81.06 -47.09 14.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.297 -1.12 . . . . 3.1200000000000001 109.371 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.59 -47.67 83.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 2.2200000000000002 109.372 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -61.69 -39.79 92.68 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.24 -0.912 . . . . 3.5 109.464 179.884 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 37.3 t80 -54.99 -54.75 38.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.368 -0.833 . . . . 0.5 109.627 -179.988 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.57 -34.52 37.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 1.6899999999999999 109.843 -179.892 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.88 -50.3 69.31 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.207 -0.933 . . . . 1.1399999999999999 110.208 -179.458 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -60.91 -52.37 65.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.32000000000000001 109.351 -179.771 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -51.37 -37.13 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.443 -0.785 . . . . 2.96 109.741 179.788 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.07 -49.56 77.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.167 -0.958 . . . . 1.75 109.732 -179.709 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.0 -32.85 72.42 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 108.962 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -58.8 -54.7 44.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.427 -0.796 . . . . 1.22 109.395 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.41 -30.83 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 1.73 109.849 -179.903 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.55 32.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 110.08 -179.569 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.23 -41.96 97.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.939 . . . . 1.1100000000000001 109.411 -179.667 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.2 -34.71 72.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.873 . . . . 1.9099999999999999 109.444 179.902 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.498 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 17.1 tp -65.3 -41.95 93.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.28 -0.887 . . . . 1.1699999999999999 109.159 179.929 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.22 73.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 2.1499999999999999 108.764 179.528 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.97 -30.12 67.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.639 -0.663 . . . . 1.4399999999999999 109.636 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.71 -29.35 69.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 1.3 109.302 -179.717 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.896 . . . . 1.3999999999999999 109.441 179.675 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.31 -0.626 . . . . 1.7 109.31 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 24.2 m-85 -93.83 155.96 16.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 1.04 109.834 -179.634 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.2 m-85 -138.75 -169.16 2.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.65000000000000002 109.324 179.892 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 25.0 p -154.01 156.65 37.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 1.1399999999999999 109.645 -179.798 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.7 133.64 18.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 1.0900000000000001 109.544 -179.869 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.04 34.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 1.3700000000000001 109.104 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 341' ' ' PHE . 44.2 mt -123.39 112.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 1.1499999999999999 109.687 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.21 145.74 46.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 2.79 109.371 179.807 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 96.67 136.78 9.12 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.721 -1.352 . . . . 0.45000000000000001 109.721 179.932 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.0 ttm180 -80.25 -56.45 4.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -1.079 . . . . 3.1600000000000001 109.528 179.99 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.31 -42.69 87.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.507 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -43.03 95.76 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.283 -0.886 . . . . 3.54 109.447 -179.971 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.83 -55.45 32.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.5 109.628 -179.948 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.26 -36.24 30.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.6599999999999999 109.75 -179.768 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.61 -48.45 77.28 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.058 -179.597 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 332' ' ' ILE . 24.7 m-85 -61.14 -55.97 26.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.34000000000000002 109.303 -179.878 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.48 -34.5 25.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.371 -0.831 . . . . 2.9399999999999999 109.495 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.1 -49.72 76.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.165 -0.959 . . . . 1.74 109.585 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.58 -34.33 75.43 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.863 . . . . 1.0700000000000001 108.94 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.36 -54.16 49.92 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.434 -0.791 . . . . 1.22 109.651 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.95 -33.46 75.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.496 -0.752 . . . . 1.72 110.083 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.47 57.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 110.087 -179.546 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.22 -42.59 98.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 1.0800000000000001 109.659 -179.607 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.12 -34.18 73.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 1.9099999999999999 109.716 -179.923 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 351' ' ' LYS . 7.2 tp -64.53 -47.49 78.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.898 . . . . 1.1499999999999999 109.673 -179.802 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.38 -45.48 94.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.785 . . . . 2.1400000000000001 109.19 -179.954 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.07 -30.6 64.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.6 -0.687 . . . . 1.4299999999999999 109.672 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.62 82.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 1.3 110.05 -179.578 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 1.4199999999999999 109.685 -179.703 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.183 -0.673 . . . . 1.6100000000000001 109.183 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 24.6 m-85 -93.83 156.02 16.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.237 -0.914 . . . . 0.96999999999999997 109.844 -179.715 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.3 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.59999999999999998 109.31 179.843 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.8 p -154.06 156.64 37.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.962 . . . . 1.1000000000000001 109.657 -179.78 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.68 133.54 18.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 1.1000000000000001 109.557 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.41 131.07 34.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 1.3600000000000001 109.188 179.784 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.466 HG22 ' CD2' ' B' ' 341' ' ' PHE . 44.7 mt -123.46 112.1 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 1.1699999999999999 109.65 -179.795 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.24 145.96 45.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.223 -0.923 . . . . 2.79 109.321 179.808 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 96.51 136.83 9.1 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.768 -1.333 . . . . 0.47999999999999998 109.768 179.924 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.0 ttm180 -80.34 -56.52 4.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -1.106 . . . . 3.2200000000000002 109.445 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.19 -43.01 87.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.342 -0.849 . . . . 2.21 109.469 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.69 -43.23 94.13 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.351 -0.843 . . . . 3.5499999999999998 109.485 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.401 ' HA ' HG23 ' B' ' 332' ' ' ILE . 64.8 t80 -55.79 -55.42 32.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.52000000000000002 109.638 -179.973 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -50.39 -36.14 31.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.277 -0.889 . . . . 1.6799999999999999 109.871 -179.774 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.51 -48.44 77.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.341 -0.849 . . . . 1.1499999999999999 110.104 -179.748 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.2 -55.89 27.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.184 -0.948 . . . . 0.33000000000000002 109.367 -179.87 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.49 -34.51 25.37 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.442 -0.787 . . . . 3.02 109.5 179.745 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.09 -49.61 76.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.186 -0.946 . . . . 1.75 109.647 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.7 -34.22 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.912 . . . . 1.0700000000000001 108.885 179.813 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.44 -54.1 50.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.503 -0.748 . . . . 1.21 109.643 179.659 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.04 -33.48 75.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 110.07 -179.51 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.47 57.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.275 -0.89 . . . . 1.0600000000000001 110.003 -179.527 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.16 -42.71 99.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.28 -0.888 . . . . 1.0800000000000001 109.591 -179.552 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.04 -34.22 73.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 1.9299999999999999 109.716 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.58 -47.37 78.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 109.71 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 350' ' ' LEU . 35.1 ttmt -61.44 -45.51 93.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.361 -0.837 . . . . 2.1899999999999999 109.205 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.49 64.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.476 -0.765 . . . . 1.4299999999999999 109.704 179.735 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.79 81.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.779 . . . . 1.3100000000000001 109.94 -179.56 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 1.3999999999999999 109.69 -179.679 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.262 -0.644 . . . . 2.1099999999999999 109.262 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 24.0 m-85 -93.89 155.74 17.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 1.01 109.876 -179.645 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.9 m-85 -138.53 -169.02 2.51 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.57999999999999996 109.352 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.8 p -154.13 156.56 37.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.038 -1.039 . . . . 1.1599999999999999 109.605 -179.785 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.61 133.63 18.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.374 -0.829 . . . . 1.1699999999999999 109.537 -179.815 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.06 34.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.234 -0.916 . . . . 1.8100000000000001 109.145 179.838 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.459 HG22 ' CD2' ' C' ' 341' ' ' PHE . 44.3 mt -123.43 112.02 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.949 . . . . 1.1299999999999999 109.697 -179.855 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.02 145.81 46.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 2.8199999999999998 109.372 179.724 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 96.63 136.8 9.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.68 -1.368 . . . . 0.45000000000000001 109.68 179.831 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.0 ttm180 -80.37 -56.39 4.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -1.124 . . . . 3.0800000000000001 109.509 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.21 -42.96 87.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.275 -0.89 . . . . 2.54 109.461 179.927 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.79 -43.18 94.54 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.252 -0.905 . . . . 4.1100000000000003 109.489 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.9 t80 -55.66 -55.5 31.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.56999999999999995 109.658 -179.966 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.4 -36.2 31.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 109.795 -179.739 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.42 -48.59 77.17 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.239 -0.913 . . . . 1.29 110.098 -179.714 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.459 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.4 m-85 -61.08 -56.07 25.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.40000000000000002 109.279 -179.825 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.36 -34.63 24.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.404 -0.81 . . . . 3.8500000000000001 109.509 179.743 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.96 -49.78 76.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.068 -1.02 . . . . 1.78 109.621 -179.92 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.52 -34.37 75.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.885 . . . . 1.1699999999999999 108.92 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.3 -54.14 50.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.2 109.718 179.693 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.0 -33.43 75.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 110.119 -179.556 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -53.54 56.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.94 -179.549 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 109.669 -179.535 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.05 -34.19 73.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.218 -0.926 . . . . 2.0899999999999999 109.73 -179.975 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 tp -64.57 -47.4 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 1.3799999999999999 109.657 -179.787 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' D' ' 350' ' ' LEU . 35.1 ttmt -61.44 -45.49 94.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 2.6800000000000002 109.171 -179.918 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.59 64.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.523 -0.736 . . . . 1.3400000000000001 109.613 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.38 -44.74 82.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 1.3 109.952 -179.489 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 1.8 109.682 -179.696 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.179 -0.674 . . . . 1.6699999999999999 109.179 . . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 24.3 m-85 -93.94 155.97 16.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.205 -0.934 . . . . 1.01 109.703 -179.678 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.2 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.353 -0.842 . . . . 0.63 109.337 179.816 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -154.04 156.77 37.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.129 -0.982 . . . . 1.1299999999999999 109.657 -179.864 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.74 133.55 17.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 1.1000000000000001 109.561 -179.753 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.53 130.94 34.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 1.3700000000000001 109.135 179.868 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' D' ' 341' ' ' PHE . 44.0 mt -123.29 112.04 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.1499999999999999 109.683 -179.813 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 145.85 46.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 2.77 109.41 179.755 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.64 136.7 9.08 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.674 -1.37 . . . . 0.42999999999999999 109.674 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.0 ttm180 -80.29 -56.34 4.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 3.1200000000000001 109.569 179.88 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.29 -42.91 87.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 2.2200000000000002 109.42 179.951 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.91 -43.07 95.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.246 -0.908 . . . . 3.5 109.467 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.404 ' HA ' HG23 ' D' ' 332' ' ' ILE . 64.5 t80 -55.91 -55.3 34.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.5 109.677 -179.969 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.33 -36.22 31.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 109.777 -179.837 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.59 -48.46 77.28 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 110.041 -179.592 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CD2' HG22 ' D' ' 332' ' ' ILE . 24.3 m-85 -61.1 -56.02 25.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.187 -0.945 . . . . 0.32000000000000001 109.324 -179.834 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.42 -34.56 24.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.443 -0.785 . . . . 2.96 109.446 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.04 -49.74 76.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.112 -0.992 . . . . 1.75 109.547 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.57 -34.42 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 108.938 179.794 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.27 -54.18 49.8 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -0.789 . . . . 1.22 109.684 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.94 -33.4 75.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.368 -0.832 . . . . 1.73 110.096 -179.569 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.5 57.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0700000000000001 110.038 -179.559 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.2 -42.55 98.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 1.1100000000000001 109.671 -179.573 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.19 -34.12 73.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.695 -179.922 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' C' ' 351' ' ' LYS . 7.3 tp -64.68 -47.39 78.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 1.1699999999999999 109.676 -179.776 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -61.32 -45.53 94.07 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.438 -0.789 . . . . 2.1499999999999999 109.176 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.19 -30.5 64.58 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.521 -0.737 . . . . 1.4399999999999999 109.649 179.836 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.74 82.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 1.3 110.004 -179.599 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 1.3999999999999999 109.778 -179.785 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.561 -0.533 . . . . 1.7 109.561 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -92.92 155.08 17.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 1.04 109.449 179.874 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 89.1 m-85 -138.66 -167.46 2.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.291 -0.881 . . . . 0.65000000000000002 109.711 -179.717 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.3 p -152.74 157.41 40.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.1399999999999999 109.384 -179.865 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 11.0 tp -149.48 132.93 16.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 1.0900000000000001 109.696 -179.799 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.347 -0.846 . . . . 1.3700000000000001 109.111 179.682 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.77 113.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.16 -0.962 . . . . 1.1499999999999999 109.889 -179.742 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -73.98 149.62 41.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 2.79 109.563 179.746 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.16 136.7 9.2 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.836 -1.306 . . . . 0.45000000000000001 109.836 179.638 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.9 ttt180 -77.8 -61.96 1.83 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.324 -1.104 . . . . 3.1600000000000001 109.37 179.787 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -39.58 78.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.282 179.802 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.1 87.43 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.263 -0.898 . . . . 3.54 109.577 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.17 -55.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.448 -0.782 . . . . 0.5 109.713 -179.801 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.0 -35.93 36.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 109.974 -179.717 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.5 -49.61 72.9 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.316 -179.326 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.74 -49.75 76.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.151 -0.968 . . . . 0.34000000000000002 109.449 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.51 -41.96 61.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.279 -0.888 . . . . 2.9399999999999999 109.82 179.889 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -43.38 98.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.172 -0.955 . . . . 1.74 110.15 -179.55 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.04 -42.46 99.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.092 -1.005 . . . . 1.0700000000000001 109.475 -179.733 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.4 -50.79 72.43 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.22 109.549 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.14 -30.17 70.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.21 -0.931 . . . . 1.72 109.786 -179.936 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.71 52.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 1.0700000000000001 109.994 -179.651 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.0 -42.31 98.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.662 -179.566 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.66 -36.89 77.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.731 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.6 tt -64.35 -44.73 90.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 1.1499999999999999 109.262 -179.815 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.38 -37.2 82.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.402 -0.811 . . . . 2.1400000000000001 108.82 179.613 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -57.11 -32.69 66.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.513 -0.742 . . . . 1.4299999999999999 109.285 179.568 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.31 66.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.323 -0.861 . . . . 1.3 109.417 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.534 179.942 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.55 -0.537 . . . . 1.6100000000000001 109.55 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -92.99 154.96 17.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.96999999999999997 109.39 179.896 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 88.6 m-85 -138.57 -167.49 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.59999999999999998 109.645 -179.755 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -152.71 157.36 40.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 1.1000000000000001 109.339 -179.794 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' D' ' 329' ' ' THR . 11.0 tp -149.44 133.0 16.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.237 -0.915 . . . . 1.1000000000000001 109.727 -179.862 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -86.63 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 1.3600000000000001 109.007 179.695 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' B' ' 341' ' ' PHE . 45.2 mt -123.88 113.94 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 1.1699999999999999 109.823 -179.791 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -74.01 149.65 41.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 2.79 109.507 179.765 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.08 136.63 9.16 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.973 -1.251 . . . . 0.47999999999999998 109.973 179.679 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.66 -62.07 1.78 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.129 . . . . 3.2200000000000002 109.316 179.837 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -39.47 78.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 2.21 109.298 179.935 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.14 87.28 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.323 -0.861 . . . . 3.5499999999999998 109.617 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.1 -55.87 26.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.825 . . . . 0.52000000000000002 109.703 -179.833 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.94 -35.97 36.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.6799999999999999 110.019 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.74 72.7 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.176 -0.953 . . . . 1.1499999999999999 110.303 -179.344 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' B' ' 332' ' ' ILE . 32.0 m-85 -60.83 -49.6 76.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.33000000000000002 109.416 -179.655 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.52 -41.99 61.42 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.36 -0.837 . . . . 3.02 109.846 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.14 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.882 . . . . 1.75 110.081 -179.458 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.97 -42.59 99.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.08 -1.013 . . . . 1.0700000000000001 109.514 -179.772 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.21 -50.88 71.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.32 -0.863 . . . . 1.21 109.574 179.849 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.34 -30.03 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 1.6899999999999999 109.655 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.69 53.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.0600000000000001 110.074 -179.691 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.04 -42.29 98.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 1.0800000000000001 109.599 -179.597 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.65 -36.76 77.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.398 -0.814 . . . . 1.9299999999999999 109.838 -179.885 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.6 tt -64.36 -44.73 90.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 1.1399999999999999 109.316 -179.938 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.41 -37.26 82.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 2.1899999999999999 108.725 179.625 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -57.1 -32.67 66.54 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.526 -0.734 . . . . 1.4299999999999999 109.311 179.563 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.41 66.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 1.3100000000000001 109.479 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.857 . . . . 1.3999999999999999 109.635 179.899 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.282 0.563 . . . . 2.1099999999999999 109.514 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -92.96 155.03 17.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.185 -0.947 . . . . 1.01 109.322 179.962 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 89.0 m-85 -138.72 -167.52 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -0.848 . . . . 0.57999999999999996 109.636 -179.75 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.4 p -152.76 157.26 40.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 1.1599999999999999 109.447 -179.806 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.1 tp -149.35 132.97 16.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 1.1699999999999999 109.678 -179.744 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.82 34.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.8100000000000001 109.059 179.678 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.85 113.9 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 1.1299999999999999 109.835 -179.753 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.95 149.74 41.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.8199999999999998 109.518 179.732 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.03 136.63 9.15 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.905 -1.278 . . . . 0.45000000000000001 109.905 179.583 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt180 -77.65 -61.9 1.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -1.124 . . . . 3.0800000000000001 109.503 179.759 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -39.59 79.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 2.54 109.267 179.813 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -47.18 87.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.596 179.992 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -54.92 -55.91 25.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.34 -0.85 . . . . 0.56999999999999995 109.777 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.91 37.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.979 -179.67 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.78 72.55 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.16 -0.962 . . . . 1.29 110.293 -179.42 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -60.78 -49.61 76.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.42 -179.646 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.401 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 8.1 ttm180 -51.61 -41.95 61.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -0.889 . . . . 3.8500000000000001 109.787 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.12 -43.39 98.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 1.78 110.144 -179.57 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.09 -42.53 99.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.213 -0.929 . . . . 1.1699999999999999 109.421 -179.681 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -50.78 72.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 1.2 109.606 179.883 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -62.34 -30.09 70.92 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.385 -0.822 . . . . 2.1200000000000001 109.695 -179.843 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.66 53.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.253 -0.905 . . . . 1.0700000000000001 110.016 -179.649 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.0 -42.29 98.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 109.695 -179.642 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.61 -36.96 77.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 2.0899999999999999 109.749 -179.863 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.5 tt -64.36 -44.76 90.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 1.3799999999999999 109.261 -179.817 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.435 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 16.0 ttmm -61.37 -37.22 82.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 108.75 179.594 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -57.03 -32.68 66.43 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.471 -0.768 . . . . 1.3400000000000001 109.331 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.26 66.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.194 -0.941 . . . . 1.3 109.439 179.99 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 1.8 109.515 179.911 . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.511 -0.552 . . . . 1.6699999999999999 109.511 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -93.07 154.98 17.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -0.966 . . . . 1.01 109.376 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.54 -167.55 2.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.63 109.704 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.5 p -152.63 157.47 41.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 1.1299999999999999 109.447 -179.87 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.53 132.92 16.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.942 . . . . 1.1000000000000001 109.686 -179.817 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.53 129.97 34.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.81 . . . . 1.3700000000000001 109.071 179.629 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' D' ' 341' ' ' PHE . 45.2 mt -123.93 113.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 1.1499999999999999 109.826 -179.743 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.99 149.66 41.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.821 . . . . 2.77 109.475 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 136.68 9.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.911 -1.276 . . . . 0.42999999999999999 109.911 179.565 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.9 ttt180 -77.71 -62.02 1.8 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -1.161 . . . . 3.1200000000000001 109.375 179.822 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -39.45 78.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.852 . . . . 2.2200000000000002 109.304 179.89 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -47.05 87.66 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.238 -0.914 . . . . 3.5 109.614 179.921 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.1 -55.84 26.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.429 -0.795 . . . . 0.5 109.691 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.89 37.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 110.009 -179.661 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.41 -49.72 72.65 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.111 -0.993 . . . . 1.1399999999999999 110.308 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.403 ' HB2' HD11 ' D' ' 332' ' ' ILE . 32.3 m-85 -60.82 -49.54 77.07 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.241 -0.912 . . . . 0.32000000000000001 109.492 -179.709 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.54 -42.01 61.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.87 . . . . 2.96 109.835 179.771 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.11 -43.43 98.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.211 -0.93 . . . . 1.75 110.095 -179.501 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.524 -179.775 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.23 -50.86 72.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.22 109.553 179.928 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.27 -30.1 70.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 1.73 109.674 -179.78 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.31 -53.81 51.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 110.042 -179.676 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.01 -42.33 98.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.26 -0.9 . . . . 1.1100000000000001 109.654 -179.551 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.63 -36.82 77.11 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 1.9099999999999999 109.783 -179.899 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.5 tt -64.34 -44.73 90.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 1.1699999999999999 109.219 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.569 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 15.9 ttmm -61.41 -37.21 82.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.234 -0.916 . . . . 2.1499999999999999 108.773 179.597 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -57.14 -32.66 66.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.488 -0.757 . . . . 1.4399999999999999 109.284 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.39 66.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 1.3 109.434 179.952 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.3999999999999999 109.586 179.935 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.344 -0.613 . . . . 1.7 109.344 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.426 ' HB3' ' NE2' ' C' ' 331' ' ' GLN . 70.1 m-85 -93.45 158.4 15.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.911 . . . . 1.04 109.515 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 98.6 m-85 -138.8 -171.33 3.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.224 -0.923 . . . . 0.65000000000000002 109.369 179.921 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 35.2 p -154.36 152.88 30.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 109.517 -179.883 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' C' ' 342' ' ' ARG . 12.8 tp -147.57 133.18 18.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.918 . . . . 1.0900000000000001 109.464 -179.788 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 35.0 tt0 -85.88 135.03 33.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -0.849 . . . . 1.3700000000000001 109.465 -179.917 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' A' ' 341' ' ' PHE . 35.9 mt -123.42 113.22 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 1.1499999999999999 109.379 179.843 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 141.03 46.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.301 -0.874 . . . . 2.79 109.482 -179.937 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.92 10.55 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.788 -1.325 . . . . 0.45000000000000001 109.788 179.922 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -75.59 -64.24 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -1.171 . . . . 3.1600000000000001 109.5 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.42 -35.95 70.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 2.2200000000000002 109.131 179.898 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.99 -47.54 82.69 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.41 -0.806 . . . . 3.54 109.445 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.537 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.9 t80 -56.26 -55.7 30.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 0.5 109.624 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.91 -37.95 54.43 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.418 -0.801 . . . . 1.6599999999999999 110.264 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.06 -47.68 81.89 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 110.34 -179.162 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CD2' HG22 ' A' ' 332' ' ' ILE . 25.4 m-85 -61.81 -49.43 76.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.34000000000000002 109.451 -179.588 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.37 -37.35 47.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.371 -0.831 . . . . 2.9399999999999999 109.857 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.4 -50.98 71.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.74 110.013 -179.558 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.99 -33.7 73.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.181 -0.949 . . . . 1.0700000000000001 108.996 179.962 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -59.41 -55.67 31.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 1.22 109.512 179.633 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.84 -28.19 69.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.72 109.836 -179.712 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.28 -57.75 11.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.88 . . . . 1.0700000000000001 109.927 -179.642 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.61 -37.43 81.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 109.409 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.05 -36.27 76.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.181 -0.949 . . . . 1.9099999999999999 109.506 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.24 -43.41 94.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 1.1499999999999999 109.469 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.52 -47.07 87.25 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.773 . . . . 2.1400000000000001 109.079 179.896 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.22 -29.67 65.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.783 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.7 90.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.893 . . . . 1.3 110.003 -179.281 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 1.4199999999999999 109.771 -179.83 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.363 -0.606 . . . . 1.6100000000000001 109.363 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -93.49 158.47 15.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.96999999999999997 109.494 -179.91 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.89 -171.5 3.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.59999999999999998 109.393 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.552 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 34.9 p -154.18 153.15 31.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.43 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -147.7 133.12 18.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.416 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 35.1 tt0 -85.87 135.14 33.82 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.31 -0.869 . . . . 1.3600000000000001 109.501 179.924 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' B' ' 341' ' ' PHE . 36.3 mt -123.57 113.29 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.355 179.83 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 140.98 46.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.428 -0.795 . . . . 2.79 109.52 -179.942 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.46 139.9 10.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.757 -1.337 . . . . 0.47999999999999998 109.757 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -75.51 -64.34 1.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 3.2200000000000002 109.523 179.848 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.26 -36.12 70.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.854 . . . . 2.21 109.125 179.885 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.439 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.89 -47.66 82.13 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 3.5499999999999998 109.461 179.907 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.4 t80 -56.1 -55.82 28.38 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.474 -0.766 . . . . 0.52000000000000002 109.655 179.897 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.75 -38.11 54.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 1.6799999999999999 110.234 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.04 -47.69 81.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.123 -0.986 . . . . 1.1499999999999999 110.297 -179.042 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.537 ' CD2' HG22 ' B' ' 332' ' ' ILE . 25.3 m-85 -61.74 -49.39 76.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.33000000000000002 109.54 -179.635 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.33 -37.46 47.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.382 -0.824 . . . . 3.02 109.921 179.961 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.2 -51.22 70.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.143 -0.973 . . . . 1.75 110.038 -179.646 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.92 -33.65 73.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 1.0700000000000001 109.01 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -59.41 -55.79 30.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.5 -0.75 . . . . 1.21 109.496 179.658 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.62 -28.3 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.6899999999999999 109.857 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.31 -57.63 11.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.943 . . . . 1.0600000000000001 109.975 -179.606 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.76 -37.3 81.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.372 -179.835 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.06 -36.39 77.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.9299999999999999 109.389 179.746 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.22 -43.41 95.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 1.1399999999999999 109.524 -180.0 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.48 -47.16 86.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.382 -0.824 . . . . 2.1899999999999999 109.022 179.858 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.12 -29.72 65.74 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.415 0.626 . . . . 1.4299999999999999 109.865 179.771 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.8 91.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.266 -0.896 . . . . 1.3100000000000001 110.024 -179.229 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.3999999999999999 109.714 -179.774 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.298 -0.63 . . . . 2.1099999999999999 109.298 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -93.3 158.45 15.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.27 -0.894 . . . . 1.01 109.544 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.89 -171.43 3.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.57999999999999996 109.412 179.885 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 34.9 p -154.23 152.92 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.938 . . . . 1.1599999999999999 109.543 -179.922 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.8 tp -147.48 133.25 18.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 1.1699999999999999 109.381 -179.715 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 35.0 tt0 -86.07 135.05 33.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 1.8100000000000001 109.48 179.986 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' C' ' 341' ' ' PHE . 35.8 mt -123.44 113.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.138 -0.976 . . . . 1.1299999999999999 109.403 179.815 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 141.0 46.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.377 -0.827 . . . . 2.8199999999999998 109.499 -179.915 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.84 10.51 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.756 -1.338 . . . . 0.45000000000000001 109.756 179.871 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.467 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -75.46 -64.27 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -1.047 . . . . 3.0800000000000001 109.545 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.33 -35.95 70.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.877 . . . . 2.54 109.208 179.86 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.44 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.61 82.45 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 4.1100000000000003 109.405 179.874 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.9 t80 -56.18 -55.72 29.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.478 -0.764 . . . . 0.56999999999999995 109.621 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.01 -37.86 54.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.39 -0.819 . . . . 1.6599999999999999 110.208 -179.63 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.07 -47.64 82.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.061 -1.024 . . . . 1.29 110.45 -179.173 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.539 ' CD2' HG22 ' C' ' 332' ' ' ILE . 25.2 m-85 -61.85 -49.26 76.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 0.40000000000000002 109.515 -179.679 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 330' ' ' LEU . 26.1 ttp180 -51.45 -37.44 48.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 3.8500000000000001 109.79 179.993 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.36 -50.98 71.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.134 -0.979 . . . . 1.78 110.006 -179.529 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.0 -33.76 73.75 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.934 . . . . 1.1699999999999999 108.955 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.36 -55.61 32.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.2 109.589 179.64 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.91 -28.11 69.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.427 -0.795 . . . . 2.1200000000000001 109.865 -179.759 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.65 11.87 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 1.0700000000000001 109.911 -179.653 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.79 -37.34 81.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 1.1399999999999999 109.372 -179.74 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.01 -36.37 77.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.342 -0.849 . . . . 2.0899999999999999 109.429 179.769 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.478 HD23 ' NE2' ' D' ' 354' ' ' GLN . 20.4 tp -64.23 -43.39 95.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.292 -0.88 . . . . 1.3799999999999999 109.458 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.23 86.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.395 -0.816 . . . . 2.6800000000000002 109.021 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.05 -29.64 65.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.891 179.707 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.6 90.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.311 -0.868 . . . . 1.3 110.067 -179.267 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 1.8 109.741 -179.854 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.357 -0.609 . . . . 1.6699999999999999 109.357 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -93.37 158.46 15.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.313 -0.867 . . . . 1.01 109.539 -179.969 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.92 -171.4 3.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.195 -0.941 . . . . 0.63 109.437 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 34.8 p -154.26 153.01 30.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.1299999999999999 109.427 -179.87 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.59 133.14 18.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 1.1000000000000001 109.515 -179.855 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.0 tt0 -85.97 135.11 33.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 1.3700000000000001 109.429 -179.941 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.54 HG22 ' CD2' ' D' ' 341' ' ' PHE . 35.9 mt -123.53 113.37 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 1.1499999999999999 109.315 179.86 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 141.0 46.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.341 -0.849 . . . . 2.77 109.501 -179.957 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.5 139.83 10.47 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.765 -1.334 . . . . 0.42999999999999999 109.765 179.856 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -75.45 -64.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 109.458 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.32 -35.95 70.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.262 -0.899 . . . . 2.2200000000000002 109.157 179.97 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.436 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.64 82.34 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.311 -0.868 . . . . 3.5 109.366 179.844 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.552 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.3 t80 -56.21 -55.75 29.41 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.438 -0.789 . . . . 0.5 109.579 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.86 -38.04 54.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.415 -0.803 . . . . 1.6899999999999999 110.247 -179.651 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.096 -1.002 . . . . 1.1399999999999999 110.296 -179.05 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.54 ' CD2' HG22 ' D' ' 332' ' ' ILE . 25.2 m-85 -61.84 -49.38 76.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.131 -0.98 . . . . 0.32000000000000001 109.491 -179.632 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -51.38 -37.43 48.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 2.96 109.854 179.99 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.3 -51.21 70.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 1.75 109.884 -179.535 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.82 -33.79 73.56 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.973 . . . . 1.0800000000000001 108.99 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -59.33 -55.78 30.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.504 -0.748 . . . . 1.22 109.52 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.79 -28.13 69.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 1.73 109.897 -179.749 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.38 -57.6 12.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 1.0700000000000001 109.973 -179.673 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -37.34 81.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.1100000000000001 109.333 -179.822 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.03 -36.32 77.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 1.9099999999999999 109.484 179.77 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -64.41 -43.3 94.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 1.1699999999999999 109.415 -179.888 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.06 87.35 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.362 -0.836 . . . . 2.1499999999999999 109.07 179.82 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.32 -29.62 66.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 1.4399999999999999 109.799 179.775 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.73 90.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 1.3 109.991 -179.291 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.478 ' NE2' HD23 ' C' ' 350' ' ' LEU . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.085 -1.009 . . . . 1.3999999999999999 109.744 -179.818 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.3 -0.63 . . . . 1.7 109.3 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.19 152.14 18.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.16 -0.963 . . . . 1.04 109.66 -179.961 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.3 m-85 -141.23 -174.88 4.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.495 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.2 p -152.09 158.91 43.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 1.1399999999999999 109.36 -179.91 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.13 132.78 16.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 1.0900000000000001 109.548 -179.65 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 15.8 tt0 -85.96 129.75 34.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 1.3700000000000001 109.381 179.825 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.81 116.92 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 1.1499999999999999 109.646 -179.956 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.28 148.94 40.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.883 . . . . 2.79 109.534 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.51 136.26 7.44 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.726 -1.35 . . . . 0.45000000000000001 109.726 179.622 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 15.5 ttm180 -81.93 -52.11 7.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.417 -1.049 . . . . 3.1600000000000001 109.704 179.931 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.16 -46.53 85.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.828 . . . . 2.2200000000000002 109.576 -179.968 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.67 96.32 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.249 -0.907 . . . . 3.54 109.624 -179.693 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.3 t80 -55.22 -55.01 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.46 -0.775 . . . . 0.5 109.868 -179.61 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -51.21 -37.61 47.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.892 . . . . 1.6599999999999999 110.011 -179.491 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.03 -48.33 79.23 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.21 -0.932 . . . . 1.1499999999999999 110.357 -179.273 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.64 -49.14 78.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.34000000000000002 109.392 -179.664 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.76 -43.39 62.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 2.9399999999999999 109.829 -179.957 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.38 -40.75 91.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.267 -0.896 . . . . 1.74 109.998 -179.55 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 109.42 -179.805 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -58.21 -49.85 75.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 1.22 109.642 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 1.72 109.881 -179.656 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.78 29.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 110.105 -179.583 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.65 -39.11 87.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.863 . . . . 1.0800000000000001 109.611 -179.535 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.82 -38.02 80.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.351 -0.843 . . . . 1.9099999999999999 109.627 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 350' ' ' LEU . 1.5 tt -64.8 -39.9 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.303 -0.873 . . . . 1.1499999999999999 109.311 -179.732 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.424 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -60.46 -48.02 83.59 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.609 -0.886 . . . . 2.1400000000000001 108.609 179.521 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -29.88 64.82 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.731 -0.606 . . . . 1.4299999999999999 109.372 179.423 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.45 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.447 -0.783 . . . . 1.3 109.57 -179.737 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.4199999999999999 109.331 179.746 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 1.6100000000000001 109.334 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -95.17 152.35 18.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -0.97 . . . . 0.96999999999999997 109.587 -179.962 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.0 m-85 -141.36 -174.81 4.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.59999999999999998 109.508 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.2 p -152.1 158.93 43.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.137 -0.977 . . . . 1.1000000000000001 109.316 -179.831 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.18 132.81 16.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.176 -0.952 . . . . 1.1000000000000001 109.644 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 15.9 tt0 -86.05 129.68 34.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.3600000000000001 109.289 179.947 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.86 117.12 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -0.93 . . . . 1.1699999999999999 109.578 179.991 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.52 148.96 40.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 2.79 109.444 179.873 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.45 136.07 7.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.765 -1.334 . . . . 0.47999999999999998 109.765 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 15.7 ttm180 -81.78 -52.13 7.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.65 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.37 -46.22 86.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.21 109.642 -179.884 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.03 -41.61 96.89 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.302 -0.874 . . . . 3.5499999999999998 109.609 -179.762 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.6 t80 -55.21 -55.11 35.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.421 -0.8 . . . . 0.52000000000000002 109.883 -179.645 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -51.06 -37.63 46.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -0.856 . . . . 1.6799999999999999 110.093 -179.551 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.12 -48.2 79.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.142 -0.974 . . . . 1.1499999999999999 110.347 -179.263 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.76 -49.03 79.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.176 -0.952 . . . . 0.33000000000000002 109.48 -179.644 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.77 -43.41 62.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.369 -0.832 . . . . 3.02 109.796 179.972 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.23 -40.89 91.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 1.75 110.006 -179.62 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.09 -43.92 97.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.306 -0.871 . . . . 1.0700000000000001 109.448 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.15 -49.8 75.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.357 -0.839 . . . . 1.21 109.764 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.5 -31.15 71.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.917 . . . . 1.6899999999999999 109.914 -179.786 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.43 -55.75 29.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 110.105 -179.666 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.69 -39.07 87.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 109.536 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.84 -37.91 80.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.328 -0.858 . . . . 1.9299999999999999 109.689 179.922 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.5 tt -64.85 -39.92 94.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.1399999999999999 109.35 -179.807 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -48.09 83.24 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.576 -0.898 . . . . 2.1899999999999999 108.576 179.539 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.91 64.75 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.335 -0.617 . . . . 1.4299999999999999 109.335 179.457 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.37 74.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 1.3100000000000001 109.51 -179.697 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' A' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 1.3999999999999999 109.324 179.787 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.316 -0.624 . . . . 2.1099999999999999 109.316 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.2 152.44 18.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.154 -0.966 . . . . 1.01 109.541 -179.904 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -141.38 -174.88 4.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.2 -0.938 . . . . 0.57999999999999996 109.475 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.515 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.1 p -152.11 159.01 43.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 109.307 -179.908 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.26 132.74 16.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.256 -0.902 . . . . 1.1699999999999999 109.561 -179.684 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -85.96 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 1.8100000000000001 109.397 179.824 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.85 117.04 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.167 -0.958 . . . . 1.1299999999999999 109.561 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.37 148.93 40.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 2.8199999999999998 109.494 179.778 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.44 7.51 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.7 -1.36 . . . . 0.45000000000000001 109.7 179.658 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 15.5 ttm180 -82.16 -52.07 7.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -1.133 . . . . 3.0800000000000001 109.656 179.928 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.32 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.895 . . . . 2.54 109.592 -179.942 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.255 -0.903 . . . . 4.1100000000000003 109.738 -179.8 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.3 t80 -55.25 -55.02 36.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.745 . . . . 0.56999999999999995 109.913 -179.634 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.06 -37.66 46.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 110.029 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.19 -48.27 79.05 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.179 -0.951 . . . . 1.29 110.269 -179.147 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.67 -49.09 78.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.40000000000000002 109.448 -179.637 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.55 -43.6 62.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.374 -0.829 . . . . 3.8500000000000001 109.841 179.931 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.22 -40.89 91.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -0.907 . . . . 1.78 109.966 -179.464 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.13 -43.83 97.97 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.26 -0.9 . . . . 1.1699999999999999 109.455 -179.726 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 1.2 109.671 179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.43 -31.32 72.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.303 -0.873 . . . . 2.1200000000000001 109.858 -179.68 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 110.085 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.64 -39.12 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.319 -0.863 . . . . 1.1399999999999999 109.581 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.78 -38.07 80.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.26 -0.9 . . . . 2.0899999999999999 109.676 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.53 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.4 tt -64.71 -39.97 94.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.226 -0.922 . . . . 1.3799999999999999 109.367 -179.777 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.48 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.11 83.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 2.6800000000000002 108.644 179.497 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -29.88 64.63 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.407 0.622 . . . . 1.3400000000000001 109.373 179.395 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.34 73.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 1.3 109.491 -179.615 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.8 109.314 179.812 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.328 -0.619 . . . . 1.6699999999999999 109.328 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -95.13 152.26 18.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.984 . . . . 1.01 109.564 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -141.32 -174.85 4.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.872 . . . . 0.63 109.402 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.9 p -152.13 158.88 43.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -0.934 . . . . 1.1299999999999999 109.265 -179.849 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -149.11 132.83 16.89 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 1.1000000000000001 109.656 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 15.8 tt0 -86.06 129.92 34.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 1.3700000000000001 109.332 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.1 mt -123.88 116.88 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.142 -0.974 . . . . 1.1499999999999999 109.594 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.21 149.04 41.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.349 -0.844 . . . . 2.77 109.529 179.712 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.32 136.31 7.37 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.801 -1.32 . . . . 0.42999999999999999 109.801 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.583 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 15.6 ttm180 -82.04 -52.08 7.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.256 -1.144 . . . . 3.1200000000000001 109.584 179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.32 -46.44 86.18 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.935 . . . . 2.2200000000000002 109.567 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.62 96.23 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.259 -0.9 . . . . 3.5 109.7 -179.747 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -55.11 -55.09 34.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.413 -0.804 . . . . 0.5 109.911 -179.693 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.16 -37.65 47.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 1.6899999999999999 110.022 -179.502 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.07 -48.32 79.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.134 -0.979 . . . . 1.1399999999999999 110.263 -179.215 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.75 -48.91 79.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.122 -0.986 . . . . 0.32000000000000001 109.5 -179.594 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -51.81 -43.46 63.11 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.401 -0.812 . . . . 2.96 109.817 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.24 -40.88 91.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.75 109.957 -179.577 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.15 -43.8 98.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 109.44 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.17 -49.93 75.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 1.22 109.648 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.39 -31.23 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.835 . . . . 1.73 109.921 -179.727 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.48 -55.71 30.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 1.0700000000000001 110.036 -179.558 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.62 -39.16 87.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 1.1100000000000001 109.61 -179.548 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.82 -37.98 80.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 1.9099999999999999 109.654 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.4 tt -64.78 -39.9 94.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 1.1699999999999999 109.301 -179.71 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.15 82.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 2.1499999999999999 108.659 179.487 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -29.86 64.77 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.701 -0.625 . . . . 1.4399999999999999 109.356 179.452 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.34 73.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 1.3 109.548 -179.718 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.3999999999999999 109.364 179.723 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.415 -0.587 . . . . 1.7 109.415 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.521 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 17.9 m-85 -95.07 150.13 20.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 1.04 109.65 -179.905 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 58.6 m-85 -140.65 138.49 34.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 0.65000000000000002 109.091 179.245 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.27 170.99 9.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 1.1399999999999999 109.904 -179.536 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.425 ' HB2' HD13 ' C' ' 332' ' ' ILE . 16.2 tp -149.83 131.03 14.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.43 -0.794 . . . . 1.0900000000000001 109.412 179.774 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.65 124.16 32.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.177 -0.952 . . . . 1.3700000000000001 109.561 -179.842 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' C' ' 330' ' ' LEU . 25.4 mt -124.16 113.9 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 1.1499999999999999 109.612 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 0.2 OUTLIER -73.57 148.17 43.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 2.79 109.621 179.709 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.02 134.53 7.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.928 -1.269 . . . . 0.45000000000000001 109.928 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -83.54 -51.5 7.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.309 -1.112 . . . . 3.1600000000000001 109.354 179.81 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.46 85.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.221 179.823 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.506 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -61.51 -38.28 86.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.236 -0.915 . . . . 3.54 109.181 179.796 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -53.95 -52.93 59.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.418 -0.801 . . . . 0.5 109.194 179.883 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -51.77 -35.39 43.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 1.6599999999999999 109.802 -179.8 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 109.971 -179.391 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.7 -47.21 87.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.34000000000000002 109.364 179.957 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.3 62.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 2.9399999999999999 109.852 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.1 -48.61 81.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.184 -0.948 . . . . 1.74 109.831 -179.489 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.409 HD21 HD21 ' B' ' 344' ' ' LEU . 74.2 mt -61.37 -33.67 74.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.17 -0.956 . . . . 1.0700000000000001 109.164 -179.888 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.94 -57.37 13.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 1.22 109.453 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -29.01 70.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 1.72 109.873 -179.55 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -57.03 13.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 1.0700000000000001 109.885 -179.546 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.485 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 15.8 mt -61.17 -41.16 96.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -0.886 . . . . 1.0800000000000001 109.595 -179.465 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.59 -37.61 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.813 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.472 HD12 ' NE2' ' B' ' 354' ' ' GLN . 1.3 tt -65.19 -40.88 94.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 1.1499999999999999 109.24 -179.752 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.5 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.76 -46.96 87.34 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.673 0.749 . . . . 2.1400000000000001 109.217 179.719 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -31.43 61.65 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.562 -0.711 . . . . 1.4299999999999999 109.6 179.937 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.62 90.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 1.3 109.345 -179.936 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.4199999999999999 109.473 179.599 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.445 -0.576 . . . . 1.6100000000000001 109.445 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 17.8 m-85 -94.97 150.2 20.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.169 -0.957 . . . . 0.96999999999999997 109.639 -179.863 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 59.1 m-85 -140.79 138.36 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.59999999999999998 109.058 179.293 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -91.26 171.17 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.961 -179.511 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.92 130.98 14.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.416 -0.802 . . . . 1.1000000000000001 109.339 179.882 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.6 124.17 32.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 1.3600000000000001 109.609 -179.932 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.2 114.07 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.194 -0.941 . . . . 1.1699999999999999 109.584 179.877 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.512 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -73.67 148.25 42.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 2.79 109.593 179.789 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.96 134.6 7.32 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.47999999999999998 109.842 179.595 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -83.63 -51.46 7.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.143 . . . . 3.2200000000000002 109.41 179.704 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.4 85.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 2.21 109.218 179.791 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.508 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -61.61 -38.27 86.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.256 -0.903 . . . . 3.5499999999999998 109.136 179.899 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.89 -52.98 58.76 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.427 -0.796 . . . . 0.52000000000000002 109.197 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.75 -35.5 43.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.321 -0.862 . . . . 1.6799999999999999 109.698 -179.763 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.63 74.25 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.207 -0.933 . . . . 1.1499999999999999 109.97 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.59 -47.24 87.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.114 -0.991 . . . . 0.33000000000000002 109.352 -179.955 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.31 62.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.8 . . . . 3.02 109.832 -179.956 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -48.37 82.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 1.75 109.904 -179.499 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . 0.409 HD21 HD21 ' A' ' 344' ' ' LEU . 74.3 mt -61.48 -33.67 74.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.12 -179.93 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.99 -57.45 12.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.382 -0.824 . . . . 1.21 109.491 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -29.0 70.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.418 -0.801 . . . . 1.6899999999999999 110.024 -179.664 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.93 14.1 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.252 -0.905 . . . . 1.0600000000000001 109.969 -179.611 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 15.5 mt -61.19 -41.13 96.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.622 -179.513 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.67 79.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.9299999999999999 109.762 -179.824 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.3 tt -65.19 -40.95 94.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.337 -0.852 . . . . 1.1399999999999999 109.277 -179.683 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -46.67 88.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.474 -0.767 . . . . 2.1899999999999999 109.199 179.738 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -31.43 61.93 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.523 -0.736 . . . . 1.4299999999999999 109.637 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.59 90.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 1.3100000000000001 109.329 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.472 ' NE2' HD12 ' A' ' 350' ' ' LEU . 21.6 mt-30 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.383 -0.823 . . . . 1.3999999999999999 109.487 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 2.1099999999999999 109.371 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.454 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 18.1 m-85 -95.05 150.15 20.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 1.01 109.708 -179.956 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 59.6 m-85 -140.62 138.59 34.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.57999999999999996 109.017 179.234 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.36 171.04 9.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.468 -0.77 . . . . 1.1599999999999999 109.937 -179.5 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.423 ' HB2' HD13 ' A' ' 332' ' ' ILE . 16.3 tp -149.81 131.01 14.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 1.1699999999999999 109.388 179.785 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.57 124.14 32.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 1.8100000000000001 109.692 -179.994 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 330' ' ' LEU . 25.5 mt -124.09 114.01 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.913 . . . . 1.1299999999999999 109.685 179.88 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -73.61 148.16 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 2.8199999999999998 109.537 179.846 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.93 134.63 7.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.896 -1.282 . . . . 0.45000000000000001 109.896 179.623 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -83.67 -51.41 7.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 3.0800000000000001 109.353 179.788 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -58.2 -46.41 85.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 2.54 109.181 179.849 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.495 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -61.51 -38.21 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.244 -0.91 . . . . 4.1100000000000003 109.255 179.762 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.08 -52.88 59.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.457 -0.777 . . . . 0.56999999999999995 109.116 179.899 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.76 -35.5 43.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.384 -0.823 . . . . 1.6599999999999999 109.731 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.6 74.38 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.22 -0.925 . . . . 1.29 110.002 -179.45 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.62 -47.18 87.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.40000000000000002 109.331 -179.981 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.04 -41.35 62.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.393 -0.817 . . . . 3.8500000000000001 109.812 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.08 -48.56 81.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.969 . . . . 1.78 109.87 -179.547 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.4 -33.69 74.11 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.928 . . . . 1.1699999999999999 109.109 -179.851 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.01 -57.51 12.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.409 -0.807 . . . . 1.2 109.371 179.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -29.03 70.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.32 -0.863 . . . . 2.1200000000000001 109.972 -179.668 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.85 -57.05 13.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 110.021 -179.592 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.443 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 15.6 mt -61.09 -41.23 96.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.331 -0.855 . . . . 1.1399999999999999 109.623 -179.527 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.56 79.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 2.0899999999999999 109.796 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.3 tt -65.3 -40.87 94.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 1.3799999999999999 109.21 -179.696 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.6 OUTLIER -61.81 -46.86 87.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 2.6800000000000002 109.145 179.761 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -31.42 61.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.552 -0.718 . . . . 1.3400000000000001 109.586 179.923 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.63 90.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 1.3 109.31 -179.995 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.236 -0.915 . . . . 1.8 109.42 179.705 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.398 -0.593 . . . . 1.6699999999999999 109.398 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 17.9 m-85 -94.93 150.13 20.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.324 -0.86 . . . . 1.01 109.711 -179.941 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 58.6 m-85 -140.67 138.64 34.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.23 -0.919 . . . . 0.63 109.071 179.241 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.53 171.1 9.41 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.426 -0.796 . . . . 1.1299999999999999 109.885 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.82 130.99 14.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 1.1000000000000001 109.418 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.64 124.2 32.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.322 -0.861 . . . . 1.3700000000000001 109.549 -179.945 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.18 113.77 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 109.706 179.833 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.504 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.2 OUTLIER -73.43 148.17 43.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 2.77 109.743 179.747 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.1 134.61 7.38 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.811 -1.316 . . . . 0.42999999999999999 109.811 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -83.62 -51.51 7.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -1.084 . . . . 3.1200000000000001 109.378 179.703 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.04 -46.47 85.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 2.2200000000000002 109.298 179.772 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.497 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 0.6 OUTLIER -61.49 -38.19 86.41 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.313 -0.867 . . . . 3.5 109.226 179.753 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.03 -53.01 58.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.46 -0.775 . . . . 0.5 109.094 179.924 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -51.63 -35.55 42.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.923 . . . . 1.6899999999999999 109.759 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.73 -49.57 74.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 110.083 -179.452 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.65 -47.22 87.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.32000000000000001 109.405 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.93 -41.43 62.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.419 -0.801 . . . . 2.96 109.87 179.94 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.121 -0.987 . . . . 1.75 109.906 -179.565 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.48 -33.69 74.2 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.128 -0.982 . . . . 1.0800000000000001 109.066 -179.884 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.07 -57.41 12.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.34 -0.85 . . . . 1.22 109.408 179.692 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.93 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.425 -0.797 . . . . 1.73 109.987 -179.72 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -57.05 13.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 109.945 -179.576 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.508 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 15.6 mt -61.18 -41.11 96.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.27 -0.894 . . . . 1.1100000000000001 109.587 -179.53 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -59.65 -37.58 79.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.9099999999999999 109.8 -179.833 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.4 tt -65.29 -40.74 94.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 1.1699999999999999 109.275 -179.689 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.85 -46.86 87.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.523 -0.736 . . . . 2.1499999999999999 109.183 179.682 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -31.36 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.582 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.63 90.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 1.3 109.28 179.968 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.838 . . . . 1.3999999999999999 109.446 179.734 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.043 0.449 . . . . 1.7 109.802 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -97.74 155.04 17.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 1.04 109.734 179.762 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.65 -171.81 3.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.873 . . . . 0.65000000000000002 109.366 179.798 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.479 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 61.9 p -152.6 160.47 43.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.117 -0.989 . . . . 1.1399999999999999 109.432 -179.778 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.14 134.28 18.22 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.316 -0.865 . . . . 1.0900000000000001 109.501 -179.69 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -85.88 128.33 34.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.3700000000000001 109.31 179.92 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.89 111.75 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 1.1499999999999999 109.542 -179.937 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.32 153.79 40.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.228 -0.92 . . . . 2.79 109.429 179.773 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 126.14 2.62 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.586 -1.406 . . . . 0.45000000000000001 109.586 179.853 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.4 OUTLIER -72.54 -52.51 15.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -1.06 . . . . 3.1600000000000001 109.777 -179.924 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.74 -47.76 81.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 109.738 -179.669 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.63 -40.5 92.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.243 -0.911 . . . . 3.54 109.602 -179.742 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.6 t80 -54.92 -55.83 26.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.5 109.795 -179.686 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -51.6 -37.17 48.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.119 -179.56 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -62.68 -46.21 89.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.095 -1.003 . . . . 1.1499999999999999 110.029 -179.374 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.21 -52.05 66.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.34000000000000002 109.437 -179.721 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 2.9399999999999999 109.845 -179.888 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.84 -50.53 73.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 1.74 109.892 -179.616 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.87 -33.59 73.31 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 109.035 179.881 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -59.0 -55.18 38.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.22 109.586 179.6 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.16 -27.99 69.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.433 -0.792 . . . . 1.72 110.0 -179.727 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.03 -56.1 25.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 110.235 -179.448 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.51 -41.96 95.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.73 -179.428 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.11 -36.86 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.48 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 350' ' ' LEU . 1.6 tt -65.63 -39.69 91.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 1.1499999999999999 109.499 -179.905 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -61.45 -45.83 92.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.507 -0.745 . . . . 2.1400000000000001 109.045 179.942 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -59.44 -34.01 71.97 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.496 -0.752 . . . . 1.4299999999999999 109.654 179.65 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.81 66.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 1.3 109.478 -179.779 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 1.4199999999999999 109.424 179.816 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.16 0.505 . . . . 1.6100000000000001 109.742 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -97.78 155.08 17.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.96999999999999997 109.683 179.821 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -140.77 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.376 -0.828 . . . . 0.59999999999999998 109.351 179.924 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 61.5 p -152.69 160.48 43.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.1000000000000001 109.345 -179.852 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -149.07 134.28 18.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.891 . . . . 1.1000000000000001 109.481 -179.665 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.78 128.25 34.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.3600000000000001 109.385 179.872 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.87 111.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 1.1699999999999999 109.563 -179.906 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 154.05 40.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -0.893 . . . . 2.79 109.453 179.766 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.47 126.25 2.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.676 -1.369 . . . . 0.47999999999999998 109.676 179.899 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.4 OUTLIER -72.73 -52.4 15.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.346 -1.091 . . . . 3.2200000000000002 109.753 -179.849 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.85 -47.76 81.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 2.21 109.755 -179.696 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -60.5 -40.49 91.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.288 -0.883 . . . . 3.5499999999999998 109.686 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.7 t80 -54.97 -55.73 27.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.443 -0.785 . . . . 0.52000000000000002 109.821 -179.695 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -51.69 -37.09 49.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 1.6799999999999999 110.076 -179.569 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.87 -45.99 89.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.115 -0.991 . . . . 1.1499999999999999 110.123 -179.37 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.35 -52.0 66.47 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.117 -0.989 . . . . 0.33000000000000002 109.43 -179.81 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -51.09 -37.08 43.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.354 -0.841 . . . . 3.02 109.84 -179.966 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.76 -50.53 73.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 1.75 109.869 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.83 -33.64 73.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.16 -0.962 . . . . 1.0700000000000001 109.044 179.824 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.86 -55.4 35.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.511 -0.743 . . . . 1.21 109.566 179.619 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.07 -27.93 69.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.092 -179.702 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.05 -56.05 25.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.185 -0.947 . . . . 1.0600000000000001 110.273 -179.513 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.5 -42.11 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.945 . . . . 1.0800000000000001 109.65 -179.436 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.04 -36.8 75.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.957 . . . . 1.9299999999999999 109.518 179.927 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.6 tt -65.72 -39.62 91.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.335 -0.853 . . . . 1.1399999999999999 109.52 -179.959 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -45.74 92.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.415 -0.803 . . . . 2.1899999999999999 108.998 179.996 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -59.58 -33.91 72.04 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.719 . . . . 1.4299999999999999 109.629 179.626 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -25.76 66.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.925 . . . . 1.3100000000000001 109.506 -179.83 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.233 -0.917 . . . . 1.3999999999999999 109.466 179.818 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.688 -0.486 . . . . 2.1099999999999999 109.688 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -97.8 154.99 17.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 1.01 109.685 179.834 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.6 m-85 -140.68 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.333 -0.854 . . . . 0.57999999999999996 109.395 179.833 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.507 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 60.7 p -152.61 160.44 43.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.98 . . . . 1.1599999999999999 109.414 -179.773 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.05 134.27 18.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 1.1699999999999999 109.478 -179.64 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.94 128.33 34.82 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.883 . . . . 1.8100000000000001 109.318 179.886 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.83 111.85 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 1.1299999999999999 109.617 -179.963 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 153.88 40.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 2.8199999999999998 109.271 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.67 126.35 2.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.67 -1.372 . . . . 0.45000000000000001 109.67 179.849 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.4 OUTLIER -72.87 -52.46 14.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -1.163 . . . . 3.0800000000000001 109.746 -179.896 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.9 -47.51 82.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 2.54 109.756 -179.688 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.6 -40.67 92.64 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -0.907 . . . . 4.1100000000000003 109.632 -179.861 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.5 t80 -54.84 -55.83 26.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.888 . . . . 0.56999999999999995 109.819 -179.697 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -51.76 -37.03 49.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.383 -0.823 . . . . 1.6599999999999999 110.094 -179.519 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.17 89.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.111 -0.993 . . . . 1.29 110.017 -179.394 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.2 -52.12 66.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.208 -0.933 . . . . 0.40000000000000002 109.445 -179.796 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.11 -37.04 43.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 3.8500000000000001 109.834 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.77 -50.54 73.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.121 -0.987 . . . . 1.78 109.81 -179.506 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.83 -33.64 73.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.991 179.926 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -58.92 -55.28 37.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 1.2 109.504 179.682 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.12 -28.0 69.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.353 -0.842 . . . . 2.1200000000000001 110.039 -179.658 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.09 -56.03 25.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.129 -0.982 . . . . 1.0700000000000001 110.213 -179.452 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.65 -42.01 96.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 1.1399999999999999 109.644 -179.365 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.03 -36.86 75.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.0899999999999999 109.48 179.859 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.491 ' CD1' ' NE2' ' D' ' 354' ' ' GLN . 1.6 tt -65.69 -39.66 91.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 1.3799999999999999 109.43 -179.84 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.514 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -61.59 -45.68 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 2.6800000000000002 109.083 179.986 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.532 -0.73 . . . . 1.3400000000000001 109.638 179.581 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.85 66.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 1.3 109.4 -179.775 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 1.8 109.435 179.819 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.167 0.508 . . . . 1.6699999999999999 109.682 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -97.77 155.14 17.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 1.01 109.724 179.791 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.0 m-85 -140.74 -171.77 3.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -0.824 . . . . 0.63 109.381 179.903 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 62.8 p -152.69 160.51 43.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 109.361 -179.821 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -149.16 134.23 18.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.491 -179.672 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.86 128.19 34.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 1.3700000000000001 109.317 179.936 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.81 111.64 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 1.1499999999999999 109.625 -179.934 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 153.98 40.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 2.77 109.428 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.54 126.26 2.59 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.638 -1.385 . . . . 0.42999999999999999 109.638 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.4 OUTLIER -72.67 -52.43 15.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.085 . . . . 3.1200000000000001 109.792 -179.927 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.84 -47.82 81.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.2200000000000002 109.69 -179.675 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.45 -40.65 91.94 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.349 -0.844 . . . . 3.5 109.613 -179.781 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -54.8 -55.81 26.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.37 -0.831 . . . . 0.5 109.875 -179.722 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.74 -37.1 49.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 110.074 -179.554 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.12 89.53 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.078 -1.013 . . . . 1.1399999999999999 110.101 -179.399 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.24 -52.05 66.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.32000000000000001 109.411 -179.807 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -51.22 -36.97 44.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 2.96 109.782 -179.839 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.74 -50.52 73.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 1.75 109.866 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.92 -33.59 73.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.209 -0.932 . . . . 1.0800000000000001 108.963 179.902 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -58.97 -55.26 37.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.365 -0.834 . . . . 1.22 109.544 179.696 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.24 -27.85 69.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 1.73 109.995 -179.646 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.24 -55.96 26.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 110.261 -179.478 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.5 -42.08 95.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 1.1100000000000001 109.701 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.0 -36.81 75.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.254 -0.904 . . . . 1.9099999999999999 109.553 179.848 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.6 tt -65.71 -39.67 91.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.289 -0.882 . . . . 1.1699999999999999 109.501 -179.883 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.58 -45.61 93.37 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.361 -0.837 . . . . 2.1499999999999999 109.113 179.958 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -59.54 -34.01 72.11 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.459 -0.776 . . . . 1.4399999999999999 109.596 179.58 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.82 66.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.392 -0.818 . . . . 1.3 109.405 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.491 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.3999999999999999 109.456 179.778 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.427 -0.583 . . . . 1.7 109.427 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 16.6 m-85 -94.19 148.14 22.48 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.237 -0.914 . . . . 1.04 109.582 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.9 m-85 -139.95 136.9 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.359 -0.838 . . . . 0.65000000000000002 109.14 179.296 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.41 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 21.4 p -93.2 169.36 10.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.831 . . . . 1.1399999999999999 109.39 179.943 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' C' ' 342' ' ' ARG . 30.9 tp -149.6 132.89 16.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.14 -0.975 . . . . 1.0900000000000001 109.925 -179.871 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -86.32 121.96 29.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.462 -0.773 . . . . 1.3700000000000001 109.026 179.401 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.43 HG22 ' CD2' ' A' ' 341' ' ' PHE . 27.0 mt -123.9 109.66 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.833 -179.68 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.03 146.13 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 2.79 109.524 179.75 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.09 133.13 8.02 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.538 -1.425 . . . . 0.45000000000000001 109.538 179.806 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.9 ttp180 -79.6 -55.55 4.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -1.156 . . . . 3.1600000000000001 109.561 -179.923 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.69 -44.45 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 2.2200000000000002 109.453 179.953 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.19 -43.64 95.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.403 -0.811 . . . . 3.54 109.573 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' C' ' 329' ' ' THR . 31.0 t80 -55.42 -55.49 31.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.5 109.489 -179.864 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -51.69 -37.8 52.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 1.6599999999999999 110.045 -179.645 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.29 -46.01 88.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 1.1499999999999999 109.935 -179.442 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 332' ' ' ILE . 23.9 m-85 -61.36 -55.54 30.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.34000000000000002 109.189 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.452 ' CB ' HD12 ' C' ' 330' ' ' LEU . 0.1 OUTLIER -50.62 -36.47 35.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.411 -0.806 . . . . 2.9399999999999999 109.492 179.815 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.56 -46.46 90.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -0.865 . . . . 1.74 109.777 -179.761 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.51 -41.15 96.87 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.422 -179.938 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.44 -47.29 84.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.338 -0.851 . . . . 1.22 109.634 179.754 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.03 -37.21 86.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.72 109.979 -179.609 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.46 77.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 1.0700000000000001 110.01 -179.545 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.4 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 72.6 mt -61.7 -44.96 95.93 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 1.0800000000000001 109.789 -179.649 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.44 -35.1 73.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.573 -179.991 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.6 tt -65.1 -48.14 74.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.428 -0.795 . . . . 1.1499999999999999 109.39 -179.802 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 31.7 ttmt -61.18 -35.55 77.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 109.158 179.89 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -57.02 -39.3 74.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.495 -0.753 . . . . 1.4299999999999999 109.387 179.846 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.24 76.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 1.3 109.327 -179.891 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.4199999999999999 109.571 179.911 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.441 -0.577 . . . . 1.6100000000000001 109.441 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 16.8 m-85 -94.24 148.1 22.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.96999999999999997 109.557 179.991 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -139.9 136.94 34.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.161 -0.962 . . . . 0.59999999999999998 109.192 179.224 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -93.21 169.38 10.44 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.329 -0.857 . . . . 1.1000000000000001 109.427 179.952 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' D' ' 342' ' ' ARG . 30.9 tp -149.69 132.84 16.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 1.1000000000000001 109.9 -179.851 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.23 121.85 29.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.39 -0.819 . . . . 1.3600000000000001 109.022 179.456 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' B' ' 341' ' ' PHE . 27.2 mt -123.9 109.7 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.091 -1.005 . . . . 1.1699999999999999 109.905 -179.733 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.04 146.07 44.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 2.79 109.455 179.903 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.07 133.12 8.01 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.593 -1.403 . . . . 0.47999999999999998 109.593 179.856 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttp180 -79.56 -55.66 4.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.178 -1.189 . . . . 3.2200000000000002 109.583 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.54 -44.38 89.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.21 109.53 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.3 -43.77 95.99 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.428 -0.795 . . . . 3.5499999999999998 109.496 -179.887 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 31.4 t80 -55.26 -55.6 29.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.52000000000000002 109.531 -179.9 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -51.65 -37.99 52.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.344 -0.847 . . . . 1.6799999999999999 109.915 -179.661 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.13 -46.11 88.81 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 110.08 -179.529 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.0 m-85 -61.17 -55.69 29.33 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.219 -0.926 . . . . 0.33000000000000002 109.182 179.936 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.464 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.52 -36.46 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 3.02 109.646 179.816 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.6 -46.43 90.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.75 109.677 -179.666 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.312 -179.858 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.48 -47.27 84.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.295 -0.878 . . . . 1.21 109.637 179.869 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.05 -37.14 85.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.275 -0.89 . . . . 1.6899999999999999 110.003 -179.655 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.41 77.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.178 -0.951 . . . . 1.0600000000000001 110.082 -179.636 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0800000000000001 109.753 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.48 -34.99 73.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.9299999999999999 109.628 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.6 tt -65.09 -48.04 75.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.846 . . . . 1.1399999999999999 109.414 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -61.3 -35.61 77.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.347 -0.846 . . . . 2.1899999999999999 109.043 179.865 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.29 74.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.459 -0.776 . . . . 1.4299999999999999 109.521 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.25 76.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.442 179.929 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 1.3999999999999999 109.569 179.868 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.444 -0.576 . . . . 2.1099999999999999 109.444 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 16.7 m-85 -94.23 148.16 22.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 1.01 109.571 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.7 m-85 -140.0 136.71 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.976 . . . . 0.57999999999999996 109.227 179.236 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.1 p -92.97 169.25 10.58 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.383 -0.823 . . . . 1.1599999999999999 109.404 -179.988 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 342' ' ' ARG . 30.7 tp -149.57 132.97 16.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.158 -0.964 . . . . 1.1699999999999999 109.906 -179.918 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -86.34 121.85 29.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 1.8100000000000001 108.965 179.563 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' C' ' 341' ' ' PHE . 27.0 mt -123.91 109.77 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 1.1299999999999999 109.818 -179.697 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.02 146.1 44.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 2.8199999999999998 109.49 179.825 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.02 133.05 7.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.615 -1.394 . . . . 0.45000000000000001 109.615 179.907 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.0 ttp180 -79.67 -55.47 4.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -1.144 . . . . 3.0800000000000001 109.531 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.62 -44.35 89.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 2.54 109.443 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.47 -43.61 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 4.1100000000000003 109.56 -179.867 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 329' ' ' THR . 31.1 t80 -55.32 -55.52 30.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.56999999999999995 109.486 -179.893 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -51.64 -37.93 52.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 109.924 -179.708 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.26 -46.01 88.85 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.144 -0.972 . . . . 1.29 110.053 -179.477 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.23 -55.77 28.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.40000000000000002 109.143 179.985 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.454 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.48 -36.42 33.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 3.8500000000000001 109.642 179.791 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.69 -46.37 90.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.99 . . . . 1.78 109.759 -179.736 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.33 -41.42 97.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.857 . . . . 1.1699999999999999 109.368 179.98 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.4 -47.23 84.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.35 -0.844 . . . . 1.2 109.658 179.93 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.97 -37.19 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 110.047 -179.755 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.305 -0.872 . . . . 1.0700000000000001 110.051 -179.556 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.71 -45.02 95.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 1.1399999999999999 109.745 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.49 -35.05 73.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 2.0899999999999999 109.605 -179.952 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.6 tt -64.97 -48.11 75.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 1.3799999999999999 109.512 -179.952 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.7 ttmt -61.27 -35.57 77.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 2.6800000000000002 109.069 179.885 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.03 -39.26 74.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.496 -0.753 . . . . 1.3400000000000001 109.499 179.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.24 76.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 1.3 109.471 179.906 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 1.8 109.486 179.993 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.486 -0.561 . . . . 1.6699999999999999 109.486 . . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 16.5 m-85 -94.17 148.14 22.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.887 . . . . 1.01 109.572 179.995 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.9 m-85 -139.96 136.84 34.21 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.193 -0.942 . . . . 0.63 109.25 179.182 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.3 p -92.96 169.47 10.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.481 -0.762 . . . . 1.1299999999999999 109.445 179.97 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' B' ' 342' ' ' ARG . 31.3 tp -149.77 132.85 16.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.064 -1.023 . . . . 1.1000000000000001 109.892 -179.92 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.33 121.89 29.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.962 179.552 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.421 HG22 ' CD2' ' D' ' 341' ' ' PHE . 27.6 mt -123.99 109.78 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 1.1499999999999999 109.814 -179.723 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.06 146.14 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 2.77 109.458 179.871 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.04 133.07 7.99 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.622 -1.391 . . . . 0.42999999999999999 109.622 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.0 ttp180 -79.64 -55.56 4.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.324 -1.103 . . . . 3.1200000000000001 109.552 -179.919 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.52 -44.55 89.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 2.2200000000000002 109.449 179.896 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.18 -43.71 95.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.376 -0.828 . . . . 3.5 109.574 -179.906 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' B' ' 329' ' ' THR . 31.0 t80 -55.35 -55.51 30.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.344 -0.848 . . . . 0.5 109.48 -179.874 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -51.7 -37.82 52.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 110.008 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.26 -46.04 88.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.225 -0.922 . . . . 1.1399999999999999 109.946 -179.407 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.8 m-85 -61.36 -55.57 30.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.32000000000000001 109.111 -179.897 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.57 -36.45 34.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.536 -0.728 . . . . 2.96 109.615 179.852 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.58 -46.32 90.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.114 -0.991 . . . . 1.75 109.806 -179.804 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.66 -41.11 97.07 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.0800000000000001 109.364 -179.921 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.55 -47.17 85.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 1.22 109.622 179.845 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.18 -37.0 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 1.73 110.035 -179.627 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.36 77.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 110.033 -179.654 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.7 -45.05 95.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 1.1100000000000001 109.827 -179.718 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.4 -35.09 73.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.616 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.6 tt -64.99 -48.15 75.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.855 . . . . 1.1699999999999999 109.423 -179.868 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.7 ttmt -61.31 -35.46 77.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.434 -0.791 . . . . 2.1499999999999999 109.1 179.851 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.33 74.52 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 109.458 179.788 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.24 76.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.3 109.38 179.984 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.3999999999999999 109.489 -179.99 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.076 0.465 . . . . 1.7 109.784 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -100.6 151.46 21.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.04 109.396 179.546 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.64 -169.09 2.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 109.697 -179.699 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 36.8 p -153.25 160.74 42.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 1.1399999999999999 109.325 -179.841 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 130.56 14.9 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 1.0900000000000001 109.604 -179.796 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.71 132.5 33.85 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.47 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' A' ' 341' ' ' PHE . 44.7 mt -123.89 116.63 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.162 -0.961 . . . . 1.1499999999999999 109.44 179.779 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -73.06 150.41 42.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.79 109.598 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.58 7.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.648 -1.381 . . . . 0.45000000000000001 109.648 179.808 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.6 ttm180 -79.5 -51.67 9.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -1.097 . . . . 3.1600000000000001 109.499 179.945 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.32 90.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 2.2200000000000002 109.826 -179.887 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.95 97.64 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.336 -0.852 . . . . 3.54 109.623 -179.874 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.4 t80 -55.51 -51.77 65.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.355 -0.841 . . . . 0.5 109.527 179.917 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.68 -39.45 61.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 1.6599999999999999 110.006 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.39 -47.15 85.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 110.275 -179.25 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.439 ' CE2' HG22 ' A' ' 332' ' ' ILE . 23.2 m-85 -60.62 -53.08 61.82 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.157 -0.964 . . . . 0.34000000000000002 109.435 -179.759 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.68 -38.75 48.53 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.308 -0.87 . . . . 2.9399999999999999 109.505 179.804 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -61.33 -45.14 95.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.74 109.885 -179.734 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -44.56 96.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.593 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.1 -44.89 87.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.305 -0.872 . . . . 1.22 109.667 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -37.63 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.72 109.729 -179.813 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.9 79.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 109.887 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 66.1 mt -61.42 -44.69 96.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 1.0800000000000001 109.942 -179.618 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.0 -35.92 78.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 1.9099999999999999 109.86 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 18.2 tp -64.78 -43.15 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -0.826 . . . . 1.1499999999999999 109.487 -179.806 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -63.08 -49.39 74.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 2.1400000000000001 109.192 179.799 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.72 -33.97 68.99 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.662 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.55 77.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 1.3 109.643 -179.682 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.4199999999999999 109.62 -179.818 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.176 0.512 . . . . 1.6100000000000001 109.72 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.63 151.54 21.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.13 -0.981 . . . . 0.96999999999999997 109.363 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.6 -169.13 2.54 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.261 -0.899 . . . . 0.59999999999999998 109.794 -179.668 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.3 p -153.29 160.55 42.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 1.1000000000000001 109.321 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.87 130.66 15.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.965 . . . . 1.1000000000000001 109.676 -179.88 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.49 33.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.907 . . . . 1.3600000000000001 109.476 -179.982 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.44 HG22 ' CE2' ' B' ' 341' ' ' PHE . 44.7 mt -123.87 116.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 1.1699999999999999 109.448 179.895 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -72.92 150.44 42.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 2.79 109.556 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.67 7.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.647 -1.381 . . . . 0.47999999999999998 109.647 179.818 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.7 ttm180 -79.56 -51.7 8.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 3.2200000000000002 109.437 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.42 90.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.383 -0.823 . . . . 2.21 109.76 -179.831 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.508 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 11.3 tpp180 -62.11 -44.15 97.29 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.314 -0.866 . . . . 3.5499999999999998 109.6 -179.799 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.2 t80 -55.38 -51.76 65.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.363 -0.835 . . . . 0.52000000000000002 109.554 179.915 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.76 -39.4 62.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.448 -0.783 . . . . 1.6799999999999999 110.008 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.43 -47.09 85.6 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.301 -179.245 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' B' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.99 62.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.978 . . . . 0.33000000000000002 109.404 -179.716 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.76 -38.76 49.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 3.02 109.418 179.89 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -61.4 -44.94 96.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 1.75 109.912 -179.709 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.98 -44.58 96.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 1.0700000000000001 109.571 -179.708 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.13 -44.98 88.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 1.21 109.619 179.961 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.83 -37.49 86.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.334 -0.854 . . . . 1.6899999999999999 109.79 -179.857 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 1.0600000000000001 109.806 -179.784 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 67.4 mt -61.42 -44.74 96.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 1.0800000000000001 109.879 -179.518 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.06 -35.9 78.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 1.9299999999999999 109.778 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 18.2 tp -64.68 -43.03 94.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.588 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.23 -49.31 74.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.391 -0.818 . . . . 2.1899999999999999 109.171 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.8 -33.91 69.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.485 -0.76 . . . . 1.4299999999999999 109.66 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.52 77.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 1.3100000000000001 109.669 -179.717 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.329 -0.857 . . . . 1.3999999999999999 109.623 -179.843 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.02 0.438 . . . . 2.1099999999999999 109.837 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -100.58 151.54 21.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 1.01 109.295 179.552 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -138.64 -169.13 2.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.57999999999999996 109.732 -179.743 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 36.7 p -153.32 160.68 42.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 1.1599999999999999 109.253 -179.866 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -148.92 130.62 15.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.194 -0.942 . . . . 1.1699999999999999 109.54 -179.749 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.58 33.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.294 -0.879 . . . . 1.8100000000000001 109.519 179.923 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' C' ' 341' ' ' PHE . 44.7 mt -123.87 116.59 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.123 -0.986 . . . . 1.1299999999999999 109.386 179.929 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.05 150.4 42.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.8199999999999998 109.541 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.56 7.06 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.753 -1.339 . . . . 0.45000000000000001 109.753 179.875 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.424 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.7 ttm180 -79.51 -51.68 9.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -1.132 . . . . 3.0800000000000001 109.437 -179.986 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.35 90.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 2.54 109.808 -179.896 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.223 -0.923 . . . . 4.1100000000000003 109.594 -179.758 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.6 t80 -55.51 -51.73 66.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.402 -0.811 . . . . 0.56999999999999995 109.49 179.943 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.77 -39.43 62.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.931 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.34 -47.14 85.53 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.312 -0.867 . . . . 1.29 110.353 -179.295 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' C' ' 332' ' ' ILE . 23.2 m-85 -60.64 -53.11 61.37 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.236 -0.915 . . . . 0.40000000000000002 109.405 -179.762 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -50.78 -38.6 49.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 3.8500000000000001 109.486 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -61.42 -45.03 96.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.233 -0.917 . . . . 1.78 109.92 -179.757 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.83 -44.72 96.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.1699999999999999 109.572 -179.666 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -57.96 -45.02 87.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 1.2 109.626 179.962 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.96 -37.5 87.36 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.864 . . . . 2.1200000000000001 109.721 -179.687 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.0 79.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.905 . . . . 1.0700000000000001 109.857 -179.843 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 66.7 mt -61.42 -44.86 96.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.358 -0.839 . . . . 1.1399999999999999 109.895 -179.572 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.92 -35.98 78.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 2.0899999999999999 109.784 -179.809 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.468 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 18.2 tp -64.69 -43.2 94.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.3799999999999999 109.468 -179.792 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.08 -49.34 74.91 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.411 -0.805 . . . . 2.6800000000000002 109.177 179.877 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -34.01 69.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.529 -0.732 . . . . 1.3400000000000001 109.668 179.822 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.65 77.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.883 . . . . 1.3 109.713 -179.772 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.193 -0.942 . . . . 1.8 109.542 -179.766 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.714 -0.476 . . . . 1.6699999999999999 109.714 . . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -100.59 151.59 21.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.172 -0.955 . . . . 1.01 109.388 179.454 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.0 m-85 -138.66 -169.19 2.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.63 109.764 -179.684 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.2 p -153.29 160.51 42.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.1299999999999999 109.389 -179.897 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.83 130.63 15.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 109.552 -179.765 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -86.83 132.42 33.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 1.3700000000000001 109.444 -179.97 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' D' ' 341' ' ' PHE . 44.0 mt -123.76 116.59 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.173 -0.955 . . . . 1.1499999999999999 109.487 179.817 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.21 150.41 42.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.892 . . . . 2.77 109.537 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.85 138.54 7.11 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.709 -1.356 . . . . 0.42999999999999999 109.709 179.932 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.6 ttm180 -79.52 -51.65 9.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.238 -1.154 . . . . 3.1200000000000001 109.49 179.959 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -42.27 90.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.849 -179.861 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 11.4 tpp180 -62.2 -43.98 97.6 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.271 -0.893 . . . . 3.5 109.653 -179.921 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.4 t80 -55.48 -51.77 65.86 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.399 -0.813 . . . . 0.5 109.562 179.899 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.62 -39.46 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.6899999999999999 110.088 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -62.47 -47.11 85.46 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 110.216 -179.215 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' D' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.94 62.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.176 -0.952 . . . . 0.32000000000000001 109.415 -179.689 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.86 -38.67 50.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.296 -0.877 . . . . 2.96 109.543 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -61.25 -45.13 95.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.28 -0.887 . . . . 1.75 109.909 -179.84 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.617 -179.679 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.14 -44.97 88.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.22 109.607 -179.994 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.87 -37.53 87.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.242 -0.911 . . . . 1.73 109.761 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.09 -48.96 79.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 109.813 -179.741 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.508 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 67.2 mt -61.47 -44.86 96.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.868 . . . . 1.1100000000000001 109.858 -179.513 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.84 -35.92 77.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.051 -1.031 . . . . 1.9099999999999999 109.836 -179.845 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 18.4 tp -64.67 -43.18 94.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.577 -179.867 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.16 -49.4 74.46 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 2.1499999999999999 109.152 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.69 -33.98 68.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.498 -0.751 . . . . 1.4399999999999999 109.639 179.865 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.49 77.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 1.3 109.717 -179.725 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.91 . . . . 1.3999999999999999 109.653 -179.849 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.412 -0.588 . . . . 1.7 109.412 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 12.1 m-85 -94.45 158.8 15.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 1.04 109.704 -179.897 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 95.3 m-85 -138.48 -168.49 2.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.638 179.973 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.565 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.4 p -154.51 152.53 30.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 1.1399999999999999 109.474 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.03 133.03 18.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 1.0900000000000001 109.578 -179.79 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.0 tt0 -87.53 132.36 34.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.834 . . . . 1.3700000000000001 109.741 -179.864 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.0 mt -123.98 115.38 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 109.349 179.65 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.3 148.78 41.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 2.79 109.557 179.933 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.48 133.93 8.21 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.752 -1.339 . . . . 0.45000000000000001 109.752 179.73 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttt180 -70.5 -61.65 1.69 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -1.161 . . . . 3.1600000000000001 109.465 179.839 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.72 -38.69 78.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.892 . . . . 2.2200000000000002 109.55 -179.993 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.486 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.81 -48.64 77.51 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.318 -0.864 . . . . 3.54 109.93 -179.791 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.7 t80 -55.51 -57.86 10.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.893 . . . . 0.5 109.611 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -50.91 -35.43 33.0 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 109.956 -179.731 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.22 -51.32 66.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.066 -1.021 . . . . 1.1499999999999999 110.437 -179.204 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -61.46 -51.63 67.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.063 -1.023 . . . . 0.34000000000000002 109.459 -179.767 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -50.99 -35.81 35.87 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.373 -0.829 . . . . 2.9399999999999999 109.737 179.955 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.33 -50.51 73.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 1.74 109.688 -179.733 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.41 -34.2 74.98 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.213 -0.929 . . . . 1.0700000000000001 109.0 179.927 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.7 -53.96 51.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 1.22 109.721 179.751 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.72 109.884 -179.488 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' B' ' 347' ' ' ALA . . . -60.36 -52.02 67.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 1.0700000000000001 109.899 -179.521 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.17 -43.23 99.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 109.713 -179.729 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.14 -33.36 72.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.78 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.411 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.4 tt -64.7 -47.69 77.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 1.1499999999999999 109.514 -179.683 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.06 -46.63 89.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 2.1400000000000001 109.011 179.78 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.06 63.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.48 179.496 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.8 81.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.3 109.74 -179.785 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 1.4199999999999999 109.589 -179.86 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.448 -0.575 . . . . 1.6100000000000001 109.448 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.46 158.73 15.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.96999999999999997 109.734 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 95.1 m-85 -138.32 -168.48 2.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.59999999999999998 109.587 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.579 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 1.1000000000000001 109.467 -179.978 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.0 133.02 18.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 1.1000000000000001 109.505 -179.807 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 2.0 tt0 -87.47 132.35 34.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 109.739 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 36.5 mt -123.95 115.42 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.288 -0.883 . . . . 1.1699999999999999 109.38 179.613 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.27 148.64 41.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.79 109.563 179.961 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.56 133.98 8.24 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.731 -1.348 . . . . 0.47999999999999998 109.731 179.663 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttt180 -70.62 -61.62 1.7 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -1.12 . . . . 3.2200000000000002 109.391 179.936 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.77 -38.62 78.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.456 -0.778 . . . . 2.21 109.564 -179.945 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.479 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.95 -48.52 78.12 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.32 -0.862 . . . . 3.5499999999999998 109.912 -179.77 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.57 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.32 -57.93 9.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.373 -0.83 . . . . 0.52000000000000002 109.727 -179.842 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.04 -35.24 33.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 1.6799999999999999 109.891 -179.615 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.36 -51.21 66.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.26 -0.9 . . . . 1.1499999999999999 110.39 -179.154 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -61.65 -51.54 68.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.146 -0.971 . . . . 0.33000000000000002 109.4 -179.641 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.85 -36.04 35.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.359 -0.838 . . . . 3.02 109.693 179.845 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.21 -50.42 73.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.129 -0.982 . . . . 1.75 109.782 -179.682 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.41 -34.26 75.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -0.917 . . . . 1.0700000000000001 108.99 179.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.68 -53.91 52.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.21 109.825 179.775 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.26 -33.99 76.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 109.994 -179.617 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -60.27 -52.11 66.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 1.0600000000000001 109.874 -179.551 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -43.24 99.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 1.0800000000000001 109.616 -179.668 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.25 -33.21 71.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.801 -179.97 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.4 tt -64.82 -47.59 77.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 1.1399999999999999 109.494 -179.648 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 23.4 ttmm -61.16 -46.52 90.17 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.774 . . . . 2.1899999999999999 109.012 179.766 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.16 63.64 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.629 -0.669 . . . . 1.4299999999999999 109.357 179.51 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.8 81.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 1.3100000000000001 109.693 -179.656 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 1.3999999999999999 109.687 -179.92 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.469 -0.567 . . . . 2.1099999999999999 109.469 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.4 158.92 15.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.897 . . . . 1.01 109.693 -179.908 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 95.2 m-85 -138.59 -168.49 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.337 -0.852 . . . . 0.57999999999999996 109.586 179.982 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.4 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 1.1599999999999999 109.469 -179.879 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.01 133.07 18.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.102 -0.999 . . . . 1.1699999999999999 109.508 -179.815 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.0 tt0 -87.5 132.36 34.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.171 -0.956 . . . . 1.8100000000000001 109.824 -179.948 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 36.3 mt -123.99 115.33 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 1.1299999999999999 109.392 179.683 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.23 148.82 41.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 2.8199999999999998 109.554 179.994 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.51 133.94 8.21 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.779 -1.328 . . . . 0.45000000000000001 109.779 179.64 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttt180 -70.52 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -1.077 . . . . 3.0800000000000001 109.469 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.85 -38.48 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 2.54 109.542 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.54 78.18 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.345 -0.847 . . . . 4.1100000000000003 109.982 -179.847 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.0 t80 -55.46 -57.82 10.32 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.358 -0.838 . . . . 0.56999999999999995 109.716 -179.81 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.1 -35.14 33.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 1.6599999999999999 109.903 -179.694 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.44 -51.23 66.58 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.171 -0.956 . . . . 1.29 110.319 -179.178 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.74 -51.39 68.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.085 -1.009 . . . . 0.40000000000000002 109.459 -179.628 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.03 -35.9 36.73 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.419 -0.801 . . . . 3.8500000000000001 109.723 179.811 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.14 -50.57 73.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.114 -0.991 . . . . 1.78 109.738 -179.776 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.39 -34.33 75.17 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.91 . . . . 1.1699999999999999 108.989 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.58 -53.97 51.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 1.2 109.83 179.738 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.25 -33.95 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.89 . . . . 2.1200000000000001 109.985 -179.578 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -60.26 -52.12 66.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.945 . . . . 1.0700000000000001 109.955 -179.647 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.2 -43.23 99.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 1.1399999999999999 109.612 -179.677 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.17 -33.27 71.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 2.0899999999999999 109.82 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -64.75 -47.58 77.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 1.3799999999999999 109.537 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.23 -46.54 89.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.338 -0.851 . . . . 2.6800000000000002 108.936 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -30.02 63.59 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.54 -0.725 . . . . 1.3400000000000001 109.486 179.461 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.76 81.72 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.329 -0.857 . . . . 1.3 109.651 -179.697 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.8 109.709 -179.93 . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.502 -0.555 . . . . 1.6699999999999999 109.502 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.3 m-85 -94.59 158.82 15.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 1.01 109.645 -179.848 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.1 m-85 -138.52 -168.51 2.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 0.63 109.59 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.57 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -154.48 152.54 30.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 1.1299999999999999 109.446 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.06 133.0 18.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 1.1000000000000001 109.541 -179.811 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 2.1 tt0 -87.44 132.3 34.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 1.3700000000000001 109.871 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.0 mt -123.93 115.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 1.1499999999999999 109.378 179.581 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.42 148.7 40.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 2.77 109.521 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.6 133.8 8.17 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.722 -1.351 . . . . 0.42999999999999999 109.722 179.628 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.6 ttt180 -70.35 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.144 . . . . 3.1200000000000001 109.503 179.818 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.8 -38.54 78.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.443 -0.786 . . . . 2.2200000000000002 109.579 -179.967 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -48.49 78.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.315 -0.866 . . . . 3.5 109.933 -179.787 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.7 t80 -55.5 -57.92 9.9 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.386 -0.821 . . . . 0.5 109.625 -179.797 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.01 -35.24 33.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.859 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.43 -51.25 66.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 1.1399999999999999 110.275 -179.095 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -61.56 -51.57 68.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.112 -0.992 . . . . 0.32000000000000001 109.403 -179.642 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.0 -35.91 36.47 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.428 -0.795 . . . . 2.96 109.675 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.26 -50.42 73.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 1.75 109.734 -179.705 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.44 -34.24 75.07 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.25 -0.906 . . . . 1.0800000000000001 108.988 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.76 -53.94 52.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.793 . . . . 1.22 109.751 179.776 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.18 -34.11 76.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 1.73 109.942 -179.594 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' C' ' 347' ' ' ALA . . . -60.03 -52.21 66.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 109.927 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.17 -43.35 99.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.612 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.2 -33.19 71.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.28 -0.887 . . . . 1.9099999999999999 109.816 179.996 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.4 tt -64.72 -47.69 77.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.302 -0.874 . . . . 1.1699999999999999 109.492 -179.74 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.17 -46.57 89.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.873 . . . . 2.1499999999999999 108.944 179.828 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -30.08 63.52 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.682 -0.636 . . . . 1.4399999999999999 109.466 179.54 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.83 82.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 1.3 109.729 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.124 -0.985 . . . . 1.3999999999999999 109.716 -179.957 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.31 0.576 . . . . 1.7 109.649 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -94.85 155.98 16.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.237 -0.914 . . . . 1.04 109.068 179.387 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -138.54 -168.82 2.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 0.65000000000000002 109.791 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.6 p -155.12 158.22 38.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.403 -0.811 . . . . 1.1399999999999999 109.358 -179.903 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.9 tp -147.95 128.83 14.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 1.0900000000000001 109.427 -179.96 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -86.84 129.43 34.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 1.3700000000000001 109.61 -179.827 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 119.07 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.927 . . . . 1.1499999999999999 109.468 179.672 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.4 149.75 42.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 2.79 109.51 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.59 5.98 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.716 -1.354 . . . . 0.45000000000000001 109.716 179.889 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 tpt180 -80.16 -51.66 8.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -1.152 . . . . 3.1600000000000001 109.572 179.937 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.251 -0.906 . . . . 2.2200000000000002 109.697 -179.698 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' C' ' 348' ' ' LEU . 9.0 tpp180 -63.32 -44.76 94.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.263 -0.898 . . . . 3.54 109.589 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.9 t80 -53.59 -49.98 66.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.358 -0.839 . . . . 0.5 109.455 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 20.6 mt-10 -52.57 -39.86 61.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.827 . . . . 1.6599999999999999 109.833 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.21 -45.48 93.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.296 -0.877 . . . . 1.1499999999999999 110.176 -179.257 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -61.44 -53.38 57.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.161 -0.962 . . . . 0.34000000000000002 109.282 -179.837 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.67 -39.04 49.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.9399999999999999 109.82 179.924 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.85 -44.88 96.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.158 -0.964 . . . . 1.74 109.873 -179.682 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.01 -44.83 95.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.571 -179.738 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.08 -43.73 87.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 1.22 109.723 179.996 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -38.9 93.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.897 . . . . 1.72 109.94 -179.697 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.54 77.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 109.976 -179.684 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.454 HD12 ' NH1' ' C' ' 337' ' ' ARG . 43.8 mt -61.52 -43.74 98.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.663 -179.758 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 -36.27 76.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.9099999999999999 109.675 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.416 HD22 ' NE2' ' B' ' 354' ' ' GLN . 8.7 tp -64.57 -45.7 85.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 109.7 -179.909 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -41.51 97.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.263 -0.898 . . . . 2.1400000000000001 109.076 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.2 -32.42 66.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.566 -0.709 . . . . 1.4299999999999999 109.697 179.682 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.8 88.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.9 . . . . 1.3 109.813 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.404 ' NE2' HD22 ' B' ' 350' ' ' LEU . 10.4 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.4199999999999999 109.629 -179.786 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.278 0.561 . . . . 1.6100000000000001 109.614 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.82 155.91 16.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.96999999999999997 109.089 179.42 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.8 m-85 -138.49 -168.89 2.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.159 -0.963 . . . . 0.59999999999999998 109.752 -179.824 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 16.3 p -154.93 158.28 39.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.297 -0.877 . . . . 1.1000000000000001 109.317 -179.869 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.8 tp -147.9 128.8 14.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.16 -0.963 . . . . 1.1000000000000001 109.482 179.985 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.4 34.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 1.3600000000000001 109.694 -179.907 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.95 119.11 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 1.1699999999999999 109.4 179.749 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.45 149.79 42.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.193 -0.942 . . . . 2.79 109.463 -179.973 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.7 6.02 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.701 -1.36 . . . . 0.47999999999999998 109.701 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 tpt180 -80.33 -51.53 8.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -1.164 . . . . 3.2200000000000002 109.575 179.962 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.21 109.71 -179.773 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 9.0 tpp180 -63.31 -44.77 94.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.303 -0.873 . . . . 3.5499999999999998 109.594 179.956 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 59.2 t80 -53.71 -49.95 66.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.838 . . . . 0.52000000000000002 109.415 -179.905 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 20.6 mt-10 -52.61 -39.73 61.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 1.6799999999999999 109.858 -179.979 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.28 -45.45 93.21 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.246 -0.909 . . . . 1.1499999999999999 110.195 -179.341 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.45 -53.3 58.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.179 -0.951 . . . . 0.33000000000000002 109.383 -179.896 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.76 -38.98 51.05 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.315 -0.865 . . . . 3.02 109.734 179.932 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.92 -44.89 96.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.119 -0.988 . . . . 1.75 109.817 -179.624 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.97 -44.85 95.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.645 -179.769 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.19 -43.5 87.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.21 109.735 -179.969 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.27 -38.95 93.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.401 -0.812 . . . . 1.6899999999999999 109.848 -179.718 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.61 76.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -0.873 . . . . 1.0600000000000001 109.948 -179.677 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.417 HD12 ' NH1' ' D' ' 337' ' ' ARG . 44.9 mt -61.51 -43.82 98.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 109.56 -179.689 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -59.82 -36.27 76.45 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.291 -0.881 . . . . 1.9299999999999999 109.728 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.404 HD22 ' NE2' ' A' ' 354' ' ' GLN . 8.7 tp -64.64 -45.75 85.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.1399999999999999 109.625 -179.912 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -41.61 97.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.887 . . . . 2.1899999999999999 109.083 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.25 -32.34 66.46 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 1.4299999999999999 109.639 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.72 88.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 1.3100000000000001 109.724 -179.621 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.416 ' NE2' HD22 ' A' ' 350' ' ' LEU . 10.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.643 -179.893 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.361 0.601 . . . . 2.1099999999999999 109.705 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.9 155.9 16.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 1.01 109.061 179.436 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.0 m-85 -138.46 -168.85 2.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.95 . . . . 0.57999999999999996 109.794 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.5 p -155.08 158.15 38.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 1.1599999999999999 109.367 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.9 tp -147.8 128.87 14.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.239 -0.913 . . . . 1.1699999999999999 109.493 -179.975 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -86.85 129.37 34.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 1.8100000000000001 109.662 -179.859 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.5 mt -123.95 119.19 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 1.1299999999999999 109.344 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.48 149.72 42.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 2.8199999999999998 109.55 179.995 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.12 135.64 6.05 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.692 -1.363 . . . . 0.45000000000000001 109.692 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 tpt180 -80.26 -51.64 8.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 3.0800000000000001 109.531 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.5 -44.7 85.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 2.54 109.638 -179.705 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.454 ' NH1' HD12 ' A' ' 348' ' ' LEU . 9.0 tpp180 -63.14 -44.84 94.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.349 -0.844 . . . . 4.1100000000000003 109.683 179.941 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -53.67 -49.9 66.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.56999999999999995 109.404 -179.936 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 20.7 mt-10 -52.6 -39.85 62.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 1.6599999999999999 109.897 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.17 -45.47 93.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.289 -0.882 . . . . 1.29 110.245 -179.294 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -61.35 -53.43 56.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.155 -0.966 . . . . 0.40000000000000002 109.272 -179.89 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.78 -38.94 51.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 3.8500000000000001 109.767 -179.952 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.85 -44.9 96.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 1.78 109.879 -179.687 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.04 -44.84 95.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 1.1699999999999999 109.541 -179.717 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.09 -43.68 87.2 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.255 -0.903 . . . . 1.2 109.697 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.15 -39.02 93.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.28 -0.887 . . . . 2.1200000000000001 109.901 -179.665 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.64 76.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 1.0700000000000001 109.973 -179.694 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.468 HD12 ' NH1' ' A' ' 337' ' ' ARG . 44.4 mt -61.52 -43.85 98.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.872 . . . . 1.1399999999999999 109.567 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.73 -36.32 76.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 2.0899999999999999 109.698 -179.941 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.51 HD22 ' NE2' ' D' ' 354' ' ' GLN . 8.8 tp -64.74 -45.61 85.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 1.3799999999999999 109.645 -179.785 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -41.6 97.17 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.35 -0.844 . . . . 2.6800000000000002 109.122 179.932 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.21 -32.35 66.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.611 -0.681 . . . . 1.3400000000000001 109.665 179.703 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.8 88.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 1.3 109.786 -179.678 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.8 109.629 -179.849 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.273 0.559 . . . . 1.6699999999999999 109.702 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -94.89 155.97 16.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 1.01 109.104 179.48 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.3 m-85 -138.49 -168.95 2.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.63 109.802 -179.718 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 16.4 p -154.97 158.33 39.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 1.1299999999999999 109.336 179.987 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.9 tp -147.89 128.77 14.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 1.1000000000000001 109.438 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.42 34.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.601 -179.885 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.97 119.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.897 . . . . 1.1499999999999999 109.32 179.694 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.56 149.75 41.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 2.77 109.52 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.09 135.63 6.03 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.688 -1.365 . . . . 0.42999999999999999 109.688 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 tpt180 -80.27 -51.62 8.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -1.17 . . . . 3.1200000000000001 109.511 179.953 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.51 -44.59 85.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.669 -179.676 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' B' ' 348' ' ' LEU . 9.0 tpp180 -63.36 -44.77 93.86 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.282 -0.886 . . . . 3.5 109.597 179.979 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' B' ' 329' ' ' THR . 59.2 t80 -53.64 -49.93 66.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.381 -0.824 . . . . 0.5 109.411 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 20.7 mt-10 -52.73 -39.74 62.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.269 -0.894 . . . . 1.6899999999999999 109.854 -179.877 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.15 -45.46 93.33 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 110.242 -179.395 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -61.51 -53.23 59.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.32000000000000001 109.317 -179.881 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.85 -38.96 52.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.476 -0.765 . . . . 2.96 109.725 179.985 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.89 -44.79 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.18 -0.95 . . . . 1.75 109.956 -179.686 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.05 -44.85 95.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.171 -0.956 . . . . 1.0800000000000001 109.527 -179.808 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -58.25 -43.58 87.9 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.276 -0.89 . . . . 1.22 109.649 -179.862 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -39.01 93.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 1.73 109.91 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.62 76.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 109.899 -179.604 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 43.9 mt -61.45 -43.74 98.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 1.1100000000000001 109.612 -179.706 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.95 -36.24 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 1.9099999999999999 109.582 -179.856 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.63 -45.67 85.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 1.1699999999999999 109.722 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 2.1499999999999999 109.096 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.21 -32.39 66.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.478 -0.764 . . . . 1.4399999999999999 109.632 179.71 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.865 . . . . 1.3 109.845 -179.685 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.51 ' NE2' HD22 ' C' ' 350' ' ' LEU . 10.5 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 1.3999999999999999 109.608 -179.845 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.232 0.539 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -93.79 156.61 16.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 1.04 109.379 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -139.47 -172.79 3.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 109.463 179.802 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 2.4 p -153.22 160.99 42.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.21 -0.931 . . . . 1.1399999999999999 109.476 -179.84 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' C' ' 329' ' ' THR . 20.9 tp -147.75 126.82 12.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 1.0900000000000001 109.507 -179.826 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.8 126.84 34.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.3700000000000001 109.427 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.82 117.84 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 1.1499999999999999 109.663 179.957 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.43 151.08 39.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 2.79 109.513 179.858 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.32 133.23 7.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.833 -1.307 . . . . 0.45000000000000001 109.833 179.764 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.5 ttp180 -75.89 -60.09 2.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.08 . . . . 3.1600000000000001 109.491 179.858 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 24.2 pt-20 -59.01 -40.81 86.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 2.2200000000000002 109.671 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.23 -47.95 83.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.291 -0.881 . . . . 3.54 109.543 -179.916 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' C' ' 329' ' ' THR . 48.8 t80 -55.49 -47.82 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.413 -0.804 . . . . 0.5 109.595 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.39 -37.01 46.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.976 -179.761 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -62.62 -46.99 85.69 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.1499999999999999 109.907 -179.4 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.22 -51.91 67.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.34000000000000002 109.328 -179.974 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.53 -38.69 46.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.541 -0.725 . . . . 2.9399999999999999 109.774 179.933 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.61 -49.85 75.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.034 -1.041 . . . . 1.74 109.736 -179.754 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.54 -33.52 73.97 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 108.948 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.34 -53.63 56.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 1.22 109.632 179.815 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' HE3' ' B' ' 351' ' ' LYS . 0.9 OUTLIER -62.59 -34.29 76.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.432 -0.793 . . . . 1.72 109.892 -179.565 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.82 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 110.075 -179.625 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.503 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 51.0 mt -61.61 -43.06 99.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -0.914 . . . . 1.0800000000000001 109.793 -179.536 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -59.86 -37.73 80.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.827 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.08 -44.93 90.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 1.1499999999999999 109.775 -179.729 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -61.98 -40.31 95.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.371 -0.831 . . . . 2.1400000000000001 109.182 -179.959 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.43 -33.18 65.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.587 -0.696 . . . . 1.4299999999999999 109.633 179.885 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.73 64.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 1.3 109.544 -179.956 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.635 179.983 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.272 0.558 . . . . 1.6100000000000001 109.618 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.66 156.72 16.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.293 -0.879 . . . . 0.96999999999999997 109.404 179.922 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.4 m-85 -139.66 -172.83 3.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.59999999999999998 109.359 179.928 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 2.4 p -153.24 160.98 42.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 1.1000000000000001 109.502 -179.739 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' D' ' 329' ' ' THR . 20.8 tp -147.82 126.83 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 1.1000000000000001 109.503 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 26.4 tt0 -86.81 126.91 34.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.312 -0.867 . . . . 1.3600000000000001 109.405 179.952 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.83 117.8 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.165 -0.959 . . . . 1.1699999999999999 109.626 -179.984 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -74.42 151.12 39.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 2.79 109.457 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.28 133.14 7.19 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.774 -1.33 . . . . 0.47999999999999998 109.774 179.666 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 38.6 ttp180 -75.86 -60.08 2.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -1.15 . . . . 3.2200000000000002 109.501 179.899 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 24.1 pt-20 -58.98 -40.75 85.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.357 -0.84 . . . . 2.21 109.614 179.968 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -47.95 83.85 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.364 -0.835 . . . . 3.5499999999999998 109.53 -179.86 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.1 t80 -55.36 -47.89 75.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.421 -0.799 . . . . 0.52000000000000002 109.662 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.35 -37.03 45.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.36 -0.837 . . . . 1.6799999999999999 110.008 -179.772 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.63 -46.91 86.06 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.177 -0.952 . . . . 1.1499999999999999 109.934 -179.392 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.25 -51.91 66.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.33000000000000002 109.326 -179.982 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.59 -38.64 46.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -0.809 . . . . 3.02 109.786 179.967 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.65 -49.79 76.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 1.75 109.806 -179.844 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.51 -33.55 74.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.19 -0.943 . . . . 1.0700000000000001 108.979 179.762 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -59.39 -53.58 56.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.579 -0.7 . . . . 1.21 109.627 179.782 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -34.23 76.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.878 -179.54 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.88 79.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.188 -0.945 . . . . 1.0600000000000001 110.052 -179.639 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 50.6 mt -61.51 -43.23 99.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.746 -179.534 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.81 -37.78 80.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 1.9299999999999999 109.828 -179.836 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.05 -44.97 90.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.1399999999999999 109.809 -179.787 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 346' ' ' GLU . 13.6 ttmm -61.89 -40.39 95.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 2.1899999999999999 109.181 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.38 -33.2 65.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.399 -0.813 . . . . 1.4299999999999999 109.575 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.78 64.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 1.3100000000000001 109.437 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.318 -0.864 . . . . 1.3999999999999999 109.675 -179.909 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.238 0.542 . . . . 2.1099999999999999 109.552 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.8 156.7 16.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 1.01 109.366 179.903 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.1 m-85 -139.58 -172.85 3.46 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.179 -0.951 . . . . 0.57999999999999996 109.415 179.938 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 2.4 p -153.29 160.92 42.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.1599999999999999 109.481 -179.832 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 329' ' ' THR . 20.8 tp -147.71 126.81 12.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 1.1699999999999999 109.514 -179.847 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.7 126.73 34.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.856 . . . . 1.8100000000000001 109.503 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.411 HD11 ' HB2' ' C' ' 341' ' ' PHE . 42.1 mt -123.71 117.92 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 109.693 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.48 151.08 39.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.374 -0.828 . . . . 2.8199999999999998 109.531 179.856 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.38 133.24 7.26 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.825 -1.31 . . . . 0.45000000000000001 109.825 179.723 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.5 ttp180 -75.94 -60.03 2.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -1.103 . . . . 3.0800000000000001 109.511 179.856 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.09 -40.68 86.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 2.54 109.655 -179.988 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.35 -47.94 83.91 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.247 -0.908 . . . . 4.1100000000000003 109.465 -179.89 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.0 t80 -55.46 -47.83 75.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.56999999999999995 109.601 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.39 -37.04 46.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.85 . . . . 1.6599999999999999 109.996 -179.762 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.67 -46.78 86.58 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.17 -0.956 . . . . 1.29 110.014 -179.38 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' HB2' HD11 ' C' ' 332' ' ' ILE . 27.4 m-85 -61.35 -51.8 67.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.205 -0.934 . . . . 0.40000000000000002 109.378 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.63 -38.54 46.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.437 -0.789 . . . . 3.8500000000000001 109.742 179.951 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.8 -49.83 76.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 1.78 109.677 -179.728 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.49 -33.57 74.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.977 . . . . 1.1699999999999999 108.93 179.827 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.21 -53.7 55.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.404 -0.81 . . . . 1.2 109.738 179.678 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -34.24 76.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.465 -0.772 . . . . 2.1200000000000001 109.873 -179.539 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.89 79.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 110.063 -179.612 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 51.3 mt -61.48 -43.25 99.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.903 . . . . 1.1399999999999999 109.785 -179.594 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.82 -37.67 79.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 2.0899999999999999 109.81 -179.814 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.16 -44.98 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 1.3799999999999999 109.725 -179.737 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 13.6 ttmm -61.8 -40.48 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.385 -0.822 . . . . 2.6800000000000002 109.241 179.978 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.29 -33.25 65.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.393 -0.817 . . . . 1.3400000000000001 109.68 179.809 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 1.3 109.477 -179.907 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.368 -0.832 . . . . 1.8 109.697 -179.972 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.281 0.562 . . . . 1.6699999999999999 109.525 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -93.8 156.63 16.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 1.01 109.423 179.916 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.53 -172.8 3.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.897 . . . . 0.63 109.346 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 2.5 p -153.29 160.97 42.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 1.1299999999999999 109.428 -179.75 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.9 tp -147.8 126.75 12.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 1.1000000000000001 109.533 -179.871 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.78 126.85 34.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.3700000000000001 109.395 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' D' ' 341' ' ' PHE . 42.9 mt -123.75 117.77 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.133 -0.979 . . . . 1.1499999999999999 109.684 179.935 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.36 151.05 39.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.42 -0.8 . . . . 2.77 109.547 179.805 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.45 133.27 7.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.772 -1.331 . . . . 0.42999999999999999 109.772 179.695 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.7 ttp180 -75.94 -60.11 2.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -1.15 . . . . 3.1200000000000001 109.479 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.07 -40.73 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 2.2200000000000002 109.602 -179.925 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.31 -48.04 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.283 -0.885 . . . . 3.5 109.456 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.31 -47.91 74.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -0.828 . . . . 0.5 109.634 179.97 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.34 -37.09 46.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.858 . . . . 1.6899999999999999 110.04 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.49 -47.03 85.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.14 -0.975 . . . . 1.1399999999999999 109.997 -179.467 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' D' ' 332' ' ' ILE . 27.4 m-85 -61.25 -51.9 67.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.32000000000000001 109.333 -179.956 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.5 -38.63 45.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.523 -0.736 . . . . 2.96 109.757 179.94 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.77 -49.78 76.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.75 109.723 -179.692 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.39 -33.61 73.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 108.976 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.35 -53.6 56.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.391 -0.818 . . . . 1.22 109.712 179.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . 0.455 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 0.9 OUTLIER -62.53 -34.39 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.835 . . . . 1.73 109.942 -179.612 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.9 79.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 110.056 -179.593 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.477 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 50.5 mt -61.45 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 1.1100000000000001 109.785 -179.604 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.82 -37.66 79.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.82 -179.85 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.17 -44.98 90.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 1.1699999999999999 109.76 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' D' ' 351' ' ' LYS . 13.6 ttmm -61.86 -40.42 95.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 2.1499999999999999 109.214 179.987 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.26 -33.28 65.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.521 -0.737 . . . . 1.4399999999999999 109.694 179.777 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.85 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 1.3 109.512 -179.952 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.3999999999999999 109.748 -179.949 . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.389 0.614 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.02 152.91 19.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.04 109.488 -179.893 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.4 m-85 -137.69 -168.44 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.918 . . . . 0.65000000000000002 109.493 -179.964 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.5 p -153.36 158.94 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.939 . . . . 1.1399999999999999 109.464 -179.919 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.1 tp -148.06 131.43 16.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 1.0900000000000001 109.389 -179.752 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 22.9 tt0 -86.26 131.24 34.27 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.178 -0.951 . . . . 1.3700000000000001 109.504 -179.943 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.55 HG22 ' CD2' ' A' ' 341' ' ' PHE . 35.5 mt -123.76 118.76 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.129 -0.982 . . . . 1.1499999999999999 109.342 179.728 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.94 147.94 44.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.92 . . . . 2.79 109.467 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.55 138.27 9.58 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.67 -1.372 . . . . 0.45000000000000001 109.67 179.956 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.7 ttt180 -82.83 -59.22 2.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 3.1600000000000001 109.61 179.907 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.4 82.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.481 179.894 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 6.9 tpp180 -62.31 -44.59 96.16 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.356 -0.84 . . . . 3.54 109.243 179.82 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' C' ' 329' ' ' THR . 64.9 t80 -55.27 -48.69 73.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.327 -0.858 . . . . 0.5 109.502 -179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.55 -38.1 52.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 109.97 -179.593 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.64 87.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 110.063 -179.173 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.55 ' CD2' HG22 ' A' ' 332' ' ' ILE . 20.4 m-85 -60.86 -48.17 83.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 0.34000000000000002 109.278 179.885 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.88 -43.38 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.434 -0.791 . . . . 2.9399999999999999 109.662 179.879 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.28 -40.74 91.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.9 . . . . 1.74 110.044 -179.467 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.2 mt -62.99 -45.56 91.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.542 -179.758 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -58.31 -46.38 86.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.276 -0.89 . . . . 1.22 109.838 -179.853 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -37.21 84.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.72 109.876 -179.673 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -49.72 76.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 110.006 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.484 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 56.4 mt -61.08 -44.12 97.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 1.0800000000000001 109.751 -179.571 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.02 -37.43 76.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 1.9099999999999999 109.642 -179.971 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.65 -40.44 95.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.315 -0.866 . . . . 1.1499999999999999 109.651 -179.916 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -46.99 85.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.374 -0.829 . . . . 2.1400000000000001 109.448 -179.897 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.45 -32.83 65.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.489 -0.757 . . . . 1.4299999999999999 110.029 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.11 84.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 1.3 109.708 -179.526 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 1.4199999999999999 109.847 -179.809 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.488 -0.56 . . . . 1.6100000000000001 109.488 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -93.1 153.02 18.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.96999999999999997 109.506 -179.902 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -137.7 -168.38 2.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.59999999999999998 109.484 -179.968 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.3 p -153.44 158.9 42.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.263 -0.898 . . . . 1.1000000000000001 109.459 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.0 tp -147.97 131.54 16.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 109.351 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 22.9 tt0 -86.35 131.17 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 109.517 -179.989 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.544 HG22 ' CD2' ' B' ' 341' ' ' PHE . 36.8 mt -123.77 118.88 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 1.1699999999999999 109.269 179.737 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.98 147.94 44.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.253 -0.904 . . . . 2.79 109.484 179.9 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.57 138.14 9.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.621 -1.392 . . . . 0.47999999999999998 109.621 179.988 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.8 ttt180 -82.77 -59.18 2.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.188 -1.184 . . . . 3.2200000000000002 109.525 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.27 -39.16 82.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.374 -0.829 . . . . 2.21 109.435 179.989 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.459 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 6.8 tpp180 -62.51 -44.49 96.24 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.376 -0.828 . . . . 3.5499999999999998 109.19 179.835 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' D' ' 329' ' ' THR . 64.7 t80 -55.29 -48.77 73.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 0.52000000000000002 109.473 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.14 52.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.828 . . . . 1.6799999999999999 110.045 -179.648 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.66 87.56 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.212 -0.93 . . . . 1.1499999999999999 110.092 -179.207 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.544 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.2 m-85 -60.87 -48.17 83.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.33000000000000002 109.245 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.86 -43.32 59.39 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.411 -0.806 . . . . 3.02 109.736 179.874 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.35 -40.83 92.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 1.75 109.964 -179.477 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.93 -45.5 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 1.0700000000000001 109.601 -179.765 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.38 -46.53 86.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.274 -0.891 . . . . 1.21 109.729 -179.878 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.19 84.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 1.6899999999999999 109.876 -179.624 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.61 76.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 1.0600000000000001 110.002 -179.646 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.3 mt -61.05 -44.21 97.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 1.0800000000000001 109.78 -179.608 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -59.03 -37.33 76.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.88 . . . . 1.9299999999999999 109.609 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.405 ' CD1' ' NE2' ' A' ' 354' ' ' GLN . 11.7 tp -64.72 -40.45 95.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 109.577 -179.875 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -46.93 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.414 -0.803 . . . . 2.1899999999999999 109.439 -179.905 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.53 -32.78 65.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.488 -0.757 . . . . 1.4299999999999999 110.045 -179.784 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.23 84.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 1.3100000000000001 109.699 -179.629 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.3999999999999999 109.887 -179.778 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.426 -0.583 . . . . 2.1099999999999999 109.426 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.16 152.92 18.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.01 109.45 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -137.73 -168.48 2.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.278 -0.889 . . . . 0.57999999999999996 109.433 -179.923 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.457 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.5 p -153.28 158.98 42.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 1.1599999999999999 109.427 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.1 tp -148.04 131.34 16.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.359 -179.763 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 22.9 tt0 -86.24 131.19 34.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 1.8100000000000001 109.537 179.976 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' C' ' 341' ' ' PHE . 35.2 mt -123.63 118.73 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 1.1299999999999999 109.342 179.759 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.93 147.94 44.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.325 -0.86 . . . . 2.8199999999999998 109.459 179.995 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.54 138.22 9.56 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.615 -1.394 . . . . 0.45000000000000001 109.615 179.907 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.575 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.8 ttt180 -82.82 -59.16 2.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -1.133 . . . . 3.0800000000000001 109.62 179.951 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.11 -39.51 82.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.372 -0.83 . . . . 2.54 109.407 179.925 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 6.9 tpp180 -62.2 -44.58 96.25 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.335 -0.853 . . . . 4.1100000000000003 109.267 179.823 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.9 t80 -55.37 -48.63 73.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.311 -0.868 . . . . 0.56999999999999995 109.517 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.61 -38.11 53.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.903 -179.59 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.4 -46.68 87.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.23 -0.919 . . . . 1.29 110.074 -179.183 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.548 ' CD2' HG22 ' C' ' 332' ' ' ILE . 20.2 m-85 -60.81 -48.23 82.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.12 -0.988 . . . . 0.40000000000000002 109.296 179.888 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.91 -43.19 59.87 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.49 -0.756 . . . . 3.8500000000000001 109.757 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.47 -40.74 92.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 1.78 109.971 -179.527 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.94 -45.57 91.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.039 -1.038 . . . . 1.1699999999999999 109.576 -179.758 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.25 -46.52 85.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.2 109.833 -179.92 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.01 -37.27 84.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.269 -0.895 . . . . 2.1200000000000001 109.866 -179.641 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.7 76.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.871 . . . . 1.0700000000000001 109.925 -179.564 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 56.5 mt -61.08 -44.17 97.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.689 -179.516 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -59.0 -37.45 76.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 2.0899999999999999 109.636 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.61 -40.53 95.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 1.3799999999999999 109.59 -179.885 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -46.85 86.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.6800000000000002 109.485 -179.931 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.604 -0.685 . . . . 1.3400000000000001 110.087 -179.785 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.07 83.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.895 . . . . 1.3 109.742 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 1.8 109.875 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 1.6699999999999999 109.472 . . . . . . . . . 0 0 . 1 . 068 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -93.05 152.92 19.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.87 . . . . 1.01 109.5 -179.96 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.7 m-85 -137.63 -168.37 2.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 0.63 109.458 -179.95 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -153.45 158.76 41.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 1.1299999999999999 109.454 -179.851 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -147.88 131.6 16.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 1.1000000000000001 109.406 -179.775 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 22.9 tt0 -86.46 131.24 34.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 1.3700000000000001 109.432 -179.974 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.544 HG22 ' CD2' ' D' ' 341' ' ' PHE . 36.2 mt -123.83 118.82 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -0.912 . . . . 1.1499999999999999 109.256 179.77 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 147.84 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.907 . . . . 2.77 109.445 179.97 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.61 138.14 9.53 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.674 -1.37 . . . . 0.42999999999999999 109.674 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.8 ttt180 -82.8 -59.19 2.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -1.148 . . . . 3.1200000000000001 109.529 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.34 81.88 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.382 -0.824 . . . . 2.2200000000000002 109.478 179.905 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -44.52 96.2 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.454 -0.778 . . . . 3.5 109.216 179.842 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.35 -48.74 73.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.5 109.456 -179.986 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.16 52.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.94 -179.594 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.56 -46.52 87.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 110.066 -179.159 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.544 ' CD2' HG22 ' D' ' 332' ' ' ILE . 20.0 m-85 -60.93 -48.18 83.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.135 -0.978 . . . . 0.32000000000000001 109.21 179.85 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.9 -43.41 59.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.543 -0.723 . . . . 2.96 109.62 179.922 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.23 -40.85 91.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 1.75 109.97 -179.464 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.95 -45.58 91.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 1.0800000000000001 109.574 -179.755 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -58.26 -46.56 85.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 1.22 109.756 -179.849 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -37.2 83.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 1.73 109.861 -179.586 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.77 76.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.925 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.459 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 57.3 mt -61.12 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 1.1100000000000001 109.68 -179.533 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.11 -37.39 77.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.9099999999999999 109.556 -179.879 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.69 -40.44 95.39 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.62 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -46.84 86.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 2.1499999999999999 109.44 -179.934 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.65 -32.8 65.72 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.56 -0.713 . . . . 1.4399999999999999 109.934 -179.678 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.21 84.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 1.3 109.759 -179.608 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.893 -179.852 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.277 0.56 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.05 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.914 . . . . 1.04 109.447 179.871 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.66 -171.44 3.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.65000000000000002 109.474 -179.871 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.3 p -152.62 160.95 43.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 1.1399999999999999 109.625 -179.799 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.52 128.57 13.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 1.0900000000000001 109.618 -179.944 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 38.6 tt0 -86.92 126.57 34.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.3700000000000001 109.473 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -123.87 117.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 109.481 179.838 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.75 149.5 41.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 2.79 109.486 179.908 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.56 134.23 7.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.734 -1.346 . . . . 0.45000000000000001 109.734 179.754 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.3 ttp180 -78.69 -57.35 3.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -1.134 . . . . 3.1600000000000001 109.583 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -44.44 91.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 2.2200000000000002 109.543 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.88 -46.14 91.8 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.358 -0.839 . . . . 3.54 109.639 -179.742 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.2 t80 -54.93 -54.92 36.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.5 109.692 -179.837 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -50.29 -36.38 31.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.89 . . . . 1.6599999999999999 109.963 -179.628 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.72 -47.25 84.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.117 -0.989 . . . . 1.1499999999999999 109.954 -179.452 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' C' ' 345' ' ' ASN . 21.9 m-85 -61.32 -53.03 61.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.91 . . . . 0.34000000000000002 109.267 179.942 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.441 ' CG ' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.88 -36.33 37.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 2.9399999999999999 109.56 179.954 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.97 -45.15 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 1.74 109.898 -179.837 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.83 -43.68 98.37 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.569 -179.775 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.456 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 47.5 t30 -57.88 -44.43 86.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.879 . . . . 1.22 109.569 179.86 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.25 91.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.365 -0.835 . . . . 1.72 109.663 -179.825 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.36 88.43 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.934 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 19.5 mt -61.5 -45.15 95.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 1.0800000000000001 109.777 -179.765 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.56 -36.76 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.9099999999999999 109.737 -179.904 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 19.6 tp -63.69 -43.1 97.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 1.1499999999999999 109.497 -179.91 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.8 -50.09 73.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.1400000000000001 108.743 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.9 -28.36 64.14 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.647 -0.658 . . . . 1.4299999999999999 109.483 179.533 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.66 85.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.458 -0.776 . . . . 1.3 109.789 -179.463 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.424 ' NE2' HD12 ' B' ' 350' ' ' LEU . 15.4 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.4199999999999999 109.513 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.304 0.573 . . . . 1.6100000000000001 109.547 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.06 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.182 -0.949 . . . . 0.96999999999999997 109.499 179.89 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 82.4 m-85 -139.67 -171.49 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.59999999999999998 109.571 -179.894 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.0 p -152.58 161.04 43.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.137 -0.977 . . . . 1.1000000000000001 109.564 -179.787 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.4 tp -148.63 128.55 13.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.1000000000000001 109.468 -179.833 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 38.7 tt0 -86.93 126.52 34.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 1.3600000000000001 109.521 179.954 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.89 117.58 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.465 179.888 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.72 149.45 41.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.194 -0.941 . . . . 2.79 109.575 179.889 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.33 7.74 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.773 -1.331 . . . . 0.47999999999999998 109.773 179.831 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.3 ttp180 -78.76 -57.38 3.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -1.11 . . . . 3.2200000000000002 109.634 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.76 -44.37 90.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.359 -0.838 . . . . 2.21 109.653 179.987 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.529 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.94 -46.11 92.0 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.295 -0.878 . . . . 3.5499999999999998 109.647 -179.736 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.7 t80 -55.12 -54.81 38.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.46 -0.775 . . . . 0.52000000000000002 109.646 -179.779 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -50.31 -36.35 31.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.386 -0.821 . . . . 1.6799999999999999 109.922 -179.6 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.75 -47.31 84.11 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.17 -0.956 . . . . 1.1499999999999999 109.883 -179.436 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.32 -53.14 60.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.139 -0.976 . . . . 0.33000000000000002 109.22 -179.993 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.462 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.67 -36.49 35.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.306 -0.871 . . . . 3.02 109.574 179.836 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.85 -45.25 95.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.771 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.81 -43.75 98.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 1.0700000000000001 109.442 -179.718 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -57.8 -44.49 86.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.288 -0.882 . . . . 1.21 109.584 179.865 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -39.04 91.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.41 -0.806 . . . . 1.6899999999999999 109.662 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.33 88.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.959 -179.786 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 19.6 mt -61.53 -45.02 95.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.319 -0.863 . . . . 1.0800000000000001 109.725 -179.732 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.79 -36.65 77.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 109.672 -179.809 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.495 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 19.8 tp -63.7 -43.19 97.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.468 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.7 -50.08 73.88 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.279 -0.888 . . . . 2.1899999999999999 108.854 179.629 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.91 -28.37 64.18 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.384 179.52 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.65 85.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 1.3100000000000001 109.832 -179.418 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 1.3999999999999999 109.443 179.993 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.23 0.538 . . . . 2.1099999999999999 109.61 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.14 159.19 15.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.884 . . . . 1.01 109.473 179.938 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 82.3 m-85 -139.64 -171.47 3.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.57999999999999996 109.506 -179.877 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.1 p -152.64 160.96 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.181 -0.949 . . . . 1.1599999999999999 109.566 -179.808 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -148.5 128.58 13.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.187 -0.946 . . . . 1.1699999999999999 109.514 -179.827 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 38.7 tt0 -86.96 126.58 34.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.314 -0.866 . . . . 1.8100000000000001 109.47 179.959 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.2 mt -123.89 117.56 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 1.1299999999999999 109.558 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.67 149.46 41.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 2.8199999999999998 109.524 179.913 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.27 7.72 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.765 -1.334 . . . . 0.45000000000000001 109.765 179.813 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.3 ttp180 -78.71 -57.36 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.224 -1.162 . . . . 3.0800000000000001 109.674 179.929 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.8 -44.43 90.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 2.54 109.55 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.96 -46.08 92.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.265 -0.897 . . . . 4.1100000000000003 109.634 -179.65 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.06 -54.76 38.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.56999999999999995 109.783 -179.905 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -50.34 -36.33 31.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 1.6599999999999999 109.996 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.81 -47.2 84.46 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.139 -0.975 . . . . 1.29 109.942 -179.459 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 345' ' ' ASN . 22.0 m-85 -61.26 -53.17 60.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.40000000000000002 109.232 179.916 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.459 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.76 -36.45 36.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.398 -0.814 . . . . 3.8500000000000001 109.659 179.902 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.19 95.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.78 109.886 -179.801 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.1 mt -61.81 -43.69 98.35 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 1.1699999999999999 109.525 -179.82 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 341' ' ' PHE . 47.6 t30 -57.98 -44.29 87.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 1.2 109.545 179.903 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -39.1 91.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.217 -0.927 . . . . 2.1200000000000001 109.735 -179.915 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.37 88.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 1.0700000000000001 109.905 -179.748 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 19.6 mt -61.55 -44.99 96.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.189 -0.944 . . . . 1.1399999999999999 109.754 -179.682 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.68 -36.73 77.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 2.0899999999999999 109.753 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 19.5 tp -63.65 -43.34 97.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.947 . . . . 1.3799999999999999 109.425 -179.914 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.64 -50.08 73.96 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.352 -0.842 . . . . 2.6800000000000002 108.867 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.88 -28.28 64.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.502 0.667 . . . . 1.3400000000000001 109.533 179.48 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 1.3 109.838 -179.515 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.067 -1.021 . . . . 1.8 109.462 179.951 . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.264 0.554 . . . . 1.6699999999999999 109.522 . . . . . . . . . 0 0 . 1 . 069 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 7.3 m-85 -94.18 159.14 15.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 1.01 109.421 179.936 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 82.3 m-85 -139.69 -171.5 3.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.63 109.571 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.0 p -152.62 160.9 43.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 1.1299999999999999 109.562 -179.744 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.3 tp -148.5 128.73 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.338 -0.851 . . . . 1.1000000000000001 109.429 -179.841 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 38.8 tt0 -87.01 126.56 34.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.181 -0.949 . . . . 1.3700000000000001 109.471 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.93 117.46 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.125 -0.985 . . . . 1.1499999999999999 109.476 179.902 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.61 149.43 42.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 2.77 109.512 179.912 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.47 134.19 7.67 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.72 -1.352 . . . . 0.42999999999999999 109.72 179.75 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.3 ttp180 -78.6 -57.32 3.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -1.112 . . . . 3.1200000000000001 109.65 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.82 -44.25 90.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 2.2200000000000002 109.666 -179.926 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.525 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -61.07 -46.03 92.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 3.5 109.705 -179.799 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.1 t80 -55.06 -54.89 37.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.801 . . . . 0.5 109.669 -179.924 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -50.32 -36.28 31.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.6899999999999999 109.965 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.78 -47.38 83.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.007 -1.058 . . . . 1.1399999999999999 109.824 -179.451 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.22 -53.19 59.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.32000000000000001 109.202 -179.988 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.73 -36.4 36.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 2.96 109.575 179.964 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.27 95.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 1.75 109.821 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 27.4 mt -61.84 -43.65 98.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.478 -179.711 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.93 -44.45 86.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 1.22 109.525 179.92 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -39.18 91.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 1.73 109.762 -179.884 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.37 88.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 109.902 -179.715 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 19.6 mt -61.47 -45.08 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 1.1100000000000001 109.768 -179.707 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.66 -36.72 76.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.749 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.439 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 19.6 tp -63.65 -43.24 97.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 109.448 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.74 -50.01 74.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 2.1499999999999999 108.87 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.98 -28.19 64.16 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 1.4399999999999999 109.55 179.457 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.7 85.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 1.3 109.86 -179.567 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.971 . . . . 1.3999999999999999 109.46 179.999 . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.132 -0.692 . . . . 1.7 109.132 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -95.97 149.03 22.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.123 -0.986 . . . . 1.04 109.994 -179.81 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.7 m-85 -137.8 -168.89 2.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.398 -0.814 . . . . 0.65000000000000002 109.361 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 65.3 p -154.18 158.98 41.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.213 -0.929 . . . . 1.1399999999999999 109.621 -179.937 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 9.6 tp -147.1 128.97 15.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.206 -0.934 . . . . 1.0900000000000001 109.515 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.38 129.77 34.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.283 -0.885 . . . . 1.3700000000000001 109.634 -179.949 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' A' ' 341' ' ' PHE . 46.0 mt -123.5 120.45 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 1.1499999999999999 109.439 179.677 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.48 41.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.211 -0.93 . . . . 2.79 109.787 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.22 138.91 4.57 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.742 -1.343 . . . . 0.45000000000000001 109.742 179.695 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.482 ' NH1' ' HG2' ' A' ' 335' ' ' ARG . 0.0 OUTLIER -79.2 -45.64 19.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.297 -1.119 . . . . 3.1600000000000001 109.495 179.925 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.77 -46.6 87.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 2.2200000000000002 109.424 179.951 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 6.6 tpp180 -61.29 -44.71 96.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.343 -0.848 . . . . 3.54 109.786 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' C' ' 329' ' ' THR . 24.0 t80 -54.94 -56.27 21.51 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.525 -0.734 . . . . 0.5 109.833 -179.77 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.85 -37.89 60.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.978 -179.642 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.7 -46.69 86.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.115 -179.328 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' HG22 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.36 -51.44 68.79 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.34000000000000002 109.401 -179.847 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 10.5 ttm180 -50.93 -37.74 46.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.391 -0.818 . . . . 2.9399999999999999 109.688 179.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.44 -46.39 90.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 1.74 110.054 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.65 -43.13 99.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.197 -0.94 . . . . 1.0700000000000001 109.651 -179.682 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.33 -46.54 86.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.296 -0.878 . . . . 1.22 109.7 -179.965 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.67 -37.23 85.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.72 109.879 -179.683 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.1 83.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 110.058 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 51.1 mt -61.56 -44.74 96.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 109.711 -179.675 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.31 -36.44 75.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 1.9099999999999999 109.458 179.97 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.455 HD23 ' NE2' ' B' ' 354' ' ' GLN . 15.7 tp -64.29 -41.34 96.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 109.454 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.512 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 1.1 ttmp? -62.32 -49.48 75.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 2.1400000000000001 109.054 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -56.93 -30.74 64.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.718 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.65 84.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.849 . . . . 1.3 109.961 -179.593 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.4199999999999999 109.807 -179.728 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.001 -0.741 . . . . 1.6100000000000001 109.001 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -95.93 149.24 21.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -0.966 . . . . 0.96999999999999997 109.901 -179.759 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.7 m-85 -138.05 -168.97 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.398 -0.814 . . . . 0.59999999999999998 109.294 179.887 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 65.5 p -154.22 158.84 40.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.197 -0.939 . . . . 1.1000000000000001 109.706 -179.789 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.6 tp -147.06 129.04 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 1.1000000000000001 109.488 -179.879 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 37.0 tt0 -87.31 129.85 34.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.848 . . . . 1.3600000000000001 109.68 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' B' ' 341' ' ' PHE . 46.4 mt -123.67 120.6 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 1.1699999999999999 109.358 179.656 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.8 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 2.79 109.717 -179.908 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.89 139.0 4.42 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.832 -1.307 . . . . 0.47999999999999998 109.832 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -79.29 -45.72 19.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -1.143 . . . . 3.2200000000000002 109.369 179.923 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.7 -46.6 86.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.862 . . . . 2.21 109.498 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 6.6 tpp180 -61.21 -44.76 96.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.325 -0.86 . . . . 3.5499999999999998 109.814 179.975 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 24.0 t80 -54.96 -56.2 22.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.475 -0.766 . . . . 0.52000000000000002 109.843 -179.738 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.94 -37.74 61.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.461 -0.774 . . . . 1.6799999999999999 110.025 -179.662 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.75 -46.57 87.45 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.228 -179.419 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 332' ' ' ILE . 28.4 m-85 -61.45 -51.48 68.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.33000000000000002 109.273 -179.834 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' D' ' 330' ' ' LEU . 10.5 ttm180 -51.02 -37.73 46.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 3.02 109.655 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.39 -46.32 90.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.75 110.112 -179.58 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.68 -43.14 99.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 109.663 -179.721 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.4 -46.44 86.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.21 109.688 -179.942 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.76 -37.18 85.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 1.6899999999999999 109.892 -179.734 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.1 83.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 1.0600000000000001 109.98 -179.744 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 50.9 mt -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 1.0800000000000001 109.799 -179.729 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.25 -36.46 75.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.386 -0.821 . . . . 1.9299999999999999 109.531 179.886 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.512 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 15.8 tp -64.2 -41.45 97.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.363 -0.836 . . . . 1.1399999999999999 109.475 179.982 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 1.1 ttmp? -62.31 -49.47 75.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.879 . . . . 2.1899999999999999 109.024 179.885 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -56.92 -30.74 64.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.485 -0.759 . . . . 1.4299999999999999 109.644 179.776 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.86 84.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 1.3100000000000001 109.973 -179.652 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.455 ' NE2' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.213 -0.93 . . . . 1.3999999999999999 109.814 -179.643 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.04 -0.726 . . . . 2.1099999999999999 109.04 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -96.09 149.21 21.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.028 . . . . 1.01 109.858 -179.702 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.9 m-85 -138.01 -168.97 2.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.57999999999999996 109.358 179.854 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.8 p -154.19 158.9 41.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 1.1599999999999999 109.616 -179.819 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tp -147.04 128.93 15.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.379 -0.825 . . . . 1.1699999999999999 109.557 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.3 129.85 34.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.394 -0.816 . . . . 1.8100000000000001 109.722 -179.95 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' C' ' 341' ' ' PHE . 46.5 mt -123.65 120.5 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 1.1299999999999999 109.388 179.753 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.28 151.45 41.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -0.937 . . . . 2.8199999999999998 109.759 -179.855 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.27 138.85 4.58 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.795 -1.322 . . . . 0.45000000000000001 109.795 179.686 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.498 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -79.13 -45.78 19.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -1.137 . . . . 3.0800000000000001 109.43 179.94 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.63 -46.69 86.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 2.54 109.473 179.964 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 6.6 tpp180 -61.2 -44.74 96.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.367 -0.833 . . . . 4.1100000000000003 109.8 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' A' ' 329' ' ' THR . 23.9 t80 -54.91 -56.35 20.48 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.522 -0.737 . . . . 0.56999999999999995 109.732 -179.716 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.88 -37.77 60.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.4 -0.813 . . . . 1.6599999999999999 110.005 -179.573 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.68 86.97 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.925 . . . . 1.29 110.129 -179.364 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.428 ' CD2' HG22 ' C' ' 332' ' ' ILE . 28.5 m-85 -61.45 -51.37 69.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.40000000000000002 109.358 -179.763 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 10.5 ttm180 -50.99 -37.74 46.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 3.8500000000000001 109.686 179.923 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.48 -46.23 90.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.266 -0.896 . . . . 1.78 110.129 -179.532 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.64 -43.32 99.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 1.1699999999999999 109.545 -179.724 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -46.46 85.94 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 1.2 109.743 -179.894 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.74 -37.29 86.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 2.1200000000000001 109.79 -179.649 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -48.02 83.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 110.052 -179.71 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 50.6 mt -61.53 -44.75 96.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.35 -0.844 . . . . 1.1399999999999999 109.772 -179.672 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.26 -36.49 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.175 -0.953 . . . . 2.0899999999999999 109.475 179.938 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.22 -41.42 97.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 1.3799999999999999 109.46 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.33 -49.32 76.06 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.422 -0.799 . . . . 2.6800000000000002 109.089 179.909 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.93 -30.92 64.44 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.62 -0.675 . . . . 1.3400000000000001 109.652 179.723 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.78 84.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.356 -0.84 . . . . 1.3 109.929 -179.583 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 1.8 109.855 -179.712 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.139 -0.689 . . . . 1.6699999999999999 109.139 . . . . . . . . . 0 0 . 1 . 070 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -95.89 149.36 21.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.95 -1.093 . . . . 1.01 109.881 -179.701 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 92.9 m-85 -138.05 -168.98 2.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.63 109.224 179.899 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.3 p -154.26 158.94 40.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.1299999999999999 109.634 -179.884 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -147.07 129.03 15.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 1.1000000000000001 109.478 -179.818 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 37.0 tt0 -87.34 129.86 34.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.3700000000000001 109.631 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' D' ' 341' ' ' PHE . 45.9 mt -123.68 120.59 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.14 -0.975 . . . . 1.1499999999999999 109.389 179.606 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -73.16 151.74 41.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 2.77 109.765 -179.915 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.94 138.95 4.43 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.764 -1.334 . . . . 0.42999999999999999 109.764 179.765 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 0.0 OUTLIER -79.21 -45.78 19.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -1.145 . . . . 3.1200000000000001 109.323 179.89 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.68 -46.58 86.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.37 -0.831 . . . . 2.2200000000000002 109.522 179.987 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 6.6 tpp180 -61.25 -44.86 96.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.295 -0.878 . . . . 3.5 109.754 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' O ' ' B' ' 329' ' ' THR . 24.0 t80 -54.79 -56.36 20.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.417 -0.802 . . . . 0.5 109.876 -179.748 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -52.78 -37.78 60.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.434 -0.791 . . . . 1.6899999999999999 110.089 -179.699 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.58 87.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 1.1399999999999999 110.214 -179.379 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.422 ' CD2' HG22 ' D' ' 332' ' ' ILE . 28.7 m-85 -61.49 -51.47 68.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.32000000000000001 109.326 -179.839 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.94 -37.61 45.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 2.96 109.722 179.976 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.46 -46.29 90.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.297 -0.877 . . . . 1.75 110.141 -179.582 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.71 -43.23 99.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 1.0800000000000001 109.661 -179.667 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.16 -46.52 85.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 1.22 109.748 179.925 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.77 -37.29 86.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 1.73 109.79 -179.607 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.12 82.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.357 -0.839 . . . . 1.0700000000000001 110.025 -179.759 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.423 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 51.7 mt -61.5 -44.68 96.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 1.1100000000000001 109.793 -179.689 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.36 -36.49 75.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.503 179.87 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.24 -41.42 96.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 1.1699999999999999 109.46 -179.987 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.26 -49.46 75.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.349 -0.844 . . . . 2.1499999999999999 109.044 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.91 -30.89 64.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.634 -0.666 . . . . 1.4399999999999999 109.622 179.762 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.67 84.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.3 109.963 -179.605 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.17 -0.956 . . . . 1.3999999999999999 109.804 -179.687 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.465 -0.568 . . . . 1.7 109.465 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.3 158.81 15.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 1.04 109.355 179.938 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.4 m-85 -139.72 -169.46 2.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.65000000000000002 109.523 -179.962 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -153.58 156.24 37.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.324 -0.86 . . . . 1.1399999999999999 109.377 -179.854 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 29.1 tp -149.67 135.4 18.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 1.0900000000000001 109.522 -179.733 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.85 134.23 33.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.3700000000000001 109.499 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.5 mt -124.05 111.4 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 1.1499999999999999 109.571 179.96 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.38 144.0 46.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 2.79 109.494 179.833 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.446 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 100.49 140.19 11.2 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.725 -1.35 . . . . 0.45000000000000001 109.725 179.809 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -79.82 -59.46 2.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -1.159 . . . . 3.1600000000000001 109.473 179.866 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.81 -42.4 89.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.387 -0.82 . . . . 2.2200000000000002 109.786 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 340' ' ' MET . 5.8 ttm180 -60.41 -44.09 96.06 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.364 -0.835 . . . . 3.54 109.94 -179.606 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.9 t80 -54.52 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.283 -0.886 . . . . 0.5 109.66 -179.791 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.6 -31.32 35.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 1.6599999999999999 109.985 -179.848 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.452 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 2.9 ttp -65.88 -50.2 65.36 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 109.756 -179.813 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.59 -52.57 64.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.34000000000000002 109.328 -179.941 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -50.66 -37.1 38.9 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 2.9399999999999999 109.633 179.824 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.74 -45.34 94.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 1.74 109.854 -179.823 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.91 -44.86 95.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 109.604 -179.762 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.56 -45.3 85.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.321 -0.862 . . . . 1.22 109.593 179.944 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.71 -36.29 82.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 1.72 109.515 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.5 73.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.799 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.13 -42.36 98.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.151 -0.968 . . . . 1.0800000000000001 109.601 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.301 -0.875 . . . . 1.9099999999999999 109.445 179.936 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.501 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 33.0 tp -63.9 -40.92 97.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.378 -0.826 . . . . 1.1499999999999999 109.369 179.958 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -50.34 72.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.837 -0.801 . . . . 2.1400000000000001 108.837 179.666 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -31.46 63.96 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.701 -0.625 . . . . 1.4299999999999999 109.562 179.706 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.99 79.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 1.3 109.44 -179.758 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.9 . . . . 1.4199999999999999 109.485 179.952 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.512 -0.551 . . . . 1.6100000000000001 109.512 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.27 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.96999999999999997 109.416 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 90.7 m-85 -139.7 -169.51 2.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.234 -0.916 . . . . 0.59999999999999998 109.571 -179.927 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 35.0 p -153.54 156.32 37.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.207 -0.933 . . . . 1.1000000000000001 109.397 -179.904 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' D' ' 329' ' ' THR . 28.7 tp -149.77 135.36 18.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.542 -179.689 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 35.4 tt0 -85.89 134.27 33.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.476 -179.945 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.01 111.41 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 1.1699999999999999 109.598 179.942 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.43 143.98 46.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 2.79 109.522 179.823 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 100.56 140.11 11.16 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.727 -1.349 . . . . 0.47999999999999998 109.727 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.502 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -79.75 -59.38 2.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -1.116 . . . . 3.2200000000000002 109.463 179.954 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.88 -42.48 89.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 2.21 109.726 -179.991 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 340' ' ' MET . 5.7 ttm180 -60.37 -44.02 95.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.302 -0.873 . . . . 3.5499999999999998 109.975 -179.556 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.46 -58.27 8.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.829 . . . . 0.52000000000000002 109.591 -179.819 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.46 -31.52 35.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 1.6799999999999999 109.859 -179.745 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 340' ' ' MET . . . . . 0.455 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 2.9 ttp -65.81 -50.19 65.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 109.724 -179.721 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.64 -52.6 64.46 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.255 -0.903 . . . . 0.33000000000000002 109.299 -179.871 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -50.67 -37.05 38.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.398 -0.814 . . . . 3.02 109.611 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.85 -45.13 95.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 1.75 109.957 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.96 -44.9 95.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 109.605 -179.866 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.49 -45.4 84.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.214 -0.929 . . . . 1.21 109.547 179.985 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -36.26 82.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 109.558 -179.885 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.32 74.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 1.0600000000000001 109.87 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.32 -42.32 98.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 1.0800000000000001 109.512 -179.645 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.54 -37.33 78.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.9299999999999999 109.467 179.885 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 33.4 tp -63.86 -40.99 97.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 1.1399999999999999 109.373 179.924 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.41 72.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.274 -0.891 . . . . 2.1899999999999999 108.799 179.719 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -31.5 63.82 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.729 -0.607 . . . . 1.4299999999999999 109.635 179.659 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.87 79.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.521 -179.825 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 1.3999999999999999 109.511 179.939 . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.483 -0.562 . . . . 2.1099999999999999 109.483 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -93.26 158.78 15.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 1.01 109.408 179.932 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.4 m-85 -139.68 -169.58 2.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.57999999999999996 109.513 -179.836 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.402 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 35.2 p -153.5 156.13 37.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.232 -0.918 . . . . 1.1599999999999999 109.41 -179.952 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 28.7 tp -149.52 135.54 18.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 109.657 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.98 134.16 33.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.955 . . . . 1.8100000000000001 109.454 -179.896 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.93 111.37 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.958 . . . . 1.1299999999999999 109.613 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.54 144.07 46.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.218 -0.926 . . . . 2.8199999999999998 109.445 179.889 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.452 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 100.5 140.13 11.17 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.776 -1.33 . . . . 0.45000000000000001 109.776 179.883 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.509 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -79.8 -59.32 2.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -1.159 . . . . 3.0800000000000001 109.511 179.885 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.94 -42.43 89.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 2.54 109.755 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' C' ' 340' ' ' MET . 5.7 ttm180 -60.3 -44.27 95.56 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 4.1100000000000003 109.875 -179.615 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.37 -58.25 8.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.247 -0.908 . . . . 0.56999999999999995 109.687 -179.699 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.4 -31.5 34.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 1.6599999999999999 109.98 -179.879 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 340' ' ' MET . . . . . 0.455 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 2.8 ttp -65.75 -50.2 65.63 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.29 -0.881 . . . . 1.29 109.681 -179.736 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.68 -52.54 64.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 109.333 -179.837 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -50.75 -37.03 39.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.397 -0.814 . . . . 3.8500000000000001 109.531 179.871 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.7 -45.34 94.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.206 -0.934 . . . . 1.78 109.889 -179.786 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.88 -44.9 95.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 1.1699999999999999 109.554 -179.746 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.58 -45.34 85.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 1.2 109.544 -179.959 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.69 -36.13 81.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.287 -0.883 . . . . 2.1200000000000001 109.582 -179.911 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.31 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 109.886 -179.864 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.2 -42.35 98.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.848 . . . . 1.1399999999999999 109.646 -179.785 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.5 -37.37 78.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.0899999999999999 109.456 179.903 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.457 HD12 ' NE2' ' D' ' 354' ' ' GLN . 33.2 tp -63.88 -40.93 97.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.3 -0.875 . . . . 1.3799999999999999 109.376 179.994 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -50.43 72.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.383 -0.823 . . . . 2.6800000000000002 108.889 179.602 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.685 -0.634 . . . . 1.3400000000000001 109.589 179.698 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.83 78.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.28 -0.888 . . . . 1.3 109.491 -179.776 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.4 ' NE2' HD12 ' D' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.903 . . . . 1.8 109.556 179.879 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.499 -0.556 . . . . 1.6699999999999999 109.499 . . . . . . . . . 0 0 . 1 . 071 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.26 158.79 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 1.01 109.338 179.975 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.5 m-85 -139.83 -169.6 2.75 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.17 -0.956 . . . . 0.63 109.553 -179.988 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 34.7 p -153.49 156.33 37.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 1.1299999999999999 109.379 -179.892 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' B' ' 329' ' ' THR . 28.7 tp -149.69 135.39 18.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.521 -179.639 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.87 134.18 33.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.32 -0.862 . . . . 1.3700000000000001 109.517 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -124.03 111.34 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 1.1499999999999999 109.592 179.961 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.36 144.04 46.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.241 -0.912 . . . . 2.77 109.487 179.843 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 100.54 140.16 11.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.734 -1.346 . . . . 0.42999999999999999 109.734 179.78 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -79.87 -59.35 2.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 3.1200000000000001 109.437 179.904 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.86 -42.53 89.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 2.2200000000000002 109.674 -179.956 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' D' ' 340' ' ' MET . 5.8 ttm180 -60.36 -44.11 95.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.217 -0.927 . . . . 3.5 109.814 -179.474 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.55 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.961 . . . . 0.5 109.611 -179.723 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.54 -31.4 35.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.6899999999999999 110.019 -179.821 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 340' ' ' MET . . . . . 0.452 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 2.9 ttp -65.91 -50.1 65.65 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.063 -1.023 . . . . 1.1399999999999999 109.66 -179.734 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.68 -52.63 64.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.32000000000000001 109.269 -179.881 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -50.62 -37.1 38.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.314 -0.866 . . . . 2.96 109.569 179.881 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.68 -45.3 94.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 1.75 109.881 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.99 -44.95 95.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.943 . . . . 1.0800000000000001 109.538 -179.659 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.44 -45.42 84.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 1.22 109.566 179.912 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.64 -36.22 82.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.432 -0.793 . . . . 1.73 109.557 -179.915 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.29 74.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 1.0700000000000001 109.904 -179.884 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.25 -42.31 98.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.848 . . . . 1.1100000000000001 109.625 -179.763 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.62 -37.16 77.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.9099999999999999 109.466 179.921 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 33.4 tp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.313 -0.867 . . . . 1.1699999999999999 109.325 -179.964 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -50.33 72.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.796 -0.816 . . . . 2.1499999999999999 108.796 179.677 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -31.38 64.06 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.609 -0.682 . . . . 1.4399999999999999 109.624 179.746 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.0 79.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.3 109.519 -179.9 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.457 ' NE2' HD12 ' C' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.3999999999999999 109.569 179.877 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.322 0.582 . . . . 1.7 109.461 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.82 154.43 17.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -0.915 . . . . 1.04 109.505 -179.92 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.6 m-85 -138.14 -169.39 2.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.164 -0.96 . . . . 0.65000000000000002 109.675 179.93 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 328' ' ' PHE . 1.2 p -154.0 157.5 39.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.226 -179.757 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.26 130.28 14.4 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.18 -0.95 . . . . 1.0900000000000001 109.388 -179.941 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.4 tt0 -86.61 132.76 33.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 1.3700000000000001 109.369 179.794 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.11 116.17 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.179 -0.951 . . . . 1.1499999999999999 109.555 179.768 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.04 42.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.482 -0.761 . . . . 2.79 109.174 179.671 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.77 134.72 7.48 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.754 -1.338 . . . . 0.45000000000000001 109.754 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -77.38 -63.35 1.39 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.243 -1.151 . . . . 3.1600000000000001 109.34 -179.924 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.13 -38.21 76.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.819 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.49 ' NH1' HD12 ' C' ' 348' ' ' LEU . 11.1 tpp180 -63.06 -46.1 89.05 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.236 -0.915 . . . . 3.54 109.548 -179.867 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.9 t80 -53.47 -51.05 63.98 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.313 -0.867 . . . . 0.5 109.677 -179.861 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -52.49 -39.21 60.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.31 -0.869 . . . . 1.6599999999999999 110.06 -179.735 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -61.89 -47.97 82.58 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.186 -0.946 . . . . 1.1499999999999999 110.232 -179.115 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' C' ' 348' ' ' LEU . 25.0 m-85 -60.34 -54.55 44.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.166 -0.959 . . . . 0.34000000000000002 109.239 -179.808 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.25 -36.32 30.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.357 -0.839 . . . . 2.9399999999999999 109.367 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.31 -48.35 81.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 1.74 109.707 -179.896 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.63 -40.64 92.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.407 -179.534 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.429 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 44.4 t30 -58.11 -47.74 82.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.327 -0.858 . . . . 1.22 109.491 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.09 -35.2 79.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.84 . . . . 1.72 109.872 -179.656 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.36 77.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0700000000000001 109.839 -179.709 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.504 HD12 ' NH1' ' C' ' 337' ' ' ARG . 46.5 mt -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.802 -179.82 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.4 -37.63 81.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.624 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.415 ' CD2' ' NE2' ' B' ' 354' ' ' GLN . 8.8 tp -63.87 -44.19 93.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.667 -179.593 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.26 -42.42 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 2.1400000000000001 109.063 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.86 -32.03 63.29 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.601 -0.687 . . . . 1.4299999999999999 109.546 179.725 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.96 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.214 -0.929 . . . . 1.3 109.525 -179.939 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 1.4199999999999999 109.595 179.929 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.357 0.599 . . . . 1.6100000000000001 109.524 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.84 154.41 17.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -0.933 . . . . 0.96999999999999997 109.49 -179.873 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.5 m-85 -138.2 -169.4 2.57 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.151 -0.968 . . . . 0.59999999999999998 109.741 179.878 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.2 p -153.9 157.62 39.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.285 -0.884 . . . . 1.1000000000000001 109.276 -179.742 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' D' ' 345' ' ' ASN . 17.6 tp -149.33 130.22 14.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 1.1000000000000001 109.537 -179.983 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.59 132.45 33.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -0.871 . . . . 1.3600000000000001 109.434 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.06 115.98 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.594 179.913 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.77 139.31 43.25 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.454 -0.779 . . . . 2.79 109.267 179.684 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.41 134.93 7.63 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.766 -1.333 . . . . 0.47999999999999998 109.766 179.908 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -77.46 -63.47 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.349 -1.089 . . . . 3.2200000000000002 109.339 179.918 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.79 . . . . 2.21 109.84 -179.62 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.484 ' NH1' HD12 ' D' ' 348' ' ' LEU . 11.2 tpp180 -62.95 -46.02 89.74 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.252 -0.905 . . . . 3.5499999999999998 109.635 -179.816 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.9 t80 -53.55 -51.03 64.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.298 -0.876 . . . . 0.52000000000000002 109.719 -179.884 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.43 -39.2 60.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.904 . . . . 1.6799999999999999 110.095 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -61.79 -47.93 82.9 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.104 -0.998 . . . . 1.1499999999999999 110.31 -179.151 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' D' ' 348' ' ' LEU . 24.8 m-85 -60.48 -54.68 42.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.33000000000000002 109.06 -179.8 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.07 -36.58 29.84 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 3.02 109.39 179.769 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.16 -48.27 82.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.75 109.782 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.58 -40.58 92.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.427 -179.553 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.415 ' HB2' HD22 ' D' ' 330' ' ' LEU . 43.8 t30 -58.21 -48.03 81.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.276 -0.89 . . . . 1.21 109.455 179.721 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.8 -35.15 78.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -0.807 . . . . 1.6899999999999999 110.054 -179.718 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.49 77.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 1.0600000000000001 109.757 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.503 HD12 ' NH1' ' D' ' 337' ' ' ARG . 48.2 mt -62.14 -41.36 98.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.614 -179.641 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.44 -37.61 81.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 1.9299999999999999 109.701 -179.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.91 -44.15 93.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 1.1399999999999999 109.661 -179.716 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -62.25 -42.67 99.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.217 -0.927 . . . . 2.1899999999999999 108.961 179.965 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.64 -32.1 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.574 -0.703 . . . . 1.4299999999999999 109.558 179.732 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.84 81.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 1.3100000000000001 109.539 -179.812 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . 0.415 ' NE2' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.3999999999999999 109.664 179.835 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.305 0.574 . . . . 2.1099999999999999 109.503 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.81 154.24 17.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 1.01 109.481 -179.89 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.0 m-85 -138.03 -169.44 2.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.57999999999999996 109.665 179.967 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.408 HG21 ' O ' ' C' ' 328' ' ' PHE . 1.3 p -154.01 157.54 39.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 1.1599999999999999 109.283 -179.842 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.32 130.06 14.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.161 -0.962 . . . . 1.1699999999999999 109.464 -179.956 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.43 132.57 33.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.302 -0.874 . . . . 1.8100000000000001 109.423 179.909 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.3 mt -123.94 116.11 47.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.205 -0.934 . . . . 1.1299999999999999 109.582 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.0 139.08 42.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.375 -0.828 . . . . 2.8199999999999998 109.244 179.576 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.72 134.94 7.56 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.725 -1.35 . . . . 0.45000000000000001 109.725 179.898 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -77.66 -63.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -1.108 . . . . 3.0800000000000001 109.392 179.933 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.14 -38.17 76.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -0.833 . . . . 2.54 109.769 -179.659 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.504 ' NH1' HD12 ' A' ' 348' ' ' LEU . 11.2 tpp180 -63.23 -46.1 88.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.206 -0.934 . . . . 4.1100000000000003 109.58 -179.835 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -53.52 -50.95 64.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.367 -0.833 . . . . 0.56999999999999995 109.68 -179.856 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -52.49 -39.16 60.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.842 . . . . 1.6599999999999999 110.108 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.02 -47.78 83.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.233 -0.917 . . . . 1.29 110.238 -179.106 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 345' ' ' ASN . 25.2 m-85 -60.52 -54.67 42.68 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.40000000000000002 109.176 -179.858 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -50.08 -36.39 29.1 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.372 -0.83 . . . . 3.8500000000000001 109.363 179.733 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -48.42 81.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.78 109.777 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.28 -40.61 91.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 1.1699999999999999 109.472 -179.574 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.33 -47.96 82.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.339 -0.851 . . . . 1.2 109.485 179.757 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.64 -35.46 79.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.913 -179.795 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.51 77.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.264 -0.898 . . . . 1.0700000000000001 109.822 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.49 HD12 ' NH1' ' A' ' 337' ' ' ARG . 49.0 mt -62.2 -41.34 98.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.344 -0.848 . . . . 1.1399999999999999 109.635 -179.624 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.44 -37.47 81.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.0899999999999999 109.634 -179.955 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -64.0 -44.29 93.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 1.3799999999999999 109.73 -179.666 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.19 -42.43 99.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.277 -0.889 . . . . 2.6800000000000002 109.003 179.951 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.83 -32.06 63.25 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.599 -0.688 . . . . 1.3400000000000001 109.544 179.724 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.83 81.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.274 -0.891 . . . . 1.3 109.524 -179.872 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' D' ' 350' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.884 . . . . 1.8 109.703 179.876 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.294 0.569 . . . . 1.6699999999999999 109.545 . . . . . . . . . 0 0 . 1 . 072 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -94.86 154.44 17.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.257 -0.902 . . . . 1.01 109.505 -179.859 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -138.26 -169.34 2.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.63 109.595 179.976 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.2 p -154.09 157.49 39.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.353 -0.842 . . . . 1.1299999999999999 109.277 -179.695 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' B' ' 345' ' ' ASN . 17.6 tp -149.31 130.16 14.24 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.099 -1.0 . . . . 1.1000000000000001 109.5 -179.935 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.51 132.7 33.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 1.3700000000000001 109.401 179.927 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.8 mt -124.07 116.2 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 1.1499999999999999 109.572 179.823 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.96 139.13 42.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 2.77 109.181 179.648 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.56 134.6 7.5 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.706 -1.358 . . . . 0.42999999999999999 109.706 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -77.34 -63.53 1.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.316 -1.108 . . . . 3.1200000000000001 109.292 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.88 -38.32 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.371 -0.831 . . . . 2.2200000000000002 109.833 -179.612 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.503 ' NH1' HD12 ' B' ' 348' ' ' LEU . 11.2 tpp180 -63.06 -46.15 88.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.227 -0.92 . . . . 3.5 109.56 -179.886 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -53.43 -50.93 64.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.349 -0.844 . . . . 0.5 109.729 -179.93 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -52.58 -39.15 61.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.875 . . . . 1.6899999999999999 110.016 -179.732 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.9 -47.99 82.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 110.3 -179.094 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.425 ' CZ ' HD13 ' B' ' 348' ' ' LEU . 25.0 m-85 -60.35 -54.57 44.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.145 -0.972 . . . . 0.32000000000000001 109.224 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.2 -36.51 31.0 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.96 109.304 179.697 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.27 -48.22 82.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 1.75 109.713 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.67 -40.56 92.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.865 . . . . 1.0800000000000001 109.413 -179.52 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . 0.403 ' HB2' HD22 ' B' ' 330' ' ' LEU . 44.3 t30 -58.31 -47.8 82.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 1.22 109.507 179.802 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -35.29 79.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 1.73 109.868 -179.782 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.58 76.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 1.0700000000000001 109.84 -179.698 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.484 HD12 ' NH1' ' B' ' 337' ' ' ARG . 49.3 mt -62.16 -41.26 98.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 1.1100000000000001 109.692 -179.715 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.51 -37.42 81.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.746 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.443 ' CD2' ' NE2' ' C' ' 354' ' ' GLN . 8.9 tp -63.94 -44.3 93.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 1.1699999999999999 109.711 -179.806 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.22 -42.61 99.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 2.1499999999999999 109.016 179.923 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.71 -31.98 62.94 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.537 -0.727 . . . . 1.4399999999999999 109.57 179.698 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.98 81.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.91 . . . . 1.3 109.489 -179.878 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.3999999999999999 109.693 179.898 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.203 0.525 . . . . 1.7 109.629 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.68 17.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 1.04 109.453 179.897 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.3 m-85 -140.47 -171.89 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.58 -179.934 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 6.1 p -153.24 159.63 42.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 1.1399999999999999 109.383 -179.799 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.5 tp -149.1 130.59 14.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 1.0900000000000001 109.597 -179.791 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.264 -0.898 . . . . 1.3700000000000001 109.452 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.02 119.05 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.973 . . . . 1.1499999999999999 109.701 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 12.9 ttt180 -74.02 154.29 39.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.79 109.5 179.774 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.69 137.11 4.21 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.876 -1.29 . . . . 0.45000000000000001 109.876 179.679 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.91 -52.24 7.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -1.201 . . . . 3.1600000000000001 109.388 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -58.02 -46.22 85.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 2.2200000000000002 109.276 179.858 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.56 -40.87 93.18 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.303 -0.873 . . . . 3.54 109.337 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' C' ' 329' ' ' THR . 41.4 t80 -55.39 -55.58 30.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 0.5 109.564 -179.948 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.22 -32.5 24.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.324 -0.86 . . . . 1.6599999999999999 109.865 -179.788 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.24 -50.81 66.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.2 -0.937 . . . . 1.1499999999999999 109.953 -179.616 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.14 -55.93 26.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.34000000000000002 109.214 -179.931 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.22 -33.46 27.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 2.9399999999999999 109.437 179.766 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.27 -50.18 74.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.318 -0.864 . . . . 1.74 109.555 -179.892 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.37 -35.04 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 1.0700000000000001 108.967 179.728 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.85 -52.45 65.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 1.22 109.435 179.599 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.81 -32.6 73.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.413 -0.804 . . . . 1.72 109.791 -179.866 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.79 63.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.171 -0.956 . . . . 1.0700000000000001 109.923 -179.692 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.16 -43.01 99.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 1.0800000000000001 109.544 -179.652 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.54 -35.62 74.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.658 -179.966 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.4 tt -64.81 -43.22 93.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.281 -0.887 . . . . 1.1499999999999999 109.24 179.943 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . 0.419 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.1 ttmm -61.43 -47.76 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.89 -0.782 . . . . 2.1400000000000001 108.89 179.751 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.76 -30.88 65.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.504 -0.747 . . . . 1.4299999999999999 109.352 179.574 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.99 -33.37 75.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.454 -0.779 . . . . 1.3 109.608 -179.817 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 1.4199999999999999 109.381 179.912 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.229 0.538 . . . . 1.6100000000000001 109.558 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.03 154.62 17.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 0.96999999999999997 109.459 179.884 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -140.35 -171.94 3.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.59999999999999998 109.601 -179.888 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 6.1 p -153.2 159.71 42.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 1.1000000000000001 109.431 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' D' ' 329' ' ' THR . 17.4 tp -149.1 130.57 14.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 1.1000000000000001 109.562 -179.718 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.46 129.9 34.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 1.3600000000000001 109.499 -179.983 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.04 118.97 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.013 . . . . 1.1699999999999999 109.682 179.948 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 12.9 ttt180 -73.97 154.28 39.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 2.79 109.508 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.66 137.09 4.19 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.855 -1.298 . . . . 0.47999999999999998 109.855 179.677 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.8 -52.32 7.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -1.124 . . . . 3.2200000000000002 109.444 179.816 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.98 -46.17 85.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.21 109.316 179.862 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -40.96 93.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.381 -0.824 . . . . 3.5499999999999998 109.385 179.872 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.16 -55.65 28.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.745 . . . . 0.52000000000000002 109.627 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -51.33 -32.46 25.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 109.812 -179.758 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.78 66.7 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.226 -0.921 . . . . 1.1499999999999999 109.997 -179.668 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.08 -55.96 26.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.352 -0.843 . . . . 0.33000000000000002 109.226 -179.893 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.33 -33.32 28.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.406 -0.809 . . . . 3.02 109.464 179.792 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.28 -50.3 73.57 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.19 -0.944 . . . . 1.75 109.502 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.32 -34.98 76.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 1.0700000000000001 109.029 179.704 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -58.94 -52.42 65.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.402 -0.811 . . . . 1.21 109.318 179.608 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.9 -32.53 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.452 -0.78 . . . . 1.6899999999999999 109.751 -179.775 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.64 64.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 1.0600000000000001 109.868 -179.619 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 32.6 mt -61.22 -42.97 99.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 109.541 -179.727 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.54 -35.74 74.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.9299999999999999 109.57 -179.951 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.4 tt -64.87 -43.07 94.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.368 -0.832 . . . . 1.1399999999999999 109.258 -179.954 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.2 ttmm -61.43 -47.8 84.1 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.891 -0.781 . . . . 2.1899999999999999 108.891 179.746 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.71 -30.88 65.89 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.599 -0.688 . . . . 1.4299999999999999 109.392 179.522 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.32 75.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 1.3100000000000001 109.52 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.217 -0.927 . . . . 1.3999999999999999 109.352 179.923 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.226 0.536 . . . . 2.1099999999999999 109.603 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.62 17.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 1.01 109.585 179.804 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.8 m-85 -140.38 -171.93 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.105 -0.997 . . . . 0.57999999999999996 109.636 -179.898 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 6.3 p -153.22 159.55 42.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.279 -0.888 . . . . 1.1599999999999999 109.465 -179.834 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 329' ' ' THR . 17.3 tp -149.08 130.67 14.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 1.1699999999999999 109.541 -179.789 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.5 129.89 34.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.8100000000000001 109.487 -179.996 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.9 mt -124.07 119.02 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.187 -0.946 . . . . 1.1299999999999999 109.679 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 12.9 ttt180 -73.99 154.37 39.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 2.8199999999999998 109.567 179.748 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.59 137.07 4.14 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.917 -1.273 . . . . 0.45000000000000001 109.917 179.78 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.77 -52.39 7.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.106 . . . . 3.0800000000000001 109.437 179.802 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.92 -46.27 85.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 2.54 109.225 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -40.99 93.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.31 -0.869 . . . . 4.1100000000000003 109.284 179.952 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -55.18 -55.67 28.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 0.56999999999999995 109.579 -179.937 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.36 -32.4 25.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 1.6599999999999999 109.849 -179.718 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.23 -50.74 66.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.139 -0.976 . . . . 1.29 110.01 -179.682 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -61.07 -56.08 25.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.40000000000000002 109.172 -179.956 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.09 -33.38 25.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 3.8500000000000001 109.553 179.749 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.34 -50.21 73.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.904 . . . . 1.78 109.519 -179.889 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.49 -34.8 76.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.0 179.815 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.01 -52.43 65.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.382 -0.823 . . . . 1.2 109.422 179.487 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.76 -32.68 73.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.371 -0.831 . . . . 2.1200000000000001 109.817 -179.89 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.68 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.942 -179.658 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.31 -42.89 99.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 1.1399999999999999 109.571 -179.726 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.49 -35.71 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 2.0899999999999999 109.598 179.953 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -64.92 -43.08 93.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 1.3799999999999999 109.278 -179.941 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -61.33 -47.78 84.33 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.45 -0.781 . . . . 2.6800000000000002 108.992 179.626 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.79 -30.81 65.98 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.567 -0.708 . . . . 1.3400000000000001 109.408 179.549 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -33.31 75.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.469 -0.769 . . . . 1.3 109.524 -179.773 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.8 109.376 179.864 . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.575 -0.528 . . . . 1.6699999999999999 109.575 . . . . . . . . . 0 0 . 1 . 073 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.99 154.52 17.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 1.01 109.565 179.795 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 66.9 m-85 -140.32 -171.9 3.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 0.63 109.537 -179.873 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 6.1 p -153.22 159.6 42.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 1.1299999999999999 109.439 -179.819 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' B' ' 329' ' ' THR . 17.2 tp -149.08 130.56 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.1000000000000001 109.62 -179.804 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 129.96 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.343 -0.848 . . . . 1.3700000000000001 109.517 179.96 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.8 mt -124.09 118.91 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.224 -0.923 . . . . 1.1499999999999999 109.72 179.969 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 12.9 ttt180 -73.93 154.41 39.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 2.77 109.5 179.8 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.55 137.04 4.1 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.92 -1.272 . . . . 0.42999999999999999 109.92 179.681 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.89 -52.2 7.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -1.112 . . . . 3.1200000000000001 109.372 179.932 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.04 -46.24 85.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 2.2200000000000002 109.351 179.827 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -41.06 93.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.354 -0.841 . . . . 3.5 109.266 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.6 t80 -55.24 -55.64 29.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 0.5 109.551 -179.922 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -51.33 -32.4 25.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.6899999999999999 109.81 -179.71 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.87 66.34 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.936 -179.681 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.09 -56.02 25.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.32000000000000001 109.158 -179.862 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.23 -33.33 27.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 2.96 109.43 179.814 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.33 -50.26 73.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -0.935 . . . . 1.75 109.494 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.44 -34.97 76.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 108.903 179.77 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.85 -52.43 65.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.374 -0.829 . . . . 1.22 109.42 179.565 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.86 -32.54 73.79 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.49 -0.756 . . . . 1.73 109.756 -179.772 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.79 63.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 1.0700000000000001 109.927 -179.65 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.15 -42.89 99.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -0.937 . . . . 1.1100000000000001 109.62 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.68 -35.58 74.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.637 -179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.86 -43.16 93.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.145 -179.973 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -61.4 -47.82 84.04 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.38 -0.825 . . . . 2.1499999999999999 108.953 179.711 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.76 -30.89 65.98 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.537 -0.727 . . . . 1.4399999999999999 109.353 179.582 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.37 75.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.367 -0.833 . . . . 1.3 109.608 -179.785 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.194 -0.941 . . . . 1.3999999999999999 109.451 179.851 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.283 0.563 . . . . 1.7 109.613 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.13 159.52 15.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 1.04 109.439 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.3 m-85 -139.48 -169.91 2.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.493 -179.892 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 329' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 5.9 p -153.9 159.61 41.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 109.521 -179.776 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -148.98 129.98 14.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 1.0900000000000001 109.429 -179.855 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 43.1 tt0 -87.14 128.21 35.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.314 -0.866 . . . . 1.3700000000000001 109.753 -179.929 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.437 HD12 ' CG ' ' A' ' 341' ' ' PHE . 29.3 mt -124.23 115.9 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 1.1499999999999999 109.563 179.737 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.509 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -73.88 150.71 40.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 2.79 109.568 179.929 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.509 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 95.12 133.6 7.34 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.768 -1.333 . . . . 0.45000000000000001 109.768 179.824 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.0 ttt180 -76.85 -58.12 3.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.118 . . . . 3.1600000000000001 109.356 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.99 -42.54 90.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.4 -0.813 . . . . 2.2200000000000002 109.37 179.898 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.9 OUTLIER -60.5 -46.62 89.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.296 -0.878 . . . . 3.54 109.424 -179.883 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.6 t80 -55.73 -51.34 67.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.5 109.606 179.923 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.56 20.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 109.702 -179.811 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.81 -49.8 73.5 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.256 -0.903 . . . . 1.1499999999999999 109.865 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' A' ' 332' ' ' ILE . 24.7 m-85 -60.95 -54.8 40.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.194 -0.941 . . . . 0.34000000000000002 109.151 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.51 23.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.467 -0.771 . . . . 2.9399999999999999 109.525 179.833 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.95 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.919 . . . . 1.74 109.698 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.34 -33.97 74.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.103 179.971 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.63 -51.13 71.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.841 . . . . 1.22 109.464 179.741 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 1.72 109.759 -179.736 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.79 84.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 110.045 -179.626 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.522 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 57.0 mt -61.55 -45.38 94.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.784 -179.608 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.5 -35.3 75.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 1.9099999999999999 109.634 179.92 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.85 -47.46 77.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 109.79 -179.82 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.68 -41.34 97.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.336 -0.852 . . . . 2.1400000000000001 109.037 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.25 -34.33 68.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.65 -0.656 . . . . 1.4299999999999999 109.565 179.644 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.54 89.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.3 109.354 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.91 . . . . 1.4199999999999999 109.601 179.892 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.286 0.565 . . . . 1.6100000000000001 109.552 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 12.5 m-85 -93.16 159.46 15.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 0.96999999999999997 109.469 179.869 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.2 m-85 -139.47 -169.89 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.59999999999999998 109.574 -179.916 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 329' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 5.8 p -153.96 159.62 41.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.187 -0.946 . . . . 1.1000000000000001 109.488 -179.837 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.98 130.02 14.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.402 -179.885 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 43.1 tt0 -87.09 128.25 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 1.3600000000000001 109.751 -179.917 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' CG ' ' B' ' 341' ' ' PHE . 29.4 mt -124.22 115.87 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 1.1699999999999999 109.534 179.728 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -73.79 150.72 40.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 2.79 109.631 179.831 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.504 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.03 133.66 7.33 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.715 -1.354 . . . . 0.47999999999999998 109.715 179.746 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.1 ttt180 -76.79 -58.08 3.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -1.12 . . . . 3.2200000000000002 109.442 179.882 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.9 -42.67 90.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 2.21 109.394 179.795 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.9 OUTLIER -60.47 -46.63 89.39 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.267 -0.896 . . . . 3.5499999999999998 109.439 -179.887 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.4 t80 -55.74 -51.41 67.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.52000000000000002 109.529 -179.984 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.79 -34.64 20.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.851 . . . . 1.6799999999999999 109.661 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -62.87 -49.71 73.79 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.102 -0.999 . . . . 1.1499999999999999 109.803 -179.664 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.04 -54.82 40.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.204 -0.935 . . . . 0.33000000000000002 109.087 -179.976 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.55 23.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.443 -0.785 . . . . 3.02 109.484 179.896 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.86 -51.92 67.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 1.75 109.783 -179.894 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.25 -34.05 74.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 109.058 179.935 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.59 -51.18 70.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.428 -0.795 . . . . 1.21 109.482 179.755 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.66 81.08 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 109.773 -179.742 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.74 84.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 1.0600000000000001 109.993 -179.568 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.0 mt -61.5 -45.49 93.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 1.0800000000000001 109.829 -179.661 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.43 -35.33 75.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 1.9299999999999999 109.731 179.913 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.84 -47.41 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 1.1399999999999999 109.715 -179.731 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.69 -41.42 97.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 2.1899999999999999 108.994 179.929 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -34.45 68.38 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 109.506 179.627 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.47 89.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 1.3100000000000001 109.271 -179.79 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.818 . . . . 1.3999999999999999 109.622 179.853 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.307 0.575 . . . . 2.1099999999999999 109.634 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.25 159.44 15.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.237 -0.914 . . . . 1.01 109.453 179.904 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.1 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.57999999999999996 109.524 -179.939 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 329' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 6.0 p -153.81 159.62 41.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.1599999999999999 109.539 -179.851 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.4 tp -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.446 -179.864 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.06 128.26 35.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.231 -0.918 . . . . 1.8100000000000001 109.773 -179.926 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.449 HD12 ' CG ' ' C' ' 341' ' ' PHE . 29.4 mt -124.27 115.76 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 1.1299999999999999 109.598 179.748 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.508 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -73.71 150.66 41.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 2.8199999999999998 109.621 179.953 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.508 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 95.01 133.71 7.35 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.731 -1.348 . . . . 0.45000000000000001 109.731 179.719 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.2 ttt180 -76.77 -58.18 3.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -1.161 . . . . 3.0800000000000001 109.399 179.922 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.79 -42.78 89.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 2.54 109.369 179.839 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.9 OUTLIER -60.43 -46.54 89.64 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.373 -0.829 . . . . 4.1100000000000003 109.451 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.5 t80 -55.79 -51.33 67.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.56999999999999995 109.606 179.958 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.45 20.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 109.781 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.95 -49.73 73.58 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.131 -0.981 . . . . 1.29 109.794 -179.741 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.449 ' CG ' HD12 ' C' ' 332' ' ' ILE . 24.9 m-85 -60.95 -54.85 39.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.147 -0.97 . . . . 0.40000000000000002 109.169 179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.19 -34.54 23.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.382 -0.824 . . . . 3.8500000000000001 109.591 179.778 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.93 -51.85 67.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 1.78 109.758 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.21 -34.13 74.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 1.1699999999999999 109.153 179.814 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.56 -51.16 71.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.49 -0.756 . . . . 1.2 109.535 179.71 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -35.65 81.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.844 . . . . 2.1200000000000001 109.781 -179.733 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.8 84.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.996 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 57.5 mt -61.52 -45.46 94.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.881 . . . . 1.1399999999999999 109.768 -179.544 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.48 -35.39 75.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.213 -0.929 . . . . 2.0899999999999999 109.571 179.986 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.521 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 13.4 tp -64.85 -47.43 77.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 1.3799999999999999 109.71 -179.681 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.67 -41.4 97.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.897 . . . . 2.6800000000000002 108.984 179.938 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.499 -0.75 . . . . 1.3400000000000001 109.588 179.655 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.36 89.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 1.3 109.378 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.8 109.618 179.825 . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.301 0.572 . . . . 1.6699999999999999 109.65 . . . . . . . . . 0 0 . 1 . 074 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.25 159.51 15.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 1.01 109.284 -179.95 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.9 m-85 -139.49 -169.8 2.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.322 -0.861 . . . . 0.63 109.517 -179.94 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 5.8 p -153.94 159.63 41.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 1.1299999999999999 109.428 -179.774 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.4 tp -149.04 130.01 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.187 -0.946 . . . . 1.1000000000000001 109.446 -179.969 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.15 128.24 35.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.177 -0.952 . . . . 1.3700000000000001 109.704 -179.816 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CG ' ' D' ' 341' ' ' PHE . 29.2 mt -124.18 115.85 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 109.537 179.8 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -73.81 150.68 40.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 2.77 109.639 179.857 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.05 133.73 7.37 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.789 -1.324 . . . . 0.42999999999999999 109.789 179.798 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.0 ttt180 -76.92 -58.01 3.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -1.123 . . . . 3.1200000000000001 109.453 179.807 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.93 -42.73 90.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.429 179.793 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.514 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.9 OUTLIER -60.34 -46.69 89.01 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.335 -0.853 . . . . 3.5 109.385 -179.851 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.3 t80 -55.76 -51.37 67.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.5 109.555 -179.961 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.85 -34.52 20.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.378 -0.826 . . . . 1.6899999999999999 109.745 -179.859 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.99 -49.64 73.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 109.766 -179.612 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.448 ' CG ' HD12 ' D' ' 332' ' ' ILE . 24.7 m-85 -60.93 -54.87 39.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.32000000000000001 109.167 179.938 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.18 -34.59 23.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.445 -0.784 . . . . 2.96 109.555 179.824 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.91 67.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 1.75 109.757 -179.863 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.24 -34.02 74.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.1 179.899 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.7 -51.11 71.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 1.22 109.509 179.751 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.323 -0.861 . . . . 1.73 109.743 -179.763 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.76 84.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 110.03 -179.598 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 57.2 mt -61.46 -45.47 94.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 1.1100000000000001 109.77 -179.63 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -35.26 75.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.658 179.969 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 13.6 tp -64.88 -47.32 78.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 1.1699999999999999 109.815 -179.838 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.6 -41.51 97.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 2.1499999999999999 109.007 179.89 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.17 -34.33 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.536 -0.727 . . . . 1.4399999999999999 109.572 179.683 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.5 89.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.872 . . . . 1.3 109.39 -179.92 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.381 -0.824 . . . . 1.3999999999999999 109.67 179.83 . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 1.7 109.451 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.9 m-85 -94.89 149.44 21.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.895 . . . . 1.04 109.506 179.846 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.4 m-85 -139.12 -168.98 2.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 0.65000000000000002 109.772 -179.783 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 26.2 p -152.91 156.7 39.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.348 -179.721 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.05 136.21 19.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.15 -0.969 . . . . 1.0900000000000001 109.634 -179.552 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 40.5 tt0 -86.53 132.19 33.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.822 . . . . 1.3700000000000001 109.149 179.625 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.83 120.34 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 1.1499999999999999 109.591 -179.896 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.91 152.37 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.337 -0.852 . . . . 2.79 109.51 179.869 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.06 2.65 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.776 -1.33 . . . . 0.45000000000000001 109.776 179.657 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttm180 -81.94 -50.1 9.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -1.16 . . . . 3.1600000000000001 109.452 179.787 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.58 -46.0 87.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.402 -0.811 . . . . 2.2200000000000002 109.45 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.99 -41.26 96.13 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.314 -0.866 . . . . 3.54 109.385 -179.955 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -55.32 -56.51 19.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.535 -0.728 . . . . 0.5 109.721 -179.938 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.44 -35.43 39.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.828 . . . . 1.6599999999999999 110.027 -179.782 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.9 -47.22 84.21 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.245 -0.91 . . . . 1.1499999999999999 109.871 -179.584 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.58 -49.15 77.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 0.34000000000000002 109.24 -179.996 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.37 -40.32 58.93 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.9399999999999999 109.65 179.783 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.63 -42.81 97.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.74 109.831 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.08 -45.61 92.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -0.883 . . . . 1.0700000000000001 109.542 -179.753 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.87 -46.2 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.34 -0.85 . . . . 1.22 109.795 -179.953 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -35.97 80.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 1.72 109.789 -179.628 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.09 -53.02 63.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.696 -179.784 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.58 -36.3 80.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 1.0800000000000001 109.258 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.323 -0.86 . . . . 1.9099999999999999 109.535 179.914 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.29 -43.94 96.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 1.1499999999999999 109.454 -179.928 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -61.77 -47.55 84.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.346 -0.846 . . . . 2.1400000000000001 109.033 179.844 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -28.6 59.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.465 179.614 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.29 81.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 1.3 109.488 -179.779 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.4199999999999999 109.52 179.832 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.434 -0.58 . . . . 1.6100000000000001 109.434 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.8 m-85 -94.98 149.37 21.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.96999999999999997 109.484 179.814 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.4 m-85 -138.95 -169.01 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.281 -0.887 . . . . 0.59999999999999998 109.774 -179.727 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 26.3 p -152.82 156.9 39.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 1.1000000000000001 109.349 -179.818 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.21 136.11 19.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 1.1000000000000001 109.705 -179.617 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 40.7 tt0 -86.45 132.25 33.98 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.378 -0.827 . . . . 1.3600000000000001 109.117 179.661 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.9 120.35 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.967 . . . . 1.1699999999999999 109.558 -179.895 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.78 152.38 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.303 -0.873 . . . . 2.79 109.538 179.797 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.47 137.09 2.6 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.881 -1.288 . . . . 0.47999999999999998 109.881 179.626 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.402 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttm180 -81.93 -50.04 9.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -1.142 . . . . 3.2200000000000002 109.457 179.896 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.63 -45.82 88.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 2.21 109.515 179.913 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -61.07 -41.36 96.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.324 -0.86 . . . . 3.5499999999999998 109.39 179.963 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.17 -56.64 17.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.54 -0.725 . . . . 0.52000000000000002 109.711 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.46 -35.42 39.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.388 -0.82 . . . . 1.6799999999999999 110.005 -179.668 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.79 -47.32 83.97 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.007 -1.058 . . . . 1.1499999999999999 109.834 -179.596 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.64 -49.01 78.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.33000000000000002 109.213 -179.871 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -51.53 -40.17 59.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 3.02 109.59 179.858 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.74 -42.75 97.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.75 109.838 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.1 -45.54 93.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.576 -179.773 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -58.03 -46.08 85.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 1.21 109.674 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.07 81.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.331 -0.856 . . . . 1.6899999999999999 109.768 -179.632 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.07 62.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 1.0600000000000001 109.642 -179.729 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . 0.43 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 17.3 mt -61.58 -36.15 79.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 1.0800000000000001 109.399 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.23 83.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.916 . . . . 1.9299999999999999 109.453 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.26 -43.84 96.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 1.1399999999999999 109.542 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.8 -47.46 85.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -0.818 . . . . 2.1899999999999999 109.055 179.762 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.58 -28.65 60.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.376 179.687 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.41 81.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.394 -0.816 . . . . 1.3100000000000001 109.439 -179.755 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 1.3999999999999999 109.584 179.793 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.393 -0.595 . . . . 2.1099999999999999 109.393 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 9.1 m-85 -94.93 149.41 21.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 1.01 109.401 179.862 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.4 m-85 -139.0 -168.93 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.57999999999999996 109.728 -179.8 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -152.82 157.04 40.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 1.1599999999999999 109.302 -179.766 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.42 136.19 19.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 1.1699999999999999 109.588 -179.597 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 40.5 tt0 -86.58 132.2 33.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.089 179.723 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.78 120.22 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 1.1299999999999999 109.716 -179.975 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.75 152.4 40.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 2.8199999999999998 109.544 179.854 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.5 137.11 2.62 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.855 -1.298 . . . . 0.45000000000000001 109.855 179.675 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttm180 -82.0 -50.11 9.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -1.154 . . . . 3.0800000000000001 109.362 179.95 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.53 -46.15 87.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 2.54 109.356 179.986 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.9 -41.24 95.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 4.1100000000000003 109.333 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -55.37 -56.5 19.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.56999999999999995 109.708 -179.942 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.49 -35.49 40.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.957 -179.748 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.73 -47.37 83.88 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.142 -0.974 . . . . 1.29 109.89 -179.599 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.41 -49.16 77.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.40000000000000002 109.312 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.47 -40.29 59.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.475 -0.766 . . . . 3.8500000000000001 109.65 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.5 -42.89 97.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.187 -0.945 . . . . 1.78 109.906 -179.764 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.02 -45.56 93.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 109.624 -179.784 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.95 -46.19 85.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.822 . . . . 1.2 109.787 -179.949 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -36.1 80.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 2.1200000000000001 109.877 -179.758 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.04 62.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.669 -179.697 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.68 -36.12 79.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 1.1399999999999999 109.361 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.31 -38.14 82.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 2.0899999999999999 109.551 179.826 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.24 -43.93 96.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 1.3799999999999999 109.545 -179.976 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.75 -47.48 85.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 2.6800000000000002 109.068 179.837 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.45 -28.83 60.66 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.566 -0.709 . . . . 1.3400000000000001 109.355 179.636 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.51 81.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 1.3 109.491 -179.734 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 1.8 109.558 179.839 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.386 -0.598 . . . . 1.6699999999999999 109.386 . . . . . . . . . 0 0 . 1 . 075 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 8.9 m-85 -94.97 149.49 21.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.962 . . . . 1.01 109.435 179.833 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' B' ' 331' ' ' GLN . 69.5 m-85 -139.08 -169.04 2.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.63 109.709 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 26.1 p -152.71 157.02 40.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 1.1299999999999999 109.347 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.3 136.15 19.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.1000000000000001 109.601 -179.579 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 40.6 tt0 -86.55 132.14 33.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.378 -0.826 . . . . 1.3700000000000001 109.204 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.84 120.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.611 -179.874 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.77 152.33 40.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.45 -0.781 . . . . 2.77 109.649 179.804 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.16 2.68 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.803 -1.319 . . . . 0.42999999999999999 109.803 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.433 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.8 ttm180 -82.04 -50.06 9.52 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -1.096 . . . . 3.1200000000000001 109.39 179.929 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.55 -46.11 87.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 2.2200000000000002 109.406 179.921 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 4.0 ttm180 -60.94 -41.29 95.98 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.296 -0.877 . . . . 3.5 109.407 -179.913 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -55.28 -56.54 18.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.498 -0.751 . . . . 0.5 109.71 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.53 -35.42 40.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 109.982 -179.714 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.76 -47.34 83.95 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.136 -0.977 . . . . 1.1399999999999999 109.875 -179.654 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -49.0 78.36 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.271 -0.893 . . . . 0.32000000000000001 109.296 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.51 -40.22 59.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 2.96 109.599 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.69 -42.73 97.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 1.75 109.896 -179.682 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.0 -45.68 92.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 109.555 -179.848 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.93 -46.18 85.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.391 -0.818 . . . . 1.22 109.727 -179.858 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -36.13 81.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 1.73 109.862 -179.688 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.95 -53.05 62.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.688 -179.75 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.66 -36.1 79.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 1.1100000000000001 109.368 -179.974 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.19 82.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.326 -0.859 . . . . 1.9099999999999999 109.464 179.823 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.18 -43.89 96.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.565 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.95 -47.36 85.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.383 -0.823 . . . . 2.1499999999999999 109.072 179.862 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.46 -28.7 60.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.626 -0.671 . . . . 1.4399999999999999 109.442 179.517 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.34 81.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 1.3 109.475 -179.722 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 1.3999999999999999 109.489 179.868 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.384 -0.598 . . . . 1.7 109.384 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 8.3 m-85 -93.72 158.49 15.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 1.04 109.527 -179.88 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.0 m-85 -138.24 -166.51 2.0 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.203 -0.935 . . . . 0.65000000000000002 109.601 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.95 156.74 40.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 1.1399999999999999 109.498 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.98 132.54 16.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.926 . . . . 1.0900000000000001 109.585 -179.541 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 40.4 tt0 -86.64 127.24 34.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 1.3700000000000001 109.414 179.97 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.8 117.43 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 1.1499999999999999 109.622 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.51 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.0 OUTLIER -73.48 154.3 39.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 2.79 109.437 179.986 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.56 128.26 3.03 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.744 -1.342 . . . . 0.45000000000000001 109.744 179.717 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -77.07 -52.41 9.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.308 -1.113 . . . . 3.1600000000000001 109.261 179.807 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -59.41 -47.1 86.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.86 . . . . 2.2200000000000002 109.479 179.877 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.94 -42.66 98.6 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.296 -0.877 . . . . 3.54 109.564 -179.903 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.04 -55.94 25.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.355 -0.841 . . . . 0.5 109.659 -179.88 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.62 -34.42 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.882 . . . . 1.6599999999999999 109.848 -179.706 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.4 -49.08 75.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.145 -0.972 . . . . 1.1499999999999999 110.088 -179.646 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.18 -53.24 59.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.306 -0.872 . . . . 0.34000000000000002 109.299 -179.781 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.65 41.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.396 -0.815 . . . . 2.9399999999999999 109.717 179.745 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.9 -44.97 96.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.74 109.864 -179.797 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.41 97.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 1.0700000000000001 109.403 -179.887 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.01 -47.83 81.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.302 -0.874 . . . . 1.22 109.549 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -36.28 80.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.72 109.92 -179.703 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.82 88.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.971 -179.731 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.91 -47.75 83.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 1.0800000000000001 109.817 -179.558 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.14 -34.66 72.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.9099999999999999 109.769 -179.782 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.1 tt -64.86 -47.13 79.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.272 -0.892 . . . . 1.1499999999999999 109.561 -179.861 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -61.18 -39.1 88.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.363 -0.836 . . . . 2.1400000000000001 109.185 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -56.57 -40.39 75.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.443 -0.786 . . . . 1.4299999999999999 109.557 179.698 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.87 68.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 1.3 109.516 -179.954 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' B' ' 350' ' ' LEU . 8.9 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 1.4199999999999999 109.718 -179.854 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.396 -0.594 . . . . 1.6100000000000001 109.396 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.5 15.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.885 . . . . 0.96999999999999997 109.567 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.54 2.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.59999999999999998 109.564 -179.791 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 13.4 p -151.82 156.74 40.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 1.1000000000000001 109.522 -179.687 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.3 tp -148.97 132.56 16.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 1.1000000000000001 109.595 -179.628 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 40.4 tt0 -86.59 127.33 34.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.38 -0.825 . . . . 1.3600000000000001 109.413 179.896 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 117.51 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 109.548 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.514 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 1.0 OUTLIER -73.52 154.27 39.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 2.79 109.523 179.925 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.48 128.31 3.02 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.768 -1.333 . . . . 0.47999999999999998 109.768 179.762 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -77.06 -52.34 9.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -1.098 . . . . 3.2200000000000002 109.256 179.875 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.47 -47.2 86.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 2.21 109.42 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.83 -42.69 98.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.279 -0.888 . . . . 3.5499999999999998 109.591 -179.933 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -54.92 -56.06 23.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -0.83 . . . . 0.52000000000000002 109.618 -179.898 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.57 -34.61 26.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 1.6799999999999999 109.736 -179.619 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.24 -49.12 75.39 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 110.132 -179.586 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.07 -53.37 57.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.33000000000000002 109.279 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.03 -36.82 41.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 3.02 109.524 179.872 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.74 -45.04 95.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.978 . . . . 1.75 109.897 -179.743 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.47 97.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.348 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -57.99 -47.83 81.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.395 -0.816 . . . . 1.21 109.588 179.911 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -36.41 81.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -0.862 . . . . 1.6899999999999999 109.917 -179.698 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.76 88.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 1.0600000000000001 109.915 -179.59 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.98 -47.58 84.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.207 -0.933 . . . . 1.0800000000000001 109.888 -179.563 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.22 -34.71 72.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.885 . . . . 1.9299999999999999 109.713 -179.84 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.1 tt -64.83 -47.1 79.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 1.1399999999999999 109.578 -179.822 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . 0.457 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 18.8 ttmm -61.21 -39.14 89.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.495 -0.753 . . . . 2.1899999999999999 109.089 -179.999 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -56.64 -40.42 75.38 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.431 -0.793 . . . . 1.4299999999999999 109.433 179.809 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.96 69.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 1.3100000000000001 109.541 -179.971 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.173 -0.954 . . . . 1.3999999999999999 109.779 -179.886 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.354 -0.61 . . . . 2.1099999999999999 109.354 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.416 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.45 15.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.908 . . . . 1.01 109.49 -179.859 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.5 2.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.57999999999999996 109.599 -179.794 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.85 156.74 40.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 1.1599999999999999 109.528 -179.68 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.92 132.66 16.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.908 . . . . 1.1699999999999999 109.6 -179.652 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 40.4 tt0 -86.7 127.33 34.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.8100000000000001 109.387 179.915 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.86 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.217 -0.927 . . . . 1.1299999999999999 109.578 -179.964 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 1.0 OUTLIER -73.43 154.25 40.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.86 . . . . 2.8199999999999998 109.541 179.898 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.6 128.31 3.06 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.721 -1.352 . . . . 0.45000000000000001 109.721 179.706 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -77.17 -52.38 9.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.253 -1.145 . . . . 3.0800000000000001 109.28 179.738 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.4 -47.15 86.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 2.54 109.415 179.819 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.85 -42.77 98.46 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.344 -0.848 . . . . 4.1100000000000003 109.511 -179.867 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.93 -56.11 23.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.381 -0.825 . . . . 0.56999999999999995 109.625 -179.809 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.43 -34.57 25.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 109.868 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.32 -49.07 75.4 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.267 -0.895 . . . . 1.29 110.121 -179.656 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.13 -53.37 57.84 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.28 -0.887 . . . . 0.40000000000000002 109.286 -179.819 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.366 -0.834 . . . . 3.8500000000000001 109.618 179.836 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.85 -45.07 95.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 1.78 109.794 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.9 mt -61.8 -41.35 97.63 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.246 -0.908 . . . . 1.1699999999999999 109.389 -179.812 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.03 -47.79 82.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.4 -0.812 . . . . 1.2 109.622 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.43 81.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 2.1200000000000001 109.822 -179.717 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.78 88.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 1.0700000000000001 110.04 -179.625 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.92 -47.71 83.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.889 -179.665 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.13 -34.72 72.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 2.0899999999999999 109.722 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . 0.467 HD12 ' NE2' ' D' ' 354' ' ' GLN . 1.1 tt -64.81 -47.18 78.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 1.3799999999999999 109.584 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 18.8 ttmm -61.13 -39.12 88.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 2.6800000000000002 109.132 -179.936 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.62 -40.4 75.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.376 -0.828 . . . . 1.3400000000000001 109.485 179.743 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -29.75 68.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.352 -0.842 . . . . 1.3 109.543 -179.925 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.282 -0.886 . . . . 1.8 109.732 -179.892 . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.422 -0.584 . . . . 1.6699999999999999 109.422 . . . . . . . . . 0 0 . 1 . 076 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.3 m-85 -93.68 158.48 15.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 1.01 109.532 -179.894 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.1 m-85 -138.27 -166.51 2.0 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.288 -0.882 . . . . 0.63 109.674 -179.754 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 329' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 13.6 p -151.91 156.64 40.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 1.1299999999999999 109.518 -179.713 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.85 132.62 16.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.168 -0.957 . . . . 1.1000000000000001 109.569 -179.602 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 40.5 tt0 -86.63 127.37 34.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.3700000000000001 109.328 179.91 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.88 117.49 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 1.1499999999999999 109.588 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.505 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 1.0 OUTLIER -73.56 154.32 39.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 2.77 109.515 179.921 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.47 128.43 3.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.781 -1.328 . . . . 0.42999999999999999 109.781 179.769 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 1.2 ttt-85 -77.16 -52.37 9.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.162 . . . . 3.1200000000000001 109.306 179.792 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.46 -46.97 87.26 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.488 179.835 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -61.01 -42.69 98.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 3.5 109.512 -179.89 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -55.01 -55.97 25.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.5 109.63 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -50.57 -34.51 25.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.6899999999999999 109.801 -179.658 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.37 -49.07 75.29 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.192 -0.942 . . . . 1.1399999999999999 110.063 -179.575 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.1 -53.41 57.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.168 -0.958 . . . . 0.32000000000000001 109.263 -179.837 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.69 41.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 2.96 109.555 179.908 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.93 -44.92 96.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.91 . . . . 1.75 109.837 -179.767 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.82 -41.43 97.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 1.0800000000000001 109.372 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.97 -47.84 81.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.22 109.596 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -36.33 81.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 1.73 109.855 -179.686 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.81 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 1.0700000000000001 109.975 -179.679 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.81 -47.65 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 1.1100000000000001 109.918 -179.668 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -59.16 -34.76 72.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.703 -179.772 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.88 -47.0 79.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.289 -0.882 . . . . 1.1699999999999999 109.614 -179.758 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -61.25 -38.96 88.56 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.409 -0.807 . . . . 2.1499999999999999 109.186 179.994 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.54 -40.6 75.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.399 -0.813 . . . . 1.4399999999999999 109.521 179.647 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.78 68.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 1.3 109.662 -179.987 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' C' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.3999999999999999 109.703 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 14.3 tttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.511 -0.551 . . . . 7.6600000000000001 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 22.3 mttp 58.45 -168.1 0.14 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 7.5099999999999998 109.438 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 1.6 ptpt 42.0 82.55 0.22 Allowed Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.336 -0.852 . . . . 6.8099999999999996 109.689 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.33 -82.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.215 1.943 . . . . 5.1500000000000004 110.383 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.8 128.32 33.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.133 -0.98 . . . . 4.7000000000000002 109.445 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.53 129.19 34.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 2.48 109.346 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 160.81 51.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.575 -1.41 . . . . 1.0800000000000001 109.575 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.6 130.96 49.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.34 -1.094 . . . . 1.7 109.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 18.8 m-85 -93.63 157.42 16.19 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.228 -0.92 . . . . 1.04 109.544 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 85.6 m-85 -139.11 -173.14 3.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.316 -0.865 . . . . 0.65000000000000002 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.7 p -153.4 160.38 42.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 109.427 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.05 133.53 18.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 1.0900000000000001 109.289 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.65 130.05 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 1.3700000000000001 109.649 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.3 mt -123.82 110.8 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 109.394 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.29 146.01 45.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 2.79 109.52 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.2 127.73 5.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.45000000000000001 109.772 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.2 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 3.1600000000000001 109.47 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 22.5 pt-20 -58.05 -43.95 87.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.301 -0.875 . . . . 2.2200000000000002 109.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 0.5 OUTLIER -59.8 -40.51 88.59 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.357 -0.839 . . . . 3.54 109.651 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' C' ' 329' ' ' THR . 65.0 t80 -55.26 -53.69 52.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.5 109.865 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.69 -36.34 35.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.6599999999999999 109.992 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.27 -50.78 68.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.95 . . . . 1.1499999999999999 110.482 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -60.52 -52.25 65.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.34000000000000002 109.341 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.89 -37.07 41.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.322 -0.861 . . . . 2.9399999999999999 109.716 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.38 -50.79 72.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.18 -0.95 . . . . 1.74 109.846 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.88 -34.54 74.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.907 . . . . 1.0700000000000001 108.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.88 -54.18 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.401 -0.812 . . . . 1.22 109.364 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.57 69.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.347 -0.846 . . . . 1.72 109.769 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.04 2.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 110.046 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -39.05 85.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.289 -0.882 . . . . 1.0800000000000001 109.485 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.03 -34.61 73.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 1.9099999999999999 109.264 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.91 -40.42 95.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 109.094 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -52.54 61.96 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.689 0.756 . . . . 2.1400000000000001 109.146 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.65 -30.66 63.59 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.662 -0.649 . . . . 1.4299999999999999 109.841 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.85 91.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 1.3 109.866 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.447 ' NE2' HD22 ' B' ' 350' ' ' LEU . 1.7 mt-30 -81.96 -5.14 58.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.803 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -17.83 61.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 1.5800000000000001 109.673 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.97 -13.0 70.12 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.738 -1.345 . . . . 1.54 109.738 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.36 132.37 34.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.303 -1.116 . . . . 4.5499999999999998 109.594 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.04 156.16 1.85 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.311 -0.868 . . . . 5.71 109.422 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.78 -1.95 7.7 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.355 2.036 . . . . 6.0899999999999999 110.753 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.539 -1.425 . . . . 7.2400000000000002 109.539 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.25 0.548 . . . . 7.6699999999999999 109.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 22.5 mttp 58.55 -168.11 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 7.46 109.334 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 1.6 ptpt 41.97 82.67 0.22 Allowed Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.418 -0.801 . . . . 6.79 109.629 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.46 -82.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.346 2.03 . . . . 5.1500000000000004 110.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.8 128.25 33.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.985 . . . . 4.6600000000000001 109.464 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.46 129.19 34.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.17 -0.957 . . . . 2.4700000000000002 109.378 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 160.68 50.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.574 -1.41 . . . . 1.0600000000000001 109.574 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.61 131.01 49.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.233 -1.157 . . . . 1.6100000000000001 109.452 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.56 157.52 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.96999999999999997 109.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.5 m-85 -139.19 -173.32 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.203 -0.935 . . . . 0.59999999999999998 109.414 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 39.3 p -153.25 160.42 42.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 1.1000000000000001 109.513 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.02 133.57 18.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.251 -0.905 . . . . 1.1000000000000001 109.311 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.76 129.91 34.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.644 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.3 mt -123.71 111.06 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 1.1699999999999999 109.411 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -73.51 145.93 45.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 2.79 109.417 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.31 127.75 5.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.745 -1.342 . . . . 0.47999999999999998 109.745 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.2 ttt180 -72.55 -54.99 7.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.29 -1.124 . . . . 3.2200000000000002 109.426 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -58.04 -43.79 87.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 2.21 109.564 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.96 -40.43 89.03 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.295 -0.878 . . . . 3.5499999999999998 109.64 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 65.0 t80 -55.39 -53.63 53.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.842 . . . . 0.52000000000000002 109.825 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -50.76 -36.29 35.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 1.6799999999999999 109.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.25 -50.93 68.25 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 110.367 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -60.42 -52.2 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.96 . . . . 0.33000000000000002 109.411 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.99 -37.07 42.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 3.02 109.611 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.37 -50.85 72.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 1.75 109.814 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.87 -34.5 74.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 1.0700000000000001 108.934 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.86 -54.24 49.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.454 -0.779 . . . . 1.21 109.42 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.391 -0.818 . . . . 1.6899999999999999 109.821 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.0 2.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.146 -0.971 . . . . 1.0600000000000001 110.04 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.41 -38.95 85.66 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.441 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.12 -34.52 73.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 1.9299999999999999 109.261 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.447 HD22 ' NE2' ' A' ' 354' ' ' GLN . 20.0 tp -64.91 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 1.1399999999999999 109.096 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -52.65 61.7 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.472 -0.767 . . . . 2.1899999999999999 109.097 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.56 -30.73 63.47 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.76 -0.587 . . . . 1.4299999999999999 109.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.79 91.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 1.3100000000000001 109.872 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -82.04 -5.1 58.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.174 -0.954 . . . . 1.3999999999999999 109.692 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -17.77 61.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.176 -0.952 . . . . 1.5700000000000001 109.679 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.02 -12.9 70.16 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.779 -1.328 . . . . 1.53 109.779 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.39 132.38 34.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -1.174 . . . . 4.5800000000000001 109.607 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.06 156.13 1.89 Allowed Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 5.6799999999999997 109.402 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.8 -1.78 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.268 1.979 . . . . 6.0499999999999998 110.777 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.473 -1.451 . . . . 7.2000000000000002 109.473 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 14.3 tttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.458 -0.571 . . . . 9.2200000000000006 109.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 22.5 mttp 58.5 -168.03 0.14 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.217 -0.927 . . . . 8.5099999999999998 109.424 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 1.6 ptpt 41.94 82.58 0.22 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.479 -0.763 . . . . 7.4199999999999999 109.707 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.45 -82.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.247 1.965 . . . . 5.0499999999999998 110.334 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.71 128.29 33.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.207 -0.933 . . . . 5.1399999999999997 109.452 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.54 129.21 34.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 2.8500000000000001 109.385 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 160.83 51.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.56 -1.416 . . . . 1.27 109.56 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.65 131.02 49.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -1.088 . . . . 2.1099999999999999 109.433 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 18.7 m-85 -93.64 157.56 16.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 1.01 109.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 85.8 m-85 -139.24 -173.33 3.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.57999999999999996 109.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 39.7 p -153.19 160.51 42.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.98 . . . . 1.1599999999999999 109.461 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -148.12 133.48 18.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.37 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.69 129.97 34.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.303 -0.873 . . . . 1.8100000000000001 109.659 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.77 110.9 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 1.1299999999999999 109.445 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.33 145.96 45.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 2.8199999999999998 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.67 5.49 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.779 -1.328 . . . . 0.45000000000000001 109.779 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.4 ttt180 -72.41 -54.99 7.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -1.134 . . . . 3.0800000000000001 109.527 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.11 -43.93 87.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 2.54 109.517 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.87 -40.37 88.42 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.212 -0.93 . . . . 4.1100000000000003 109.621 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' A' ' 329' ' ' THR . 65.0 t80 -55.4 -53.69 53.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.56999999999999995 109.815 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.6 -36.29 34.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 1.6599999999999999 110.071 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.38 -50.91 68.05 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.176 -0.952 . . . . 1.29 110.381 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -60.44 -52.31 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.40000000000000002 109.288 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -50.89 -36.97 40.93 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.438 -0.789 . . . . 3.8500000000000001 109.783 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.41 -50.76 72.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -1.0 . . . . 1.78 109.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.95 -34.48 74.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 1.1699999999999999 108.937 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.84 -54.16 50.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 1.2 109.536 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.79 -28.47 69.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.436 -0.79 . . . . 2.1200000000000001 109.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.57 -61.01 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 1.0700000000000001 109.934 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.48 -38.89 85.73 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.29 -0.881 . . . . 1.1399999999999999 109.48 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.97 -34.59 73.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 2.0899999999999999 109.288 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 20.0 tp -64.89 -40.45 95.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 1.3799999999999999 109.076 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -52.54 61.76 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.641 0.734 . . . . 2.6800000000000002 109.087 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.59 -30.7 63.5 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.664 -0.647 . . . . 1.3400000000000001 109.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.78 91.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 1.3 109.928 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.46 ' NE2' HD22 ' D' ' 350' ' ' LEU . 1.7 mt-30 -82.06 -4.98 58.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.115 -0.991 . . . . 1.8 109.735 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.46 -17.86 61.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 1.47 109.648 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.99 -13.01 70.05 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.713 -1.355 . . . . 1.6599999999999999 109.713 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -88.34 132.38 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -1.198 . . . . 4.7800000000000002 109.633 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 156.16 1.92 Allowed Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.204 -0.935 . . . . 6.1900000000000004 109.453 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.86 -1.73 7.4 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.346 2.031 . . . . 6.1799999999999997 110.715 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.888 -1.507 . . . . 6.9000000000000004 109.554 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 14.2 tttt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.212 0.53 . . . . 7.6900000000000004 109.615 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 22.4 mttp 58.34 -168.05 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.272 -0.893 . . . . 7.4500000000000002 109.47 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 1.6 ptpt 42.02 82.57 0.22 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.497 -0.752 . . . . 6.8399999999999999 109.722 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.43 -82.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.291 1.994 . . . . 5.1200000000000001 110.302 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.78 128.33 33.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 4.6600000000000001 109.394 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.53 129.08 34.14 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 2.46 109.446 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.31 160.75 50.88 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.623 -1.391 . . . . 1.0800000000000001 109.623 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.55 130.88 48.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.256 -1.143 . . . . 1.6699999999999999 109.462 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 18.6 m-85 -93.57 157.46 16.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 1.01 109.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.0 m-85 -139.12 -173.31 3.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.874 . . . . 0.63 109.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.9 p -153.21 160.38 42.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.215 -0.928 . . . . 1.1299999999999999 109.535 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.3 tp -147.98 133.6 18.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.1000000000000001 109.377 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.89 . . . . 1.3700000000000001 109.703 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -123.65 110.84 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 1.1499999999999999 109.46 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.32 145.87 45.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 2.77 109.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.76 5.52 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.666 -1.374 . . . . 0.42999999999999999 109.666 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.3 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -1.092 . . . . 3.1200000000000001 109.497 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -58.08 -43.93 87.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.38 -0.825 . . . . 2.2200000000000002 109.414 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.84 -40.39 88.36 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.286 -0.884 . . . . 3.5 109.673 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.4 -53.73 52.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.297 -0.877 . . . . 0.5 109.834 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.54 -36.31 33.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.6899999999999999 110.133 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -63.39 -50.8 68.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.1 -1.0 . . . . 1.1399999999999999 110.444 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -60.49 -52.2 66.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.988 -1.07 . . . . 0.32000000000000001 109.314 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.06 -36.99 42.89 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.406 -0.808 . . . . 2.96 109.67 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.31 -50.78 72.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 1.75 109.797 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.99 -34.53 74.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 108.876 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.9 -54.18 50.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.414 -0.804 . . . . 1.22 109.373 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.84 -28.52 69.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 1.73 109.78 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.5 -61.08 2.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.985 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.2 mt -60.34 -38.93 85.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.292 -0.88 . . . . 1.1100000000000001 109.5 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.07 -34.53 73.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.277 -0.89 . . . . 1.9099999999999999 109.28 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.46 HD22 ' NE2' ' C' ' 354' ' ' GLN . 20.0 tp -64.92 -40.49 95.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.781 . . . . 1.1699999999999999 109.06 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -52.58 61.9 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.501 -0.749 . . . . 2.1499999999999999 109.161 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.53 -30.7 63.37 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.706 -0.622 . . . . 1.4399999999999999 109.946 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.85 91.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.3 109.901 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -82.09 -4.98 58.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.964 . . . . 1.3999999999999999 109.698 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.77 61.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 1.6000000000000001 109.634 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.98 -13.05 69.98 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.25 132.43 34.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -1.157 . . . . 4.5499999999999998 109.745 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.06 156.23 1.85 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 5.6699999999999999 109.412 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.91 -1.74 7.46 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.287 1.991 . . . . 6.1200000000000001 110.767 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 118.007 -1.44 . . . . 7.2699999999999996 109.624 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.462 -0.57 . . . . 7.6600000000000001 109.462 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.26 -89.95 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 7.5099999999999998 109.351 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 319' ' ' LYS . 1.6 tttt 60.76 87.86 0.13 Allowed Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 6.8099999999999996 109.595 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.04 -151.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.255 1.97 . . . . 5.1500000000000004 110.183 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.5 137.96 37.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 4.7000000000000002 109.507 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 0.6 OUTLIER -79.69 -164.43 0.65 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.311 -0.868 . . . . 2.48 109.529 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 159.44 52.31 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.61 -1.396 . . . . 1.0800000000000001 109.61 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.42 143.06 46.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.284 -1.127 . . . . 1.7 109.454 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.76 152.15 19.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 1.04 109.405 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.1 m-85 -137.73 -168.29 2.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.65000000000000002 109.486 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 10.9 p -153.47 155.18 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.252 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.81 133.01 16.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.091 -1.005 . . . . 1.0900000000000001 109.754 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -85.71 133.02 34.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.883 . . . . 1.3700000000000001 109.154 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.7 114.0 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 109.747 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.29 44.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.429 -0.794 . . . . 2.79 109.442 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 98.17 134.05 8.21 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.665 -1.374 . . . . 0.45000000000000001 109.665 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.4 ttm180 -77.02 -60.79 2.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -1.102 . . . . 3.1600000000000001 109.416 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.97 -38.55 76.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 2.2200000000000002 109.22 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.86 -44.64 94.03 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.309 -0.869 . . . . 3.54 109.413 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.68 -53.58 54.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.5 109.724 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -50.86 -37.33 42.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.186 -0.946 . . . . 1.6599999999999999 110.074 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.61 -50.9 67.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.135 -0.978 . . . . 1.1499999999999999 110.599 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.23 -51.36 69.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.34000000000000002 109.388 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -50.65 -42.08 56.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.435 -0.79 . . . . 2.9399999999999999 109.795 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.31 -42.23 95.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.174 -0.954 . . . . 1.74 109.919 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.2 -45.02 95.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.19 -0.944 . . . . 1.0700000000000001 109.444 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.9 -47.81 81.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.287 -0.883 . . . . 1.22 109.551 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.16 -32.87 73.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 1.72 109.582 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.61 -52.64 64.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 1.0700000000000001 109.745 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.1 -40.29 93.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.359 -0.838 . . . . 1.0800000000000001 109.477 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.95 -38.22 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 1.9099999999999999 109.584 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.431 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 0.7 OUTLIER -64.6 -41.72 96.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 1.1499999999999999 109.231 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 1.1 tppp? -60.29 -45.46 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.549 -0.908 . . . . 2.1400000000000001 108.549 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.94 -29.75 60.63 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.244 -0.65 . . . . 1.4299999999999999 109.244 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.83 95.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 1.3 109.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -82.93 -11.43 58.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 1.4199999999999999 109.054 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.07 -3.98 29.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.368 -0.833 . . . . 1.5800000000000001 109.493 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 38.82 2.98 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.922 -1.271 . . . . 1.54 109.922 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.94 127.01 35.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.144 -1.209 . . . . 4.5499999999999998 109.17 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.39 159.94 0.6 Allowed Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.905 . . . . 5.71 109.518 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 127.17 21.61 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.295 1.996 . . . . 6.0899999999999999 110.201 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.467 -1.453 . . . . 7.2400000000000002 109.467 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' B' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.309 0.576 . . . . 7.6699999999999999 109.514 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.16 -89.88 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.169 -0.957 . . . . 7.46 109.412 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 319' ' ' LYS . 1.6 tttt 60.8 87.83 0.13 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.135 -0.978 . . . . 6.79 109.585 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -59.06 -151.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.182 1.921 . . . . 5.1500000000000004 110.216 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.53 138.02 37.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.164 -0.96 . . . . 4.6600000000000001 109.501 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 0.7 OUTLIER -79.66 -164.36 0.64 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.358 -0.839 . . . . 2.4700000000000002 109.568 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.64 159.49 52.21 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.562 -1.415 . . . . 1.0600000000000001 109.562 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.51 143.14 46.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.178 -1.189 . . . . 1.6100000000000001 109.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -93.79 152.19 19.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.96999999999999997 109.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.7 m-85 -137.78 -168.38 2.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.953 . . . . 0.59999999999999998 109.632 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.1 p -153.38 155.28 36.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.332 -0.855 . . . . 1.1000000000000001 109.249 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.94 132.94 16.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.159 -0.963 . . . . 1.1000000000000001 109.731 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 7.3 tt0 -85.65 133.09 34.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 109.195 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.74 114.04 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.164 -0.96 . . . . 1.1699999999999999 109.672 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 4.1 ttt180 -73.69 146.32 44.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.417 -0.802 . . . . 2.79 109.354 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 98.22 133.92 8.16 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.716 -1.353 . . . . 0.47999999999999998 109.716 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.4 ttm180 -76.91 -60.93 2.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -1.132 . . . . 3.2200000000000002 109.421 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.94 -38.29 75.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.391 -0.818 . . . . 2.21 109.281 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.99 -44.71 94.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.254 -0.904 . . . . 3.5499999999999998 109.378 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.62 -53.69 53.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.428 -0.795 . . . . 0.52000000000000002 109.683 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -50.77 -37.34 41.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.809 . . . . 1.6799999999999999 110.031 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.75 -50.78 67.71 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.098 -1.001 . . . . 1.1499999999999999 110.453 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.37 -51.33 69.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.197 -0.939 . . . . 0.33000000000000002 109.313 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.67 -42.09 56.27 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.436 -0.79 . . . . 3.02 109.77 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.21 -42.31 94.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.226 -0.922 . . . . 1.75 109.931 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.18 -44.99 95.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.479 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.95 -47.74 82.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.436 -0.79 . . . . 1.21 109.539 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.81 73.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.391 -0.818 . . . . 1.6899999999999999 109.572 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.58 64.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 1.0600000000000001 109.822 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.11 -40.35 93.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.239 -0.913 . . . . 1.0800000000000001 109.456 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.88 -38.23 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.883 . . . . 1.9299999999999999 109.53 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -64.72 -41.69 95.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.375 -0.828 . . . . 1.1399999999999999 109.199 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -45.44 93.38 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.577 -0.897 . . . . 2.1899999999999999 108.577 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -55.97 -29.77 60.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.165 -0.68 . . . . 1.4299999999999999 109.165 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.81 95.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.485 -0.76 . . . . 1.3100000000000001 109.143 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.89 -11.39 58.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.3999999999999999 109.076 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.01 -4.12 30.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.924 . . . . 1.5700000000000001 109.526 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 38.7 2.98 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.952 -1.259 . . . . 1.53 109.952 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.89 127.0 35.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.091 -1.241 . . . . 4.5800000000000001 109.203 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 159.91 0.61 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.158 -0.964 . . . . 5.6799999999999997 109.518 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.79 127.33 22.17 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.175 1.917 . . . . 6.0499999999999998 110.205 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 117.986 -1.452 . . . . 7.2000000000000002 109.512 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' C' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.292 0.568 . . . . 9.2200000000000006 109.474 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.17 -89.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.246 -0.909 . . . . 8.5099999999999998 109.385 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' C' ' 319' ' ' LYS . 1.6 tttt 60.76 87.83 0.13 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.163 -0.96 . . . . 7.4199999999999999 109.58 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -59.11 -151.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.108 1.872 . . . . 5.0499999999999998 110.24 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.51 138.04 37.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.189 -0.944 . . . . 5.1399999999999997 109.476 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 0.6 OUTLIER -79.78 -164.42 0.66 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.308 -0.87 . . . . 2.8500000000000001 109.516 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 159.39 52.18 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.597 -1.401 . . . . 1.27 109.597 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.27 143.03 46.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.186 -1.185 . . . . 2.1099999999999999 109.46 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -93.77 152.22 19.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.214 -0.929 . . . . 1.01 109.425 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -137.74 -168.43 2.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.589 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 11.0 p -153.36 155.13 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 1.1599999999999999 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.85 132.99 16.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 1.1699999999999999 109.684 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 7.2 tt0 -85.76 133.05 34.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 1.8100000000000001 109.188 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.6 mt -123.65 113.93 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.112 -0.992 . . . . 1.1299999999999999 109.724 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.32 44.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.381 -0.825 . . . . 2.8199999999999998 109.45 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 98.22 133.97 8.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.688 -1.365 . . . . 0.45000000000000001 109.688 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttm180 -77.05 -60.72 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 3.0800000000000001 109.435 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.99 -38.42 76.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 2.54 109.243 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.91 -44.72 94.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.328 -0.857 . . . . 4.1100000000000003 109.43 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -55.72 -53.53 55.51 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.373 -0.829 . . . . 0.56999999999999995 109.731 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.78 -37.42 42.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 1.6599999999999999 110.051 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.64 -50.79 67.91 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.192 -0.943 . . . . 1.29 110.604 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.28 -51.45 69.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.123 -0.985 . . . . 0.40000000000000002 109.298 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.63 -42.1 55.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.501 -0.749 . . . . 3.8500000000000001 109.814 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.18 -42.38 94.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 109.936 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.11 -44.98 95.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 1.1699999999999999 109.537 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -57.86 -47.81 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.269 -0.895 . . . . 1.2 109.587 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.78 73.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.426 -0.796 . . . . 2.1200000000000001 109.565 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.76 -52.54 64.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.764 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.04 -40.39 93.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.1399999999999999 109.494 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.85 -38.19 81.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 2.0899999999999999 109.605 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.453 HD13 ' HD3' ' D' ' 351' ' ' LYS . 0.7 OUTLIER -64.75 -41.61 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 1.3799999999999999 109.296 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -60.35 -45.22 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.65 -0.87 . . . . 2.6800000000000002 108.65 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -56.07 -29.82 61.09 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.143 -0.688 . . . . 1.3400000000000001 109.143 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.7 94.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.378 -0.826 . . . . 1.3 109.181 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.98 -11.35 58.21 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.94 . . . . 1.8 109.088 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.11 -4.03 30.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.47 109.567 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 38.94 2.98 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.929 -1.268 . . . . 1.6599999999999999 109.929 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -87.01 127.11 35.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.082 -1.246 . . . . 4.7800000000000002 109.157 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.51 159.91 0.63 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 6.1900000000000004 109.486 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.66 127.2 21.87 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.269 1.979 . . . . 6.1799999999999997 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.985 -1.453 . . . . 6.9000000000000004 109.578 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' D' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.389 -0.597 . . . . 7.6900000000000004 109.389 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.24 -89.93 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 7.4500000000000002 109.446 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' D' ' 319' ' ' LYS . 1.6 tttt 60.79 87.9 0.13 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 6.8399999999999999 109.507 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.08 -151.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.193 1.929 . . . . 5.1200000000000001 110.203 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.56 138.02 37.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 4.6600000000000001 109.437 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 0.7 OUTLIER -79.76 -164.39 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.277 -0.89 . . . . 2.46 109.531 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 159.45 52.11 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.59 -1.404 . . . . 1.0800000000000001 109.59 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.4 143.13 46.3 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -1.167 . . . . 1.6699999999999999 109.418 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.86 152.11 19.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.21 -0.931 . . . . 1.01 109.449 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.5 m-85 -137.59 -168.3 2.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.909 . . . . 0.63 109.607 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 11.0 p -153.44 155.21 35.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 1.1299999999999999 109.171 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 20.5 tp -149.94 133.01 16.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 1.1000000000000001 109.698 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 7.2 tt0 -85.74 132.97 34.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 1.3700000000000001 109.166 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.59 113.93 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.085 -1.01 . . . . 1.1499999999999999 109.769 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 4.1 ttt180 -73.57 146.41 44.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 2.77 109.402 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 98.11 133.92 8.14 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.732 -1.347 . . . . 0.42999999999999999 109.732 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.4 ttm180 -76.96 -60.93 2.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -1.167 . . . . 3.1200000000000001 109.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.235 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.87 -44.64 94.05 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.335 -0.853 . . . . 3.5 109.43 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -55.75 -53.59 54.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.444 -0.785 . . . . 0.5 109.673 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.87 -37.24 42.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.151 -0.968 . . . . 1.6899999999999999 110.084 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.77 -50.83 67.48 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.196 -0.94 . . . . 1.1399999999999999 110.479 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -60.36 -51.31 70.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.32000000000000001 109.339 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -50.6 -42.13 55.54 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.487 -0.758 . . . . 2.96 109.714 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.32 -42.31 95.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.198 -0.939 . . . . 1.75 109.836 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.6 mt -62.15 -44.94 95.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.5 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.94 -47.89 81.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 1.22 109.496 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.06 -32.91 73.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 1.73 109.577 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.54 64.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.718 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.1 -40.45 93.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 1.1100000000000001 109.458 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -59.73 -38.27 81.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.9099999999999999 109.587 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -64.74 -41.66 95.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.336 -0.853 . . . . 1.1699999999999999 109.21 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.453 ' HD3' HD13 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -60.3 -45.35 93.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.616 -0.883 . . . . 2.1499999999999999 108.616 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -56.0 -29.8 60.86 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.248 -0.649 . . . . 1.4399999999999999 109.248 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.83 95.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.385 -0.822 . . . . 1.3 109.129 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -82.91 -11.39 58.22 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.359 -0.838 . . . . 1.3999999999999999 109.067 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.12 -3.93 29.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 1.6000000000000001 109.51 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 38.78 2.99 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.897 -1.281 . . . . 1.5 109.897 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.94 127.06 35.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -1.179 . . . . 4.5499999999999998 109.141 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 159.87 0.63 Allowed Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 5.6699999999999999 109.499 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.66 127.27 22.1 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.217 1.944 . . . . 6.1200000000000001 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.952 -1.471 . . . . 7.2699999999999996 109.507 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 7.6600000000000001 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 319' ' ' LYS . 5.4 tttt 60.53 -87.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 7.5099999999999998 109.632 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 323' ' ' LEU . 9.6 mttt 65.5 80.69 0.23 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 6.8099999999999996 109.544 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.19 85.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.249 1.966 . . . . 5.1500000000000004 110.082 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 321' ' ' LYS . 8.8 mt -81.58 7.04 13.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.304 -0.873 . . . . 4.7000000000000002 109.747 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 11.4 m-20 -79.07 -174.13 3.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.186 -0.947 . . . . 2.48 109.606 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 166.38 46.34 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.638 -1.385 . . . . 1.0800000000000001 109.638 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.71 147.11 34.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -1.156 . . . . 1.7 109.625 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 10.5 m-85 -94.16 153.06 18.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 1.04 109.442 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.22 -167.0 2.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.65000000000000002 109.742 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 3.6 p -153.23 159.65 42.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.137 -0.977 . . . . 1.1399999999999999 109.616 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 329' ' ' THR . 20.0 tp -149.82 134.89 17.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 1.0900000000000001 109.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.451 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 12.7 tt0 -86.03 132.75 33.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.314 -0.867 . . . . 1.3700000000000001 109.552 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.524 HG22 ' CD2' ' A' ' 341' ' ' PHE . 39.3 mt -124.01 118.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 109.524 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.5 OUTLIER -73.63 148.16 43.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.96 . . . . 2.79 109.593 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.36 140.39 10.87 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.936 -1.266 . . . . 0.45000000000000001 109.936 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.99 1.97 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 3.1600000000000001 109.382 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -42.24 86.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.184 -0.947 . . . . 2.2200000000000002 109.413 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.526 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 0.3 OUTLIER -60.65 -40.67 92.88 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.246 -0.909 . . . . 3.54 109.453 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -55.14 -56.49 19.34 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.315 -0.866 . . . . 0.5 109.652 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -50.78 -32.06 18.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.6599999999999999 109.833 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.08 -50.05 72.08 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 1.1499999999999999 109.932 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' A' ' 332' ' ' ILE . 21.5 m-85 -60.91 -47.57 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.27 -0.894 . . . . 0.34000000000000002 109.119 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.12 -42.86 60.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -0.837 . . . . 2.9399999999999999 109.391 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -41.0 93.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 1.74 109.842 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.0 -45.51 93.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.501 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' C' ' 331' ' ' GLN . 52.5 t30 -57.98 -49.23 77.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.289 -0.882 . . . . 1.22 109.862 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.41 -34.98 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 1.72 109.779 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.95 72.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.564 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.439 HD12 ' NH1' ' C' ' 337' ' ' ARG . 63.7 mt -61.76 -36.94 82.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.294 -0.879 . . . . 1.0800000000000001 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.45 -39.78 88.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.771 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.515 HD22 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -62.8 -47.28 84.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 1.1499999999999999 109.945 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.95 -40.9 95.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.212 -0.93 . . . . 2.1400000000000001 109.196 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.41 -32.56 64.96 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.573 -0.704 . . . . 1.4299999999999999 109.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.23 83.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.3 109.576 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -5.91 58.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.278 -0.889 . . . . 1.4199999999999999 109.592 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.21 -18.33 61.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 1.5800000000000001 109.614 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 -0.46 87.73 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.618 -1.393 . . . . 1.54 109.618 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.61 -1.2 57.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.208 -1.172 . . . . 4.5499999999999998 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 3.0 mt-10 -52.24 -57.32 15.75 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 120.962 -1.086 . . . . 5.71 109.603 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 1.0 OUTLIER -62.98 -80.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 121.936 1.757 . . . . 6.0899999999999999 110.325 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.454 -1.458 . . . . 7.2400000000000002 109.454 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' B' ' 320' ' ' LYS . 24.3 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.243 0.545 . . . . 7.6699999999999999 109.576 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' B' ' 319' ' ' LYS . 5.4 tttt 60.41 -87.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.317 -0.865 . . . . 7.46 109.709 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.427 ' O ' ' HG ' ' B' ' 323' ' ' LEU . 9.7 mttt 65.51 80.68 0.23 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 6.79 109.537 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.27 85.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.171 1.914 . . . . 5.1500000000000004 110.071 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 321' ' ' LYS . 8.8 mt -81.56 7.12 12.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 4.6600000000000001 109.825 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.42 ' HB3' ' NH1' ' D' ' 333' ' ' ARG . 11.4 m-20 -79.22 -174.33 4.08 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 2.4700000000000002 109.57 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 166.28 45.16 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.616 -1.394 . . . . 1.0600000000000001 109.616 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.57 147.1 33.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.128 -1.219 . . . . 1.6100000000000001 109.641 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.4 m-85 -94.22 153.09 18.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.96999999999999997 109.422 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.6 m-85 -139.19 -167.13 2.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.095 -1.003 . . . . 0.59999999999999998 109.755 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.5 p -153.15 159.73 42.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 1.1000000000000001 109.603 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' D' ' 329' ' ' THR . 20.3 tp -149.94 134.85 17.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.306 -0.871 . . . . 1.1000000000000001 109.431 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -86.05 132.83 33.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.3600000000000001 109.594 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.524 HG22 ' CD2' ' B' ' 341' ' ' PHE . 39.4 mt -124.09 119.02 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.293 -0.879 . . . . 1.1699999999999999 109.456 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' D' ' 324' ' ' ASP . 0.5 OUTLIER -73.65 148.28 42.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 2.79 109.659 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.33 140.48 10.93 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.896 -1.282 . . . . 0.47999999999999998 109.896 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.96 1.98 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -1.12 . . . . 3.2200000000000002 109.378 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -42.29 87.69 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.229 -0.92 . . . . 2.21 109.413 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.517 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -60.5 -40.64 92.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.29 -0.881 . . . . 3.5499999999999998 109.48 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.2 t80 -55.37 -56.17 23.15 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.396 -0.815 . . . . 0.52000000000000002 109.697 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.97 -31.89 19.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 1.6799999999999999 109.88 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.15 -50.02 72.04 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 109.95 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.524 ' CD2' HG22 ' B' ' 332' ' ' ILE . 21.4 m-85 -60.9 -47.5 86.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.33000000000000002 109.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -51.22 -42.91 61.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 3.02 109.417 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -41.08 93.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 1.75 109.83 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.99 -45.43 93.65 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 109.486 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.17 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.884 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.3 -35.09 76.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 109.78 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -50.78 72.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 1.0600000000000001 109.505 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.504 HD12 ' NH1' ' D' ' 337' ' ' ARG . 64.7 mt -61.99 -36.8 82.59 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.374 -0.829 . . . . 1.0800000000000001 109.199 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.62 -39.63 88.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 1.9299999999999999 109.823 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -62.86 -47.14 84.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 1.1399999999999999 109.952 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -61.04 -40.85 95.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.23 -0.919 . . . . 2.1899999999999999 109.189 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.36 -32.66 64.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.403 -0.811 . . . . 1.4299999999999999 109.352 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.29 84.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.3100000000000001 109.613 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.515 ' NE2' HD22 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.64 -5.89 58.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 1.3999999999999999 109.572 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -18.15 61.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.5700000000000001 109.58 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 -0.4 87.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.624 -1.391 . . . . 1.53 109.624 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -87.6 -1.2 57.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -1.144 . . . . 4.5800000000000001 110.284 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.558 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 3.1 mt-10 -52.06 -57.43 15.12 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.964 -1.085 . . . . 5.6799999999999997 109.6 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.558 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 1.0 OUTLIER -63.03 -81.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.067 1.845 . . . . 6.0499999999999998 110.109 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.486 -1.446 . . . . 7.2000000000000002 109.486 -179.751 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' C' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.573 -0.528 . . . . 9.2200000000000006 109.573 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' C' ' 319' ' ' LYS . 5.4 tttt 60.5 -87.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 8.5099999999999998 109.646 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' C' ' 323' ' ' LEU . 9.7 mttt 65.6 80.67 0.23 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 7.4199999999999999 109.549 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.19 85.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.213 1.942 . . . . 5.0499999999999998 110.078 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' C' ' 321' ' ' LYS . 8.7 mt -81.56 7.16 12.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.242 -0.911 . . . . 5.1399999999999997 109.858 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 12.0 m-20 -79.18 -174.02 3.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 2.8500000000000001 109.598 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 166.2 46.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.627 -1.389 . . . . 1.27 109.627 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.57 147.06 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -1.151 . . . . 2.1099999999999999 109.683 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 10.4 m-85 -94.19 153.19 18.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.01 109.402 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.2 m-85 -139.28 -166.96 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.57999999999999996 109.665 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.7 p -153.2 159.65 42.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.1599999999999999 109.58 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.9 tp -149.83 134.92 17.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.508 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 12.7 tt0 -86.12 132.77 33.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.25 -0.907 . . . . 1.8100000000000001 109.584 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' C' ' 341' ' ' PHE . 39.0 mt -124.02 119.03 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.926 . . . . 1.1299999999999999 109.51 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.424 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.5 OUTLIER -73.72 148.05 43.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.307 -0.871 . . . . 2.8199999999999998 109.591 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.44 140.57 11.02 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.863 -1.295 . . . . 0.45000000000000001 109.863 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.6 ttt180 -83.29 -61.06 1.95 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.244 -1.151 . . . . 3.0800000000000001 109.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.25 87.35 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.256 -0.903 . . . . 2.54 109.481 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.515 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 0.3 OUTLIER -60.49 -40.5 91.55 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.158 -0.964 . . . . 4.1100000000000003 109.599 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.3 t80 -55.38 -56.39 20.67 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.418 -0.801 . . . . 0.56999999999999995 109.644 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -50.76 -32.01 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 1.6599999999999999 109.802 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.08 -50.09 71.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.101 -0.999 . . . . 1.29 109.943 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.513 ' CD2' HG22 ' C' ' 332' ' ' ILE . 21.0 m-85 -60.97 -47.6 85.67 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.207 -0.933 . . . . 0.40000000000000002 109.048 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -51.13 -42.87 60.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 3.8500000000000001 109.489 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -41.0 93.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.338 -0.851 . . . . 1.78 109.805 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.11 -45.5 93.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.1699999999999999 109.522 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.04 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.2 109.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.42 -35.16 76.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 2.1200000000000001 109.713 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.01 -50.82 72.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 109.532 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.451 HD12 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.79 -36.94 82.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.428 -0.795 . . . . 1.1399999999999999 109.257 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.54 -39.6 88.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.366 -0.834 . . . . 2.0899999999999999 109.818 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.89 -47.37 83.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 1.3799999999999999 109.911 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.95 -40.82 94.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 2.6800000000000002 109.152 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.44 -32.56 65.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.449 -0.782 . . . . 1.3400000000000001 109.352 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.34 84.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.309 -0.869 . . . . 1.3 109.614 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD22 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.59 -5.83 58.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.8 109.578 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.26 61.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.923 . . . . 1.47 109.603 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.7 -0.46 87.79 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.716 -1.353 . . . . 1.6599999999999999 109.716 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.59 -1.29 57.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.299 -1.118 . . . . 4.7800000000000002 110.285 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.553 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 3.1 mt-10 -52.04 -57.4 15.18 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 120.892 -1.13 . . . . 6.1900000000000004 109.666 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.553 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 0.9 OUTLIER -63.01 -81.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 121.996 1.798 . . . . 6.1799999999999997 110.302 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.876 -1.513 . . . . 6.9000000000000004 109.573 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' D' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.212 0.53 . . . . 7.6900000000000004 109.634 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' D' ' 319' ' ' LYS . 5.4 tttt 60.48 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.34 -0.85 . . . . 7.4500000000000002 109.675 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' D' ' 323' ' ' LEU . 9.6 mttt 65.5 80.73 0.22 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.94 . . . . 6.8399999999999999 109.549 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.28 85.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.215 1.943 . . . . 5.1200000000000001 110.177 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' D' ' 321' ' ' LYS . 8.8 mt -81.46 7.1 12.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.259 -0.9 . . . . 4.6600000000000001 109.785 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.447 ' HB3' ' NH1' ' B' ' 333' ' ' ARG . 11.8 m-20 -79.12 -174.01 3.89 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.311 -0.868 . . . . 2.46 109.619 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 166.3 46.57 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.646 -1.381 . . . . 1.0800000000000001 109.646 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.65 147.07 33.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -1.159 . . . . 1.6699999999999999 109.638 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.7 m-85 -94.31 153.23 18.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.257 -0.902 . . . . 1.01 109.329 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.4 m-85 -139.35 -167.07 2.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.63 109.629 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.6 p -153.17 159.75 42.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 1.1299999999999999 109.588 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.1 tp -149.9 134.76 17.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -0.959 . . . . 1.1000000000000001 109.463 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 12.6 tt0 -86.0 132.84 33.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.205 -0.934 . . . . 1.3700000000000001 109.626 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.517 HG22 ' CD2' ' D' ' 341' ' ' PHE . 39.7 mt -124.14 119.05 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 109.412 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' B' ' 324' ' ' ASP . 0.5 OUTLIER -73.7 148.22 42.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 2.77 109.53 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.29 140.52 10.94 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.887 -1.285 . . . . 0.42999999999999999 109.887 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.4 ttt180 -83.25 -60.86 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 3.1200000000000001 109.499 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.38 88.1 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.323 -0.861 . . . . 2.2200000000000002 109.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.512 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 0.3 OUTLIER -60.45 -40.63 91.84 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.29 -0.881 . . . . 3.5 109.51 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.1 t80 -55.31 -56.31 21.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.489 -0.757 . . . . 0.5 109.607 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.91 -31.94 19.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.6899999999999999 109.778 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.13 -49.97 72.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 109.966 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.517 ' CD2' HG22 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.08 -47.66 85.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.224 -0.923 . . . . 0.32000000000000001 109.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -42.94 60.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.96 109.416 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.99 93.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.289 -0.882 . . . . 1.75 109.88 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 31.1 mt -62.07 -45.47 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 109.518 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' B' ' 331' ' ' GLN . 52.2 t30 -58.04 -49.17 77.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.38 -0.825 . . . . 1.22 109.831 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.33 -35.17 76.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.73 109.74 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.88 -51.06 71.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.536 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.498 HD12 ' NH1' ' B' ' 337' ' ' ARG . 63.7 mt -61.79 -36.76 82.03 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.295 -0.878 . . . . 1.1100000000000001 109.333 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.63 -39.69 89.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.9099999999999999 109.753 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.458 HD22 ' NE2' ' C' ' 354' ' ' GLN . 12.6 tp -62.73 -47.31 84.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.94 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.89 -40.92 94.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.398 -0.814 . . . . 2.1499999999999999 109.265 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.42 -32.54 64.95 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.479 -0.763 . . . . 1.4399999999999999 109.318 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.44 84.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.377 -0.827 . . . . 1.3 109.533 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -5.99 58.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.611 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.25 61.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.159 -0.963 . . . . 1.6000000000000001 109.634 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -0.56 87.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.696 -1.362 . . . . 1.5 109.696 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.61 -1.11 57.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -1.209 . . . . 4.5499999999999998 110.263 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.563 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 3.1 mt-10 -52.16 -57.42 15.27 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.978 -1.076 . . . . 5.6699999999999999 109.625 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 0.9 OUTLIER -62.96 -81.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.969 1.779 . . . . 6.1200000000000001 110.353 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 CA-C-O 117.947 -1.474 . . . . 7.2699999999999996 109.539 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.294 0.569 . . . . 7.6600000000000001 109.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 321' ' ' LYS . 9.5 mttt 61.57 16.23 7.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 7.5099999999999998 109.39 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 320' ' ' LYS . 63.4 mmtt 61.06 143.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 6.8099999999999996 109.387 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -82.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.047 1.832 . . . . 5.1500000000000004 110.1 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 94.2 mt -83.03 109.32 17.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.174 -0.954 . . . . 4.7000000000000002 109.525 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.99 -152.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 2.48 109.222 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.0 163.89 47.3 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.207 -1.557 . . . . 1.0800000000000001 109.207 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -58.29 131.43 50.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.247 . . . . 1.7 109.492 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 18.0 m-85 -93.9 156.63 16.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 1.04 109.445 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.2 m-85 -139.11 -168.99 2.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.894 . . . . 0.65000000000000002 109.425 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.458 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 11.2 p -152.78 161.09 43.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 1.1399999999999999 109.573 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' C' ' 329' ' ' THR . 17.2 tp -147.87 130.92 16.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 1.0900000000000001 109.423 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.74 130.99 34.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 1.3700000000000001 109.715 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.92 121.09 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.154 -0.966 . . . . 1.1499999999999999 109.472 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -73.75 147.92 43.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 2.79 109.506 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 139.2 7.64 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.791 -1.324 . . . . 0.45000000000000001 109.791 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 22.8 ttp180 -82.78 -55.12 4.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.372 -1.075 . . . . 3.1600000000000001 109.519 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -58.41 -44.62 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.39 -0.819 . . . . 2.2200000000000002 109.477 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.524 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -41.94 94.76 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.144 -0.972 . . . . 3.54 109.262 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 52.8 t80 -55.93 -52.12 65.23 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.46 -0.775 . . . . 0.5 109.78 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.46 -36.13 32.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.418 -0.801 . . . . 1.6599999999999999 110.086 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -62.82 -48.44 79.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.117 -0.989 . . . . 1.1499999999999999 110.011 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -60.96 -49.06 78.99 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.283 -0.886 . . . . 0.34000000000000002 109.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.13 -41.99 60.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.44 -0.788 . . . . 2.9399999999999999 109.599 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.17 -41.65 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 1.74 109.847 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 28.4 mt -62.08 -45.87 91.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 1.0700000000000001 109.524 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -57.59 -45.24 85.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.22 109.519 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.06 -37.31 84.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 1.72 109.777 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -50.67 72.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.918 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.505 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 20.2 mt -61.11 -40.45 93.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 1.0800000000000001 109.696 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.94 -39.02 87.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.99 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 12.6 tp -64.03 -44.53 92.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 1.1499999999999999 109.881 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 26.5 ttmt -62.14 -43.09 99.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 2.1400000000000001 109.341 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.92 -33.35 66.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.505 -0.747 . . . . 1.4299999999999999 109.803 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.59 79.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 1.3 109.772 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -81.53 -7.33 59.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.183 -0.948 . . . . 1.4199999999999999 109.516 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.81 -90.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.329 -0.857 . . . . 1.5800000000000001 109.513 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 109.9 3.36 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.719 -1.352 . . . . 1.54 109.719 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.1 135.69 33.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.147 -1.208 . . . . 4.5499999999999998 109.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 108.56 0.98 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.224 -0.923 . . . . 5.71 109.447 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.73 -172.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.061 1.84 . . . . 6.0899999999999999 110.244 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.945 -1.475 . . . . 7.2400000000000002 109.483 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.317 0.579 . . . . 7.6699999999999999 109.442 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' B' ' 321' ' ' LYS . 9.6 mttt 61.45 16.23 7.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.15 -0.969 . . . . 7.46 109.463 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' B' ' 320' ' ' LYS . 63.5 mmtt 61.14 142.98 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 6.79 109.453 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -82.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.007 1.805 . . . . 5.1500000000000004 110.188 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 94.4 mt -82.93 109.31 16.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 4.6600000000000001 109.621 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.476 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 2.1 m-20 -81.02 -153.02 0.09 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.285 -0.885 . . . . 2.4700000000000002 109.134 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -67.78 163.84 46.7 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.226 -1.55 . . . . 1.0600000000000001 109.226 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.23 131.39 50.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.158 -1.201 . . . . 1.6100000000000001 109.464 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 17.8 m-85 -93.91 156.56 16.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.96999999999999997 109.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 74.1 m-85 -139.1 -168.96 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.59999999999999998 109.519 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 11.3 p -152.72 161.06 43.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.141 -0.975 . . . . 1.1000000000000001 109.642 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' D' ' 329' ' ' THR . 17.4 tp -147.84 130.82 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.927 . . . . 1.1000000000000001 109.385 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 45.6 tt0 -86.68 130.95 34.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 1.3600000000000001 109.756 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.84 121.02 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.939 . . . . 1.1699999999999999 109.552 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' D' ' 324' ' ' ASP . 54.7 ttt180 -73.68 147.86 43.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 2.79 109.609 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.31 139.23 7.71 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.799 -1.32 . . . . 0.47999999999999998 109.799 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 22.9 ttp180 -82.84 -55.18 4.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -1.157 . . . . 3.2200000000000002 109.462 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.39 -44.53 89.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.21 109.511 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.38 -42.01 94.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.252 -0.905 . . . . 3.5499999999999998 109.345 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.5 t80 -55.74 -52.27 64.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -0.81 . . . . 0.52000000000000002 109.782 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.5 -36.14 32.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.6799999999999999 110.07 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.79 -48.29 79.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.134 -0.979 . . . . 1.1499999999999999 110.095 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.403 ' CZ ' ' HA ' ' D' ' 345' ' ' ASN . 24.1 m-85 -61.02 -49.3 77.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.945 . . . . 0.33000000000000002 109.223 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -50.9 -42.07 58.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 3.02 109.627 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -0.893 . . . . 1.75 109.824 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 28.2 mt -62.11 -45.91 91.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 109.495 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.408 ' HA ' ' CZ ' ' D' ' 341' ' ' PHE . 56.6 t30 -57.62 -45.26 85.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.392 -0.818 . . . . 1.21 109.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.97 -37.33 84.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.872 . . . . 1.6899999999999999 109.819 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.6 73.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.185 -0.947 . . . . 1.0600000000000001 109.915 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.451 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 20.1 mt -61.19 -40.48 94.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.338 -0.851 . . . . 1.0800000000000001 109.729 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.84 -39.0 87.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 1.9299999999999999 110.02 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 12.6 tp -63.99 -44.56 92.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 109.921 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 26.6 ttmt -62.13 -43.13 99.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 2.1899999999999999 109.31 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -56.99 -33.31 66.99 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.464 -0.773 . . . . 1.4299999999999999 109.799 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.41 79.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.859 . . . . 1.3100000000000001 109.789 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -81.55 -7.42 59.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 1.3999999999999999 109.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.84 -90.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 1.5700000000000001 109.43 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 109.92 3.36 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.724 -1.35 . . . . 1.53 109.724 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -87.12 135.57 33.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -1.235 . . . . 4.5800000000000001 109.486 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.88 108.53 0.97 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 5.6799999999999997 109.499 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.59 -172.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.051 1.834 . . . . 6.0499999999999998 110.339 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.455 -1.458 . . . . 7.2000000000000002 109.455 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 mttp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.394 -0.595 . . . . 9.2200000000000006 109.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' C' ' 321' ' ' LYS . 9.5 mttt 61.4 16.3 7.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.262 -0.899 . . . . 8.5099999999999998 109.435 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' C' ' 320' ' ' LYS . 63.5 mmtt 61.01 143.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 7.4199999999999999 109.469 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.15 -82.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.143 1.896 . . . . 5.0499999999999998 110.172 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 94.4 mt -82.95 109.16 16.82 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.19 -0.944 . . . . 5.1399999999999997 109.566 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.97 -153.05 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 2.8500000000000001 109.217 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.81 163.82 46.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.26 -1.536 . . . . 1.27 109.26 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.22 131.34 50.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -1.176 . . . . 2.1099999999999999 109.493 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 17.4 m-85 -93.84 156.61 16.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 1.01 109.521 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.5 m-85 -139.07 -168.88 2.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.57999999999999996 109.524 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.3 p -152.86 160.91 43.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.106 -0.996 . . . . 1.1599999999999999 109.693 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' A' ' 329' ' ' THR . 17.3 tp -147.75 130.93 16.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 1.1699999999999999 109.419 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 45.6 tt0 -86.81 131.03 34.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.8100000000000001 109.705 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 121.0 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 1.1299999999999999 109.495 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -73.73 147.87 43.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 2.8199999999999998 109.546 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 139.07 7.58 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.836 -1.306 . . . . 0.45000000000000001 109.836 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.8 ttp180 -82.63 -55.12 4.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.361 -1.082 . . . . 3.0800000000000001 109.51 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.48 -44.47 89.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.35 -0.844 . . . . 2.54 109.385 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.54 -41.99 95.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 4.1100000000000003 109.2 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.0 t80 -55.79 -52.19 64.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.56999999999999995 109.801 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -50.55 -36.03 32.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 1.6599999999999999 110.05 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.88 -48.37 79.3 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.162 -0.961 . . . . 1.29 109.925 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.06 -49.09 78.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.204 -0.935 . . . . 0.40000000000000002 109.24 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.12 -42.04 60.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.493 -0.754 . . . . 3.8500000000000001 109.578 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.09 -41.64 92.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 1.78 109.809 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.11 -45.87 91.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 1.1699999999999999 109.505 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -57.6 -45.26 85.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 1.2 109.487 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -62.01 -37.44 84.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.317 -0.864 . . . . 2.1200000000000001 109.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.62 73.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.99 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 20.5 mt -61.25 -40.39 93.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.1399999999999999 109.707 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -39.04 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 2.0899999999999999 109.979 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.428 ' CD2' ' NE2' ' D' ' 354' ' ' GLN . 12.6 tp -63.99 -44.5 92.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 1.3799999999999999 109.96 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.48 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 26.5 ttmt -62.03 -43.24 99.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 2.6800000000000002 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.51 -0.744 . . . . 1.3400000000000001 109.735 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.45 79.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 1.3 109.781 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -81.64 -7.32 59.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.8 109.412 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -90.39 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 1.47 109.426 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 109.89 3.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.723 -1.351 . . . . 1.6599999999999999 109.723 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.13 135.67 33.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.175 -1.191 . . . . 4.7800000000000002 109.469 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.85 108.53 0.97 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.922 . . . . 6.1900000000000004 109.516 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.68 -172.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.025 1.816 . . . . 6.1799999999999997 110.332 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.468 -1.453 . . . . 6.9000000000000004 109.468 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.416 -0.587 . . . . 7.6900000000000004 109.416 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' D' ' 321' ' ' LYS . 9.5 mttt 61.53 16.17 7.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.276 -0.89 . . . . 7.4500000000000002 109.375 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' D' ' 320' ' ' LYS . 63.5 mmtt 61.14 143.05 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.311 -0.868 . . . . 6.8399999999999999 109.375 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -82.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.084 1.856 . . . . 5.1200000000000001 110.153 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.85 109.21 16.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 4.6600000000000001 109.602 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 2.1 m-20 -81.0 -152.96 0.09 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 2.46 109.233 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.91 163.75 47.19 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.196 -1.562 . . . . 1.0800000000000001 109.196 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.19 131.49 50.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -1.14 . . . . 1.6699999999999999 109.428 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 17.9 m-85 -93.98 156.69 16.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.912 . . . . 1.01 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.15 -168.98 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.63 109.463 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.1 p -152.84 160.95 43.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.11 -0.994 . . . . 1.1299999999999999 109.657 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' B' ' 329' ' ' THR . 17.4 tp -147.73 130.81 16.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 1.1000000000000001 109.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 45.7 tt0 -86.78 131.08 34.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.233 -0.917 . . . . 1.3700000000000001 109.694 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.94 121.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 1.1499999999999999 109.474 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' B' ' 324' ' ' ASP . 54.7 ttt180 -73.65 147.8 43.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.308 -0.87 . . . . 2.77 109.538 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.36 139.26 7.75 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.798 -1.321 . . . . 0.42999999999999999 109.798 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.9 ttp180 -82.8 -55.19 4.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.348 -1.09 . . . . 3.1200000000000001 109.488 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -58.3 -44.74 88.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.368 -0.833 . . . . 2.2200000000000002 109.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.28 -41.97 94.46 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.284 -0.885 . . . . 3.5 109.332 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.3 t80 -55.83 -52.19 64.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.5 109.822 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.41 -36.22 31.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.6899999999999999 110.067 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.81 -48.3 79.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 110.035 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' B' ' 345' ' ' ASN . 24.3 m-85 -60.97 -49.22 78.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.18 -0.95 . . . . 0.32000000000000001 109.259 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.1 -41.95 60.32 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.474 -0.766 . . . . 2.96 109.56 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.25 -41.53 93.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 1.75 109.799 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 28.5 mt -62.1 -45.88 91.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 1.0800000000000001 109.564 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 56.4 t30 -57.64 -45.22 85.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.22 109.5 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.03 -37.24 84.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.73 109.862 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.62 73.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.315 -0.865 . . . . 1.0700000000000001 109.918 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.477 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 20.3 mt -61.27 -40.45 94.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.334 -0.854 . . . . 1.1100000000000001 109.719 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.79 -38.96 87.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.282 -0.886 . . . . 1.9099999999999999 109.963 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 12.6 tp -64.19 -44.51 91.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 1.1699999999999999 109.792 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -62.01 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 2.1499999999999999 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -57.04 -33.31 67.09 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.56 -0.712 . . . . 1.4399999999999999 109.677 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.48 79.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.344 -0.847 . . . . 1.3 109.755 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.428 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 5.1 mt-30 -81.65 -7.25 59.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 1.3999999999999999 109.432 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.87 -90.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 1.6000000000000001 109.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 109.81 3.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.724 -1.35 . . . . 1.5 109.724 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.17 135.64 33.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -1.214 . . . . 4.5499999999999998 109.462 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.79 108.5 0.96 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.284 -0.885 . . . . 5.6699999999999999 109.536 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.58 -172.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.05 1.833 . . . . 6.1200000000000001 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 109.444 -1.462 . . . . 7.2699999999999996 109.444 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.325 0.583 . . . . 7.6600000000000001 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 321' ' ' LYS . 13.9 mttt 60.02 18.56 7.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 7.5099999999999998 109.515 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.7 mttt 62.62 146.02 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.26 -0.9 . . . . 6.8099999999999996 109.377 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -62.94 -82.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.011 1.807 . . . . 5.1500000000000004 110.154 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.5 113.16 20.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.138 -0.976 . . . . 4.7000000000000002 109.44 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.97 -100.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 2.48 109.193 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.77 154.1 52.67 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.243 -1.543 . . . . 1.0800000000000001 109.243 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.1 mt-10 -58.6 132.7 54.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.162 -1.199 . . . . 1.7 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 20.6 m-85 -94.87 146.97 23.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 1.04 109.693 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 46.4 m-85 -140.37 140.19 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.65000000000000002 109.418 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.27 171.68 8.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 1.1399999999999999 109.627 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 25.1 tp -149.75 134.08 17.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 1.0900000000000001 109.681 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.73 122.91 31.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 109.5 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -124.16 109.12 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.344 -0.847 . . . . 1.1499999999999999 109.805 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -74.5 146.01 43.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.916 . . . . 2.79 109.47 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.68 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.889 -1.285 . . . . 0.45000000000000001 109.889 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.495 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.3 ttt180 -80.73 -54.46 5.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -1.146 . . . . 3.1600000000000001 109.27 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.58 -44.7 89.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 2.2200000000000002 109.281 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.28 -44.43 95.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.429 -0.794 . . . . 3.54 109.522 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.61 -54.18 44.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.5 109.526 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.5 -39.07 56.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 110.073 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.63 -47.03 85.51 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.192 -0.943 . . . . 1.1499999999999999 110.212 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -49.51 76.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.125 -0.984 . . . . 0.34000000000000002 109.352 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.05 -39.6 56.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 2.9399999999999999 109.394 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.29 -43.08 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 1.74 109.73 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 97.1 mt -62.46 -44.98 95.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.52 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.74 -45.52 85.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.852 . . . . 1.22 109.734 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.54 -37.18 85.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 1.72 109.645 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -52.05 67.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 1.0700000000000001 109.936 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.304 -0.873 . . . . 1.0800000000000001 109.551 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -59.56 -37.37 78.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.478 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.53 -40.67 97.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 1.1499999999999999 109.094 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -52.52 63.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.025 -0.731 . . . . 2.1400000000000001 109.025 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.51 -29.79 62.25 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.616 -0.677 . . . . 1.4299999999999999 109.679 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.05 92.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.347 -0.846 . . . . 1.3 109.699 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.72 -13.53 53.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.4199999999999999 109.551 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.3 55.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 1.5800000000000001 109.527 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 42.46 3.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.996 -1.242 . . . . 1.54 109.996 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.21 145.04 27.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -1.217 . . . . 4.5499999999999998 109.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.76 154.42 2.4 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 5.71 109.668 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.14 135.78 60.71 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.171 1.914 . . . . 6.0899999999999999 110.139 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.965 -1.464 . . . . 7.2400000000000002 109.537 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.453 -0.573 . . . . 7.6699999999999999 109.453 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 321' ' ' LYS . 13.9 mttt 59.99 18.48 7.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 7.46 109.547 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.7 mttt 62.74 146.11 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 6.79 109.368 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.1 -82.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.105 1.87 . . . . 5.1500000000000004 110.161 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.59 113.17 20.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 4.6600000000000001 109.385 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -100.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -0.993 . . . . 2.4700000000000002 109.278 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.25 154.03 52.28 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.235 -1.546 . . . . 1.0600000000000001 109.235 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.513 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 47.2 mt-10 -58.46 132.62 54.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.137 -1.213 . . . . 1.6100000000000001 109.264 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.542 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 21.0 m-85 -94.86 147.05 23.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.96999999999999997 109.585 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 45.7 m-85 -140.47 140.19 35.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.868 . . . . 0.59999999999999998 109.39 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.4 p -92.25 171.64 8.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.447 -0.783 . . . . 1.1000000000000001 109.601 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 25.3 tp -149.77 134.13 17.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.604 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.84 122.91 31.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 1.3600000000000001 109.517 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.14 108.95 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.48 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -74.43 145.99 43.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.201 -0.937 . . . . 2.79 109.532 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.69 134.8 8.64 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.876 -1.29 . . . . 0.47999999999999998 109.876 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.2 ttt180 -80.76 -54.31 5.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -1.121 . . . . 3.2200000000000002 109.312 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.66 -44.71 90.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 2.21 109.356 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.44 95.15 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.344 -0.848 . . . . 3.5499999999999998 109.606 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -54.53 -54.31 42.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.348 -0.845 . . . . 0.52000000000000002 109.557 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.55 -38.97 56.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -0.861 . . . . 1.6799999999999999 110.061 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.54 -47.08 85.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.154 -0.966 . . . . 1.1499999999999999 110.217 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -49.49 76.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.138 -0.976 . . . . 0.33000000000000002 109.256 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -50.94 -39.54 55.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 3.02 109.541 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.39 -43.02 97.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.185 -0.947 . . . . 1.75 109.689 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.56 -44.84 95.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 1.0700000000000001 109.617 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.8 -45.5 85.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.321 -0.862 . . . . 1.21 109.777 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.53 -37.19 85.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 1.6899999999999999 109.643 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.94 67.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 1.0600000000000001 109.985 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.27 -40.78 95.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.331 -0.856 . . . . 1.0800000000000001 109.527 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.6 -37.22 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.9299999999999999 109.463 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.7 -40.56 97.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.271 -0.893 . . . . 1.1399999999999999 109.173 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -52.59 63.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.065 -0.717 . . . . 2.1899999999999999 109.065 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.5 -29.78 62.23 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.647 -0.658 . . . . 1.4299999999999999 109.716 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.12 92.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 1.3100000000000001 109.733 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.6 -13.67 53.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.114 -0.991 . . . . 1.3999999999999999 109.56 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.14 54.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.225 -0.922 . . . . 1.5700000000000001 109.577 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.68 42.46 3.15 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.898 -1.281 . . . . 1.53 109.898 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.25 145.02 27.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.103 -1.233 . . . . 4.5800000000000001 109.445 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.81 154.5 2.39 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.154 -0.966 . . . . 5.6799999999999997 109.548 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.17 135.74 60.35 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.136 1.89 . . . . 6.0499999999999998 110.22 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 118.024 -1.431 . . . . 7.2000000000000002 109.563 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.423 -0.584 . . . . 9.2200000000000006 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' C' ' 321' ' ' LYS . 14.0 mttt 60.04 18.42 7.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 8.5099999999999998 109.59 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.7 mttt 62.77 145.99 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.344 -0.848 . . . . 7.4199999999999999 109.378 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.99 -82.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.997 1.798 . . . . 5.0499999999999998 110.192 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.9 mt -82.53 113.14 20.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.14 -0.975 . . . . 5.1399999999999997 109.416 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.93 -100.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 2.8500000000000001 109.253 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 154.0 52.55 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.312 -1.515 . . . . 1.27 109.312 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.509 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 47.3 mt-10 -58.39 132.58 54.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.148 -1.207 . . . . 2.1099999999999999 109.31 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.441 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 21.1 m-85 -94.89 146.98 23.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 1.01 109.612 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 46.3 m-85 -140.4 140.18 35.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.188 -0.945 . . . . 0.57999999999999996 109.362 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.5 p -92.22 171.75 8.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.885 . . . . 1.1599999999999999 109.659 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 25.2 tp -149.8 133.98 17.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 1.1699999999999999 109.685 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.65 122.92 31.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.8100000000000001 109.562 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.2 108.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.188 -0.945 . . . . 1.1299999999999999 109.878 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -74.34 146.04 43.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 2.8199999999999998 109.486 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.63 134.79 8.64 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.992 -1.243 . . . . 0.45000000000000001 109.992 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.2 ttt180 -80.66 -54.52 5.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -1.084 . . . . 3.0800000000000001 109.296 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.51 -44.84 89.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.201 -0.937 . . . . 2.54 109.297 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.37 95.2 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.252 -0.905 . . . . 4.1100000000000003 109.64 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.62 -54.27 43.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.851 . . . . 0.56999999999999995 109.493 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -51.51 -38.93 56.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 1.6599999999999999 110.141 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.59 -47.18 84.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.175 -0.953 . . . . 1.29 110.15 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.3 -49.44 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.92 . . . . 0.40000000000000002 109.327 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.0 -39.55 56.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.35 -0.844 . . . . 3.8500000000000001 109.518 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.257 -0.902 . . . . 1.78 109.739 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.5 -44.87 95.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.875 . . . . 1.1699999999999999 109.597 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -45.52 86.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.2 109.708 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.44 -37.24 85.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.921 . . . . 2.1200000000000001 109.647 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.99 67.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 109.929 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.22 -40.77 95.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 109.615 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.55 -37.24 77.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.237 -0.915 . . . . 2.0899999999999999 109.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.411 ' HG ' HD22 ' D' ' 350' ' ' LEU . 14.4 tp -63.67 -40.6 97.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 1.3799999999999999 109.105 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -52.56 63.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.429 -0.794 . . . . 2.6800000000000002 109.056 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.41 -29.86 62.08 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.644 -0.66 . . . . 1.3400000000000001 109.707 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.03 92.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 1.3 109.699 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -83.69 -13.52 53.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.8 109.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.33 -8.18 54.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.116 -0.99 . . . . 1.47 109.494 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 42.5 3.16 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.954 -1.258 . . . . 1.6599999999999999 109.954 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 145.06 27.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.034 -1.274 . . . . 4.7800000000000002 109.435 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.85 154.41 2.46 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.245 -0.909 . . . . 6.1900000000000004 109.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.06 135.65 60.22 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.16 1.907 . . . . 6.1799999999999997 110.232 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 CA-C-O 117.999 -1.445 . . . . 6.9000000000000004 109.529 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 7.6900000000000004 109.405 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' D' ' 321' ' ' LYS . 13.9 mttt 59.95 18.48 7.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 7.4500000000000002 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.7 mttt 62.77 145.93 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.254 -0.904 . . . . 6.8399999999999999 109.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.95 -82.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 121.936 1.757 . . . . 5.1200000000000001 110.154 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.9 mt -82.52 113.2 20.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 4.6600000000000001 109.41 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -100.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.16 -0.962 . . . . 2.46 109.16 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.03 153.93 52.37 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.266 -1.534 . . . . 1.0800000000000001 109.266 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 47.2 mt-10 -58.41 132.59 54.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -1.143 . . . . 1.6699999999999999 109.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 20.6 m-85 -94.9 147.05 23.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.894 . . . . 1.01 109.561 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 46.0 m-85 -140.44 140.15 35.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.956 . . . . 0.63 109.388 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.22 171.71 8.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 1.1299999999999999 109.61 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 25.2 tp -149.78 134.03 17.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.682 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 122.86 31.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.847 . . . . 1.3700000000000001 109.551 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.21 109.09 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.938 . . . . 1.1499999999999999 109.768 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.542 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -74.48 146.15 43.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 2.77 109.477 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.53 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.925 -1.27 . . . . 0.42999999999999999 109.925 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.2 ttt180 -80.63 -54.45 5.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -1.149 . . . . 3.1200000000000001 109.326 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.55 -44.81 89.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.336 -0.852 . . . . 2.2200000000000002 109.309 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.42 95.15 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.425 -0.797 . . . . 3.5 109.58 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.6 -54.3 43.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 0.5 109.446 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.47 -39.0 56.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 1.6899999999999999 110.151 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.6 -47.05 85.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.12 -0.988 . . . . 1.1399999999999999 110.177 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.31 -49.42 77.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.32000000000000001 109.378 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.15 -39.33 56.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 2.96 109.549 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.44 -42.96 97.17 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 1.75 109.737 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.66 -44.83 95.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.292 -0.88 . . . . 1.0800000000000001 109.469 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -57.94 -45.62 86.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 1.22 109.686 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.29 -37.22 84.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.73 109.701 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.04 -51.89 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 109.975 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.29 -40.86 95.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 1.1100000000000001 109.509 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.56 -37.29 78.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.473 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.411 HD22 ' HG ' ' C' ' 350' ' ' LEU . 14.4 tp -63.55 -40.55 97.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.207 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -52.53 63.14 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.495 -0.753 . . . . 2.1499999999999999 109.142 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -56.48 -29.71 62.08 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.594 -0.691 . . . . 1.4399999999999999 109.796 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.18 92.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 1.3 109.685 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.404 ' NE2' ' CD2' ' C' ' 350' ' ' LEU . 1.9 mt-30 -83.7 -13.48 53.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.078 -1.013 . . . . 1.3999999999999999 109.505 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.41 -8.14 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.159 -0.963 . . . . 1.6000000000000001 109.399 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 42.41 3.15 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.008 -1.237 . . . . 1.5 110.008 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.24 145.11 27.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.103 -1.233 . . . . 4.5499999999999998 109.453 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.81 154.4 2.44 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 5.6699999999999999 109.591 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -61.07 135.76 60.87 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.1 1.867 . . . . 6.1200000000000001 110.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.005 -1.442 . . . . 7.2699999999999996 109.573 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 mttt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.434 -0.58 . . . . 7.6600000000000001 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 321' ' ' LYS . 5.4 tttt 62.54 100.33 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.138 -0.976 . . . . 7.5099999999999998 109.357 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 26.5 mttt 59.96 92.31 0.07 OUTLIER Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 6.8099999999999996 109.32 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.57 -154.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.024 1.816 . . . . 5.1500000000000004 109.949 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.65 111.64 16.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 4.7000000000000002 109.342 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.07 -163.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.48 109.535 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.48 163.19 51.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.26 -1.536 . . . . 1.0800000000000001 109.26 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.8 140.47 47.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.176 -1.191 . . . . 1.7 109.319 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 5.2 m-85 -94.14 157.16 16.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.136 -0.977 . . . . 1.04 109.615 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.1 m-85 -140.1 -167.76 2.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.293 -0.879 . . . . 0.65000000000000002 109.604 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 15.7 p -153.06 160.11 42.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 1.1399999999999999 109.534 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.4 tp -147.91 134.27 19.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 1.0900000000000001 109.358 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.97 128.11 34.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.397 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.98 118.19 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 109.582 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 152.59 40.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 2.79 109.457 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.72 130.61 2.5 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.665 -1.374 . . . . 0.45000000000000001 109.665 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.2 ttt180 -78.67 -47.76 16.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -1.199 . . . . 3.1600000000000001 109.294 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.38 -50.37 73.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.866 . . . . 2.2200000000000002 109.407 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.59 -39.13 86.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.432 -0.793 . . . . 3.54 109.383 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' C' ' 329' ' ' THR . 60.1 t80 -55.13 -55.41 31.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.392 -0.818 . . . . 0.5 109.411 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -50.78 -38.55 48.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 1.6599999999999999 110.108 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.41 -48.85 77.91 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 110.242 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.46 -52.85 63.44 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.157 -0.965 . . . . 0.34000000000000002 109.305 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' C' ' 330' ' ' LEU . 14.6 ttp180 -50.93 -38.96 53.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 2.9399999999999999 109.739 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.71 -43.63 97.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.137 -0.977 . . . . 1.74 109.799 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.3 -41.41 98.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.124 -0.985 . . . . 1.0700000000000001 109.395 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.31 -50.31 74.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.22 109.664 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.98 -33.3 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -0.834 . . . . 1.72 110.115 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.71 64.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.111 -0.993 . . . . 1.0700000000000001 109.961 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.74 -40.61 93.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 1.0800000000000001 109.598 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.88 -36.73 77.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.9099999999999999 109.573 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.36 -42.31 96.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.221 -0.924 . . . . 1.1499999999999999 109.343 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.51 -48.65 80.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 2.1400000000000001 108.9 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.87 -30.46 63.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.721 -0.612 . . . . 1.4299999999999999 109.664 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.05 89.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.327 -0.858 . . . . 1.3 109.72 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -81.83 -7.91 59.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.4199999999999999 109.704 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.12 32.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.173 -0.954 . . . . 1.5800000000000001 109.781 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.94 2.43 83.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.758 -1.337 . . . . 1.54 109.758 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.12 106.4 17.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.024 -1.28 . . . . 4.5499999999999998 109.562 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.425 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 16.4 pt-20 -49.68 159.99 0.65 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 5.71 109.411 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 1.9 Cg_endo -68.28 -3.5 10.98 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.225 1.95 . . . . 6.0899999999999999 110.562 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.425 -1.47 . . . . 7.2400000000000002 109.425 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.422 -0.584 . . . . 7.6699999999999999 109.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 5.3 tttt 62.65 100.51 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.188 -0.945 . . . . 7.46 109.347 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 26.1 mttt 59.92 92.04 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 6.79 109.419 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -58.42 -154.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.147 1.898 . . . . 5.1500000000000004 109.905 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 6.1 mt -79.53 111.62 15.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 4.6600000000000001 109.396 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.99 -163.15 0.56 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.301 -0.874 . . . . 2.4700000000000002 109.573 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 163.2 52.23 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.22 -1.552 . . . . 1.0600000000000001 109.22 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.84 140.47 47.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.126 -1.22 . . . . 1.6100000000000001 109.343 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 5.3 m-85 -94.19 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.96999999999999997 109.519 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.1 m-85 -140.24 -167.75 2.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.59999999999999998 109.646 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 14.9 p -152.91 160.38 43.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.23 -0.919 . . . . 1.1000000000000001 109.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.6 tp -148.1 134.15 19.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 1.1000000000000001 109.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 1.0 OUTLIER -85.8 128.05 34.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 1.3600000000000001 109.437 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.97 118.21 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 1.1699999999999999 109.653 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 152.81 39.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.291 -0.88 . . . . 2.79 109.391 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.56 130.77 2.47 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.751 -1.34 . . . . 0.47999999999999998 109.751 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 35.5 ttt180 -78.87 -47.63 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -1.066 . . . . 3.2200000000000002 109.318 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.63 -50.12 75.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 2.21 109.477 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.318 -0.863 . . . . 3.5499999999999998 109.383 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.4 t80 -55.02 -55.45 30.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.313 -0.867 . . . . 0.52000000000000002 109.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -50.83 -38.62 49.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 1.6799999999999999 109.909 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.42 -48.86 77.83 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 110.093 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.47 -52.67 64.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.136 -0.977 . . . . 0.33000000000000002 109.325 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -51.03 -38.9 54.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.433 -0.792 . . . . 3.02 109.829 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -60.68 -43.67 97.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 1.75 109.86 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.31 -41.49 98.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.123 -0.986 . . . . 1.0700000000000001 109.368 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.24 -50.24 74.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.372 -0.83 . . . . 1.21 109.628 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.86 -33.49 75.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 110.071 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.78 -52.55 64.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 1.0600000000000001 109.99 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.72 -40.92 94.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.632 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.68 -36.81 77.21 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 1.9299999999999999 109.615 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.26 -42.25 96.57 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.184 -0.948 . . . . 1.1399999999999999 109.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.51 -48.8 79.41 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.888 -0.782 . . . . 2.1899999999999999 108.888 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.74 -30.59 63.72 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.604 -0.685 . . . . 1.4299999999999999 109.715 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.05 89.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 1.3100000000000001 109.721 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -82.03 -7.53 59.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 1.3999999999999999 109.641 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.26 -5.17 34.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 1.5700000000000001 109.719 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.36 83.22 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.883 -1.287 . . . . 1.53 109.883 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -87.21 106.39 17.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.084 -1.245 . . . . 4.5800000000000001 109.571 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.437 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 16.5 pt-20 -49.84 159.81 0.7 Allowed Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 5.6799999999999997 109.408 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 1.7 Cg_endo -68.14 -3.73 11.27 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.272 1.982 . . . . 6.0499999999999998 110.532 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . 0.402 ' OXT' ' O ' ' B' ' 359' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.403 0 CA-C-O 117.929 -1.484 . . . . 7.2000000000000002 109.521 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mttt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.245 0.545 . . . . 9.2200000000000006 109.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' C' ' 321' ' ' LYS . 5.3 tttt 62.3 100.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 8.5099999999999998 109.382 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 26.3 mttt 59.93 92.16 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 7.4199999999999999 109.43 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -58.66 -154.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.002 1.802 . . . . 5.0499999999999998 109.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.62 111.6 16.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.115 -0.991 . . . . 5.1399999999999997 109.397 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.02 -163.37 0.59 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.872 . . . . 2.8500000000000001 109.578 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.47 163.39 51.5 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.239 -1.545 . . . . 1.27 109.239 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.99 140.67 48.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.169 -1.195 . . . . 2.1099999999999999 109.195 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 5.5 m-85 -94.28 157.21 16.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 1.01 109.545 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.2 m-85 -140.15 -167.81 2.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.57999999999999996 109.661 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 15.3 p -153.06 159.81 42.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 109.615 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 342' ' ' ARG . 14.4 tp -147.61 134.43 20.1 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.32 -0.862 . . . . 1.1699999999999999 109.402 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.02 127.86 34.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 1.8100000000000001 109.392 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.75 118.27 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 1.1299999999999999 109.601 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 152.87 39.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.875 . . . . 2.8199999999999998 109.419 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.26 130.74 2.35 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.73 -1.348 . . . . 0.45000000000000001 109.73 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.4 ttt180 -78.87 -47.65 16.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -1.126 . . . . 3.0800000000000001 109.293 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.44 -50.28 74.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 2.54 109.355 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.63 -39.16 87.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.317 -0.864 . . . . 4.1100000000000003 109.453 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 329' ' ' THR . 60.3 t80 -55.17 -55.31 32.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.56999999999999995 109.438 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -50.96 -38.42 50.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 1.6599999999999999 110.016 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -62.43 -48.89 77.69 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.214 -0.929 . . . . 1.29 110.223 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.38 -52.69 64.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.131 -0.981 . . . . 0.40000000000000002 109.394 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.41 ' HA ' HD12 ' A' ' 330' ' ' LEU . 15.1 ttp180 -51.05 -38.92 54.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.45 -0.781 . . . . 3.8500000000000001 109.806 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.65 -43.68 97.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 1.78 109.854 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.39 -41.33 98.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.103 -0.998 . . . . 1.1699999999999999 109.367 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.29 -50.5 73.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.2 109.611 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.91 -33.13 74.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.214 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -59.7 -52.82 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 1.0700000000000001 109.989 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.77 -40.6 93.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.579 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.83 -36.97 77.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 2.0899999999999999 109.615 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 14.2 tp -64.1 -42.21 96.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 1.3799999999999999 109.355 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 5.6 ttmm -61.67 -48.65 79.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.396 -0.815 . . . . 2.6800000000000002 108.956 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.77 -30.42 63.6 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.665 -0.647 . . . . 1.3400000000000001 109.747 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.09 89.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 1.3 109.806 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -82.0 -7.6 59.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.207 -0.933 . . . . 1.8 109.651 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.15 -5.04 32.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 1.47 109.714 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.87 2.48 83.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.817 -1.313 . . . . 1.6599999999999999 109.817 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.27 106.51 17.96 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -1.216 . . . . 4.7800000000000002 109.524 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 16.0 pt-20 -49.93 159.81 0.72 Allowed Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.172 -0.955 . . . . 6.1900000000000004 109.315 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 1.9 Cg_endo -68.26 -3.6 11.14 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.264 1.976 . . . . 6.1799999999999997 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . 0.4 ' OXT' ' O ' ' C' ' 359' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.969 -1.462 . . . . 6.9000000000000004 109.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.536 -0.542 . . . . 7.6900000000000004 109.536 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' D' ' 321' ' ' LYS . 5.3 tttt 62.84 100.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.254 -0.904 . . . . 7.4500000000000002 109.406 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 25.3 mttt 59.84 91.86 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 6.8399999999999999 109.367 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -58.62 -154.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.993 1.795 . . . . 5.1200000000000001 109.923 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.69 111.64 16.18 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 4.6600000000000001 109.352 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.23 -163.13 0.57 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 2.46 109.496 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 163.19 51.81 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.268 -1.533 . . . . 1.0800000000000001 109.268 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.91 140.44 48.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.145 -1.209 . . . . 1.6699999999999999 109.141 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 5.2 m-85 -94.18 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 1.01 109.447 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.3 m-85 -140.23 -167.68 2.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.925 . . . . 0.63 109.594 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 15.2 p -152.82 160.5 43.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.959 . . . . 1.1299999999999999 109.541 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.4 tp -148.37 134.03 18.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.404 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -85.74 128.15 34.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 1.3700000000000001 109.419 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -123.96 118.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 109.578 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 152.45 40.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 2.77 109.399 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 130.65 2.56 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.694 -1.362 . . . . 0.42999999999999999 109.694 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.459 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 35.7 ttt180 -78.78 -47.51 16.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -1.199 . . . . 3.1200000000000001 109.305 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.74 -50.27 74.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.163 -0.96 . . . . 2.2200000000000002 109.369 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.61 -39.04 86.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.348 -0.845 . . . . 3.5 109.393 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 60.6 t80 -55.1 -55.32 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.5 109.536 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -50.86 -38.62 50.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.487 -0.758 . . . . 1.6899999999999999 110.021 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.51 -48.61 78.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.28 -0.888 . . . . 1.1399999999999999 110.255 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.57 -52.74 63.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.02 . . . . 0.32000000000000001 109.34 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.462 -0.774 . . . . 2.96 109.836 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -60.74 -43.55 97.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.935 . . . . 1.75 109.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.37 -41.64 98.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 1.0800000000000001 109.333 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -58.16 -50.3 73.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -0.847 . . . . 1.22 109.638 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.434 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.2 mm-40 -62.96 -33.5 75.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 1.73 110.152 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' C' ' 347' ' ' ALA . . . -59.65 -52.53 65.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 110.038 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.77 -40.95 94.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.269 -0.895 . . . . 1.1100000000000001 109.592 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.65 -36.77 77.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 109.562 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 14.0 tp -64.31 -42.24 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.202 -0.936 . . . . 1.1699999999999999 109.429 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.56 -48.68 79.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.379 -0.826 . . . . 2.1499999999999999 108.957 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -56.73 -30.52 63.61 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.602 -0.686 . . . . 1.4399999999999999 109.695 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.16 90.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.302 -0.874 . . . . 1.3 109.725 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -81.97 -7.72 59.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 1.3999999999999999 109.585 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.13 -5.06 32.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.886 . . . . 1.6000000000000001 109.701 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.07 2.41 84.15 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.767 -1.333 . . . . 1.5 109.767 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.17 106.57 17.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.104 -1.233 . . . . 4.5499999999999998 109.422 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 16.2 pt-20 -49.84 160.01 0.68 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 5.6699999999999999 109.38 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -68.19 -3.49 10.87 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.177 1.918 . . . . 6.1200000000000001 110.645 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 CA-C-O 118.024 -1.431 . . . . 7.2699999999999996 109.528 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.502 -0.555 . . . . 7.6600000000000001 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 22.8 mtmt 59.74 108.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.392 -0.817 . . . . 7.5099999999999998 109.794 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.435 ' HG3' ' HD2' ' A' ' 322' ' ' PRO . 4.4 tptm 64.06 126.94 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.274 -0.891 . . . . 6.8099999999999996 109.819 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 321' ' ' LYS . 6.3 Cg_exo -58.97 -146.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.125 1.884 . . . . 5.1500000000000004 110.015 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.44 135.27 39.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.128 -0.983 . . . . 4.7000000000000002 109.268 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.481 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 m-20 -79.64 112.83 17.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.303 -0.873 . . . . 2.48 109.855 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.2 -176.48 13.8 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.362 -1.495 . . . . 1.0800000000000001 109.362 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 122.96 17.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -1.189 . . . . 1.7 109.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 33.9 m-85 -98.93 159.36 15.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.114 -0.991 . . . . 1.04 109.514 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -139.43 -169.71 2.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.839 . . . . 0.65000000000000002 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 20.8 p -153.09 158.64 42.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 109.54 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.67 132.96 16.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.874 . . . . 1.0900000000000001 109.475 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.73 33.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 1.3700000000000001 109.257 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.61 117.06 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -0.95 . . . . 1.1499999999999999 109.412 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.36 149.89 42.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 2.79 109.523 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.31 0.94 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.624 -1.39 . . . . 0.45000000000000001 109.624 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -68.75 -47.14 67.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -1.126 . . . . 3.1600000000000001 109.55 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.06 -48.19 80.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.625 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.53 -38.25 83.83 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.325 -0.86 . . . . 3.54 109.567 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -54.97 -54.41 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.5 109.776 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.51 50.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 110.026 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -62.98 -48.08 80.37 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.13 -0.981 . . . . 1.1499999999999999 110.197 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -60.86 -51.98 67.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.34000000000000002 109.321 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.13 -38.62 53.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.346 -0.846 . . . . 2.9399999999999999 109.737 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.22 97.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.105 -0.997 . . . . 1.74 109.959 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.02 -44.06 97.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.486 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -47.55 82.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.314 -0.866 . . . . 1.22 109.674 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.61 -34.17 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 1.72 109.818 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.86 -55.9 28.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 1.0700000000000001 109.807 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.15 -35.86 78.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 1.0800000000000001 109.314 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.88 -39.13 84.27 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.338 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 12.7 tp -63.83 -39.04 93.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 109.376 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.67 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.355 -0.841 . . . . 2.1400000000000001 108.943 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.29 -30.66 60.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.76 -0.588 . . . . 1.4299999999999999 109.576 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.59 -49.12 69.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 1.3 109.381 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.498 ' NE2' ' CD2' ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.47 -4.43 55.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.913 . . . . 1.4199999999999999 109.444 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.78 -4.91 30.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 1.5800000000000001 109.813 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.33 -6.06 89.04 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.736 -1.346 . . . . 1.54 109.736 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.66 107.27 18.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.301 -1.117 . . . . 4.5499999999999998 109.391 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.49 130.66 26.28 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 5.71 109.623 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.59 142.44 94.67 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.068 1.845 . . . . 6.0899999999999999 110.178 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.861 -1.522 . . . . 7.2400000000000002 109.607 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.487 -0.561 . . . . 7.6699999999999999 109.487 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 22.7 mtmt 59.82 108.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.857 . . . . 7.46 109.765 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.432 ' HG3' ' HD2' ' B' ' 322' ' ' PRO . 4.4 tptm 64.01 126.89 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 6.79 109.874 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.432 ' HD2' ' HG3' ' B' ' 321' ' ' LYS . 6.3 Cg_exo -58.98 -146.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.187 0 C-N-CA 122.103 1.868 . . . . 5.1500000000000004 109.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.42 135.3 39.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 4.6600000000000001 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.471 ' HB3' ' CE1' ' B' ' 327' ' ' TYR . 2.1 m-20 -79.71 112.73 17.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 2.4700000000000002 109.911 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.07 -176.54 13.27 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.386 -1.486 . . . . 1.0600000000000001 109.386 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.81 123.01 17.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -1.15 . . . . 1.6100000000000001 109.933 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 33.8 m-85 -99.01 159.42 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.162 -0.961 . . . . 0.96999999999999997 109.478 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 70.0 m-85 -139.43 -169.72 2.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.348 -0.845 . . . . 0.59999999999999998 109.38 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.6 p -153.09 158.69 42.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.976 . . . . 1.1000000000000001 109.502 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.71 133.0 16.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.893 . . . . 1.1000000000000001 109.497 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.92 134.78 33.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.256 -0.903 . . . . 1.3600000000000001 109.262 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.0 mt -123.78 116.98 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.107 -0.995 . . . . 1.1699999999999999 109.385 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -73.29 149.92 42.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.899 . . . . 2.79 109.535 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.09 122.22 0.94 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.627 -1.389 . . . . 0.47999999999999998 109.627 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -68.7 -47.08 67.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -1.132 . . . . 3.2200000000000002 109.62 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -58.02 -48.35 80.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.958 . . . . 2.21 109.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.43 -38.28 83.6 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.334 -0.854 . . . . 3.5499999999999998 109.526 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' D' ' 329' ' ' THR . 65.6 t80 -54.95 -54.49 42.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.435 -0.791 . . . . 0.52000000000000002 109.724 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.46 49.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 1.6799999999999999 110.077 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.01 -48.06 80.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.097 -1.002 . . . . 1.1499999999999999 110.248 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -60.94 -51.89 67.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.33000000000000002 109.359 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -51.03 -38.79 53.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.33 -0.856 . . . . 3.02 109.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.99 -44.23 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.198 -0.939 . . . . 1.75 109.96 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.15 -43.77 98.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -0.853 . . . . 1.0700000000000001 109.574 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.11 -47.43 83.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 1.21 109.693 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.65 -34.16 76.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 1.6899999999999999 109.792 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.9 -55.82 29.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 1.0600000000000001 109.821 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.21 -35.85 78.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.37 -0.831 . . . . 1.0800000000000001 109.341 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.327 -0.858 . . . . 1.9299999999999999 109.383 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.498 ' CD2' ' NE2' ' A' ' 354' ' ' GLN . 12.7 tp -63.96 -39.0 93.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.1399999999999999 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.05 -49.64 75.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 2.1899999999999999 108.966 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.28 -30.59 60.42 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.64 -0.663 . . . . 1.4299999999999999 109.663 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.73 -49.15 69.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 1.3100000000000001 109.397 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -4.43 55.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.268 -0.895 . . . . 1.3999999999999999 109.597 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.75 -4.89 30.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.916 . . . . 1.5700000000000001 109.815 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.32 -6.09 89.03 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.736 -1.346 . . . . 1.53 109.736 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 107.16 18.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.223 -1.163 . . . . 4.5800000000000001 109.375 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.41 130.73 25.75 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.326 -0.859 . . . . 5.6799999999999997 109.542 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.71 142.44 94.11 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.978 1.786 . . . . 6.0499999999999998 110.28 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 117.963 -1.465 . . . . 7.2000000000000002 109.634 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.331 0.586 . . . . 9.2200000000000006 109.485 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 22.7 mtmt 59.83 108.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.262 -0.899 . . . . 8.5099999999999998 109.664 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.435 ' HG3' ' HD2' ' C' ' 322' ' ' PRO . 4.4 tptm 64.06 126.85 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 7.4199999999999999 109.883 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' C' ' 321' ' ' LYS . 6.2 Cg_exo -58.92 -146.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.121 1.881 . . . . 5.0499999999999998 110.055 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 82.8 mt -76.4 135.35 39.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.981 -1.074 . . . . 5.1399999999999997 109.228 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.469 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 2.1 m-20 -79.74 112.72 17.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 2.8500000000000001 109.841 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.555 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.09 -176.68 13.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.37 -1.492 . . . . 1.27 109.37 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.56 122.97 17.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.207 -1.173 . . . . 2.1099999999999999 109.988 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 33.8 m-85 -99.04 159.41 14.99 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.078 -1.014 . . . . 1.01 109.401 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -139.45 -169.68 2.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.57999999999999996 109.38 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 20.7 p -153.12 158.58 42.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 1.1599999999999999 109.603 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.61 133.07 16.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.337 -0.852 . . . . 1.1699999999999999 109.397 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 134.73 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.8100000000000001 109.359 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.5 mt -123.71 116.91 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.178 -0.951 . . . . 1.1299999999999999 109.473 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.12 149.88 42.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 2.8199999999999998 109.506 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.15 122.09 0.94 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.638 -1.385 . . . . 0.45000000000000001 109.638 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -68.53 -47.17 67.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -1.137 . . . . 3.0800000000000001 109.665 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.96 -48.28 80.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 2.54 109.608 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.52 -38.23 83.74 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.349 -0.844 . . . . 4.1100000000000003 109.469 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -55.05 -54.4 43.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.436 -0.79 . . . . 0.56999999999999995 109.681 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.54 -37.52 49.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.371 -0.831 . . . . 1.6599999999999999 110.044 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.02 -47.98 80.73 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.158 -0.964 . . . . 1.29 110.228 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -60.95 -51.9 67.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.40000000000000002 109.382 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.1 -38.67 53.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 3.8500000000000001 109.734 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.02 -44.25 97.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.966 . . . . 1.78 109.929 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.154 -0.966 . . . . 1.1699999999999999 109.5 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -57.98 -47.41 83.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 1.2 109.797 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.67 -34.2 76.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 2.1200000000000001 109.718 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.78 29.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.781 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.21 -35.98 78.65 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.24 -0.912 . . . . 1.1399999999999999 109.214 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.79 -39.18 84.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 2.0899999999999999 109.373 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.7 -39.24 93.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -0.86 . . . . 1.3799999999999999 109.33 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.65 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.875 . . . . 2.6800000000000002 109.073 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.15 -30.7 60.37 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.63 -0.669 . . . . 1.3400000000000001 109.706 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -49.0 70.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.222 -0.924 . . . . 1.3 109.429 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -4.45 55.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.862 . . . . 1.8 109.536 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.82 -4.87 30.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 1.47 109.82 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.35 -5.95 89.13 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.761 -1.336 . . . . 1.6599999999999999 109.761 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 107.26 18.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -1.179 . . . . 4.7800000000000002 109.269 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.5 130.79 26.42 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.211 -0.931 . . . . 6.1900000000000004 109.548 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.75 142.42 93.87 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.135 1.89 . . . . 6.1799999999999997 110.256 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.934 -1.481 . . . . 6.9000000000000004 109.686 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.4 -0.592 . . . . 7.6900000000000004 109.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 22.8 mtmt 59.89 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.26 -0.9 . . . . 7.4500000000000002 109.601 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.437 ' HG3' ' HD2' ' D' ' 322' ' ' PRO . 4.4 tptm 64.18 126.86 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.897 . . . . 6.8399999999999999 109.789 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.437 ' HD2' ' HG3' ' D' ' 321' ' ' LYS . 6.3 Cg_exo -58.96 -146.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.144 1.896 . . . . 5.1200000000000001 110.051 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -76.4 135.32 39.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 4.6600000000000001 109.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.477 ' HB3' ' CE1' ' D' ' 327' ' ' TYR . 2.1 m-20 -79.75 112.68 17.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.368 -0.832 . . . . 2.46 109.906 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.13 -176.56 13.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.327 -1.509 . . . . 1.0800000000000001 109.327 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.73 122.83 17.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -1.174 . . . . 1.6699999999999999 109.971 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 34.0 m-85 -98.86 159.39 14.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.051 -1.031 . . . . 1.01 109.554 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.1 m-85 -139.4 -169.74 2.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.63 109.409 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.1 158.53 42.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.115 -0.991 . . . . 1.1299999999999999 109.604 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.64 132.99 16.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 109.458 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.78 33.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 109.303 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.77 117.03 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.131 -0.98 . . . . 1.1499999999999999 109.395 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -73.27 149.84 42.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 2.77 109.527 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.17 121.99 0.93 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.691 -1.364 . . . . 0.42999999999999999 109.691 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -68.47 -47.08 68.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 3.1200000000000001 109.764 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.04 -48.13 81.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.923 . . . . 2.2200000000000002 109.731 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.6 -38.24 84.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.213 -0.93 . . . . 3.5 109.491 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' B' ' 329' ' ' THR . 65.7 t80 -55.0 -54.38 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.5 109.797 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.54 -37.45 49.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 1.6899999999999999 110.081 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -63.15 -48.03 80.17 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.152 -0.968 . . . . 1.1399999999999999 110.126 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -60.9 -51.96 67.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.32000000000000001 109.383 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.01 -38.79 53.48 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.407 -0.808 . . . . 2.96 109.685 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.18 97.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.174 -0.954 . . . . 1.75 109.939 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.13 -43.9 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 1.0800000000000001 109.556 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.09 -47.4 83.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.171 -0.956 . . . . 1.22 109.679 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.78 -34.08 76.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.73 109.661 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.95 27.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 1.0700000000000001 109.801 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.97 -35.95 78.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.43 -0.794 . . . . 1.1100000000000001 109.454 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.83 -39.23 84.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.9099999999999999 109.333 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.79 -39.08 93.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 109.364 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -49.64 75.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 2.1499999999999999 108.986 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.27 -30.74 60.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.712 -0.617 . . . . 1.4399999999999999 109.619 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.13 70.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 1.3 109.46 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -4.45 55.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.3999999999999999 109.539 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.82 -4.71 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.372 -0.83 . . . . 1.6000000000000001 109.92 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.44 -6.03 89.01 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.663 -1.375 . . . . 1.5 109.663 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 107.34 18.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -1.178 . . . . 4.5499999999999998 109.311 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.57 130.71 26.91 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.987 . . . . 5.6699999999999999 109.582 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.59 142.43 94.66 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.067 1.844 . . . . 6.1200000000000001 110.248 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.99 -1.45 . . . . 7.2699999999999996 109.636 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.539 -0.541 . . . . 7.6600000000000001 109.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 56.08 92.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 7.5099999999999998 109.376 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 51.1 mttt 55.72 67.37 3.02 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.208 -0.932 . . . . 6.8099999999999996 109.046 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -66.68 -3.21 8.85 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.255 1.97 . . . . 5.1500000000000004 111.081 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.54 96.4 8.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.892 -1.13 . . . . 4.7000000000000002 109.448 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.461 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 3.5 m-20 -83.01 -162.58 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 2.48 109.479 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 -179.96 20.86 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.455 -1.458 . . . . 1.0800000000000001 109.455 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.19 136.27 57.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -1.081 . . . . 1.7 109.581 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.05 161.58 14.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.303 -0.873 . . . . 1.04 109.545 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.5 m-85 -138.84 -171.56 3.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.65000000000000002 109.387 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.474 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.4 p -154.96 152.62 29.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 1.1399999999999999 109.616 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.26 129.77 15.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 1.0900000000000001 109.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 13.7 tt0 -86.44 134.9 33.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 1.3700000000000001 109.527 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 341' ' ' PHE . 28.0 mt -123.71 115.23 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 109.413 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.462 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.0 OUTLIER -73.7 141.74 46.39 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 2.79 109.669 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.85 -1.3 . . . . 0.45000000000000001 109.85 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.2 OUTLIER -70.78 -50.6 34.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 3.1600000000000001 109.355 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.76 -44.52 90.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.257 -0.902 . . . . 2.2200000000000002 109.611 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' CG ' ' NH1' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -44.95 86.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.174 -0.954 . . . . 3.54 109.928 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 25.7 t80 -55.26 -58.8 6.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.5 109.712 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -50.91 -34.92 30.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.169 -0.957 . . . . 1.6599999999999999 110.016 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.73 -52.38 57.36 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.189 -0.944 . . . . 1.1499999999999999 110.517 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.417 ' CB ' HD12 ' A' ' 332' ' ' ILE . 21.9 m-85 -60.91 -54.38 45.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.148 -0.97 . . . . 0.34000000000000002 109.363 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.27 -36.75 32.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.414 -0.804 . . . . 2.9399999999999999 109.435 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.218 -0.926 . . . . 1.74 109.641 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.33 -46.27 89.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -0.845 . . . . 1.0700000000000001 109.608 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.39 -43.72 88.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 1.22 109.923 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -39.21 93.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.882 . . . . 1.72 109.978 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -53.52 56.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 1.0700000000000001 110.037 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.29 -39.55 90.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.0800000000000001 109.774 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.0 -37.56 82.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.9099999999999999 109.823 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.53 -43.4 94.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 109.81 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 35.2 ttmt -63.53 -44.91 92.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.878 . . . . 2.1400000000000001 108.9 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.84 -36.24 72.01 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.646 -0.658 . . . . 1.4299999999999999 109.619 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.04 72.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.461 -0.775 . . . . 1.3 109.865 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.85 -8.96 59.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.4199999999999999 109.626 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.7 -5.49 38.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.496 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.37 18.9 26.3 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.044 -1.222 . . . . 1.54 110.044 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.12 115.19 23.54 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.063 -1.257 . . . . 4.5499999999999998 109.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 153.0 3.27 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 5.71 109.558 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.87 150.92 80.98 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.254 1.969 . . . . 6.0899999999999999 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.511 -1.436 . . . . 7.2400000000000002 109.511 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.551 -0.537 . . . . 7.6699999999999999 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 55.97 92.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.303 -0.873 . . . . 7.46 109.463 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 51.0 mttt 55.84 67.22 3.05 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.209 -0.932 . . . . 6.79 109.114 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -66.66 -3.19 8.8 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.29 1.993 . . . . 5.1500000000000004 111.015 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.47 96.37 7.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.886 -1.134 . . . . 4.6600000000000001 109.474 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' D' ' 333' ' ' ARG . 3.5 m-20 -83.03 -162.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 2.4700000000000002 109.407 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -179.77 20.12 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.429 -1.469 . . . . 1.0600000000000001 109.429 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.37 136.41 57.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.129 -1.218 . . . . 1.6100000000000001 109.48 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -93.22 161.56 14.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 0.96999999999999997 109.461 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.5 m-85 -138.81 -171.59 3.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.59999999999999998 109.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.2 p -154.99 152.67 29.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 1.1000000000000001 109.669 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.76 15.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.389 -0.819 . . . . 1.1000000000000001 109.335 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 13.8 tt0 -86.35 134.94 33.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 109.538 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.413 HD12 ' CB ' ' B' ' 341' ' ' PHE . 27.7 mt -123.73 115.2 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 1.1699999999999999 109.449 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.438 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.64 141.7 46.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 2.79 109.588 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.61 133.75 8.0 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.853 -1.299 . . . . 0.47999999999999998 109.853 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.2 OUTLIER -70.84 -50.66 32.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.32 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.355 -0.841 . . . . 2.21 109.606 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.451 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -45.01 85.7 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 3.5499999999999998 109.925 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 25.9 t80 -55.21 -58.76 6.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.236 -0.915 . . . . 0.52000000000000002 109.744 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -50.98 -34.97 31.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.6799999999999999 109.995 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.63 -52.45 57.31 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.084 -1.01 . . . . 1.1499999999999999 110.496 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CB ' HD12 ' B' ' 332' ' ' ILE . 21.9 m-85 -60.87 -54.46 44.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.108 -0.995 . . . . 0.33000000000000002 109.331 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -50.15 -36.72 31.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.306 -0.871 . . . . 3.02 109.526 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.31 -43.98 97.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 1.75 109.761 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.3 -46.2 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.328 -0.858 . . . . 1.0700000000000001 109.691 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.45 -43.76 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 1.21 109.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -63.54 -39.2 93.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.833 . . . . 1.6899999999999999 109.943 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -53.41 58.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 110.068 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.42 -39.45 90.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.709 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.05 -37.52 82.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.899 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 28.0 tp -64.55 -43.3 94.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 1.1399999999999999 109.857 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -63.51 -45.1 92.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.272 -0.892 . . . . 2.1899999999999999 108.903 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.672 -0.643 . . . . 1.4299999999999999 109.609 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -32.09 72.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.373 -0.829 . . . . 1.3100000000000001 109.824 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.68 -9.1 59.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 1.3999999999999999 109.646 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.8 -5.23 36.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.179 -0.95 . . . . 1.5700000000000001 109.556 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.52 18.85 27.19 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.966 -1.253 . . . . 1.53 109.966 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.07 115.13 23.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -1.187 . . . . 4.5800000000000001 109.406 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.82 152.89 3.25 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 5.6799999999999997 109.633 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.79 150.96 80.25 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.211 1.941 . . . . 6.0499999999999998 110.333 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.506 -1.438 . . . . 7.2000000000000002 109.506 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.468 -0.567 . . . . 9.2200000000000006 109.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 56.11 92.76 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 8.5099999999999998 109.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.431 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 51.1 mttt 55.74 67.32 3.03 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.149 -0.969 . . . . 7.4199999999999999 109.078 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -66.56 -3.32 8.89 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.323 2.015 . . . . 5.0499999999999998 111.023 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.56 96.38 8.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.929 -1.107 . . . . 5.1399999999999997 109.462 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.462 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 3.5 m-20 -82.91 -162.49 0.6 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.469 -0.769 . . . . 2.8500000000000001 109.509 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 -179.86 20.43 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.489 -1.444 . . . . 1.27 109.489 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.15 136.32 57.91 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.264 -1.139 . . . . 2.1099999999999999 109.554 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -93.17 161.68 14.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.879 . . . . 1.01 109.497 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.5 m-85 -138.94 -171.61 3.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.57999999999999996 109.301 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 9.2 p -155.03 152.64 29.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.087 -1.008 . . . . 1.1599999999999999 109.735 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.3 129.7 15.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 1.1699999999999999 109.448 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 13.9 tt0 -86.36 134.89 33.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.318 -0.864 . . . . 1.8100000000000001 109.617 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' C' ' 341' ' ' PHE . 27.8 mt -123.7 115.37 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -0.925 . . . . 1.1299999999999999 109.352 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.461 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.92 141.68 45.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 2.8199999999999998 109.588 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.64 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.848 -1.301 . . . . 0.45000000000000001 109.848 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.2 OUTLIER -70.79 -50.64 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.395 -1.062 . . . . 3.0800000000000001 109.36 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.49 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 2.54 109.651 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.44 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -44.9 86.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.179 -0.951 . . . . 4.1100000000000003 109.936 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 329' ' ' THR . 25.6 t80 -55.25 -58.74 6.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.56999999999999995 109.756 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -50.95 -34.95 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.6599999999999999 110.03 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.72 -52.34 57.59 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.218 -0.926 . . . . 1.29 110.502 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.05 -54.27 46.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.40000000000000002 109.39 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.24 -36.75 32.46 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.314 -0.867 . . . . 3.8500000000000001 109.438 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.28 -44.01 97.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 1.78 109.7 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.35 -46.2 89.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 1.1699999999999999 109.584 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.41 -43.85 88.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.315 -0.866 . . . . 1.2 109.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.43 -39.26 94.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.352 -0.842 . . . . 2.1200000000000001 110.033 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -53.43 58.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 110.096 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.39 -39.52 90.99 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.333 -0.854 . . . . 1.1399999999999999 109.782 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.07 -37.47 82.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 2.0899999999999999 109.883 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 28.0 tp -64.5 -43.36 94.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 1.3799999999999999 109.881 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.46 -44.97 92.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.386 -0.821 . . . . 2.6800000000000002 109.021 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.75 -36.31 71.9 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.616 -0.677 . . . . 1.3400000000000001 109.696 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.13 72.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.851 . . . . 1.3 109.908 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -82.66 -8.92 59.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.12 -0.988 . . . . 1.8 109.633 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.89 -5.3 37.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 1.47 109.474 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 18.91 26.63 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 110.046 -1.221 . . . . 1.6599999999999999 110.046 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -86.16 115.09 23.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.069 -1.254 . . . . 4.7800000000000002 109.373 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 152.9 3.22 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.209 -0.932 . . . . 6.1900000000000004 109.666 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.73 150.93 80.06 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.248 1.966 . . . . 6.1799999999999997 110.294 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 117.954 -1.47 . . . . 6.9000000000000004 109.511 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.402 ' C ' ' HG3' ' D' ' 320' ' ' LYS . 13.2 mmtm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.515 -0.55 . . . . 7.6900000000000004 109.515 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' D' ' 319' ' ' LYS . 8.2 mtpt 56.23 92.62 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.301 -0.875 . . . . 7.4500000000000002 109.398 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 50.9 mttt 55.75 67.29 3.05 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.0 . . . . 6.8399999999999999 109.13 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -66.58 -3.19 8.7 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.289 1.993 . . . . 5.1200000000000001 111.043 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.61 96.41 8.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.929 -1.107 . . . . 4.6600000000000001 109.492 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.438 ' HB3' ' HD2' ' B' ' 333' ' ' ARG . 3.5 m-20 -82.91 -162.55 0.61 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.421 -0.8 . . . . 2.46 109.467 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 -179.82 20.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.458 -1.457 . . . . 1.0800000000000001 109.458 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.27 136.25 57.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.222 -1.163 . . . . 1.6699999999999999 109.562 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -93.16 161.67 14.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 1.01 109.462 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.86 -171.6 3.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.63 109.426 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.1 p -155.0 152.66 29.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.94 . . . . 1.1299999999999999 109.625 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.79 15.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 1.1000000000000001 109.398 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 13.8 tt0 -86.36 135.1 33.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.3700000000000001 109.497 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' D' ' 341' ' ' PHE . 27.9 mt -123.9 115.34 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 109.325 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.416 ' HD2' ' HB3' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.81 141.71 46.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.279 -0.888 . . . . 2.77 109.615 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.58 133.76 8.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.837 -1.305 . . . . 0.42999999999999999 109.837 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -70.67 -50.73 33.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.364 -1.08 . . . . 3.1200000000000001 109.381 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.51 90.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.2200000000000002 109.584 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.7 -44.89 86.2 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.157 -0.965 . . . . 3.5 109.933 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' B' ' 329' ' ' THR . 26.0 t80 -55.32 -58.75 6.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.5 109.665 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -50.89 -35.06 30.91 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 1.6899999999999999 109.961 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.61 -52.37 57.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 1.1399999999999999 110.543 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' D' ' 332' ' ' ILE . 21.9 m-85 -61.01 -54.38 45.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.145 -0.972 . . . . 0.32000000000000001 109.325 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.3 -36.75 33.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.393 -0.817 . . . . 2.96 109.438 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.23 -44.08 97.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.212 -0.93 . . . . 1.75 109.706 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.28 -46.13 90.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.712 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.5 -43.75 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 1.22 109.91 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -39.16 93.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.333 -0.854 . . . . 1.73 110.071 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.48 57.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.087 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.36 -39.65 91.38 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.223 -0.923 . . . . 1.1100000000000001 109.728 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.85 -37.58 82.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.232 -0.918 . . . . 1.9099999999999999 109.937 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.54 -43.31 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 1.1699999999999999 109.816 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.2 ttmt -63.6 -45.06 92.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.294 -0.879 . . . . 2.1499999999999999 108.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.57 -36.36 71.59 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.371 0.605 . . . . 1.4399999999999999 109.655 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.09 72.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 1.3 109.876 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -82.71 -8.95 59.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.127 -0.983 . . . . 1.3999999999999999 109.653 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.82 -5.38 37.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.165 -0.959 . . . . 1.6000000000000001 109.449 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.4 18.84 26.76 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.059 -1.217 . . . . 1.5 110.059 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -86.11 115.2 23.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.08 -1.247 . . . . 4.5499999999999998 109.356 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 152.91 3.27 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 5.6699999999999999 109.624 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.78 150.83 80.86 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.208 1.939 . . . . 6.1200000000000001 110.297 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.013 -1.437 . . . . 7.2699999999999996 109.53 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.518 -0.549 . . . . 7.6600000000000001 109.518 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 319' ' ' LYS . 2.5 ttmt 61.45 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 7.5099999999999998 109.538 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 9.6 mtpp 59.8 89.56 0.1 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.268 -0.895 . . . . 6.8099999999999996 109.497 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.71 -154.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.297 1.998 . . . . 5.1500000000000004 110.258 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.69 111.69 17.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.975 . . . . 4.7000000000000002 109.409 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.82 -91.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.933 . . . . 2.48 109.597 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 148.57 47.66 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.786 -1.325 . . . . 1.0800000000000001 109.786 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.4 136.25 57.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -1.089 . . . . 1.7 109.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -94.3 157.9 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 1.04 109.541 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.96 -171.78 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.182 -0.949 . . . . 0.65000000000000002 109.435 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.518 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.5 p -153.37 161.02 42.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -0.931 . . . . 1.1399999999999999 109.512 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.7 tp -148.22 131.91 16.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 1.0900000000000001 109.489 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.87 132.39 34.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.893 . . . . 1.3700000000000001 109.583 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 341' ' ' PHE . 36.1 mt -123.8 121.76 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.9 . . . . 1.1499999999999999 109.248 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.16 151.47 41.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.163 -0.961 . . . . 2.79 109.537 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.88 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.76 -1.336 . . . . 0.45000000000000001 109.76 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.7 ttt180 -81.07 -48.54 12.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -1.14 . . . . 3.1600000000000001 109.416 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.71 -46.66 84.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 109.203 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.539 ' NH1' HD12 ' C' ' 348' ' ' LEU . 7.3 tpp180 -62.45 -42.27 99.35 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.233 -0.917 . . . . 3.54 109.322 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 57.1 t80 -54.09 -49.44 69.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.367 -0.833 . . . . 0.5 109.508 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.07 -37.07 52.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 1.6599999999999999 109.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.42 ' HE1' ' HB3' ' A' ' 340' ' ' MET . 14.4 ttp -62.5 -46.69 87.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.242 -0.912 . . . . 1.1499999999999999 109.965 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.437 ' CD2' HG22 ' A' ' 332' ' ' ILE . 24.0 m-85 -61.34 -54.35 44.92 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.223 -0.923 . . . . 0.34000000000000002 109.232 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.5 -34.96 27.12 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.463 -0.773 . . . . 2.9399999999999999 109.415 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 340' ' ' MET . 11.3 tt0 -59.89 -49.86 76.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 1.74 109.578 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.0 -34.6 75.07 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 108.813 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -58.88 -53.88 53.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.433 -0.792 . . . . 1.22 109.662 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.54 -36.4 80.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 1.72 110.046 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.56 -53.18 61.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.285 -0.885 . . . . 1.0700000000000001 110.035 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.495 HD12 ' NH1' ' C' ' 337' ' ' ARG . 46.8 mt -61.08 -41.26 96.33 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.359 -0.838 . . . . 1.0800000000000001 109.533 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.64 -35.26 77.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.166 -0.959 . . . . 1.9099999999999999 109.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.06 -52.61 58.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.1499999999999999 109.547 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . 27.1 ttmt -60.84 -43.33 98.45 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.484 -0.76 . . . . 2.1400000000000001 109.421 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.5 -36.24 73.49 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.661 -0.649 . . . . 1.4299999999999999 110.063 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.48 73.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 1.3 109.596 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -83.45 -10.82 58.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.924 . . . . 1.4199999999999999 109.55 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.8 61.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 1.5800000000000001 109.561 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 9.37 67.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.753 -1.339 . . . . 1.54 109.753 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.19 104.98 16.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.249 . . . . 4.5499999999999998 109.802 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 358' ' ' GLU . 3.3 pt-20 -49.01 113.24 2.93 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.327 -0.858 . . . . 5.71 109.255 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.65 116.89 3.57 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.999 1.799 . . . . 6.0899999999999999 110.408 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 CA-C-O 117.962 -1.466 . . . . 7.2400000000000002 109.507 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 320' ' ' LYS . 14.6 mtmt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.313 0.578 . . . . 7.6699999999999999 109.544 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 2.5 ttmt 61.43 148.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 7.46 109.487 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 9.7 mtpp 59.87 89.46 0.11 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.195 -0.941 . . . . 6.79 109.395 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.75 -154.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.244 1.963 . . . . 5.1500000000000004 110.222 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.63 111.59 17.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 4.6600000000000001 109.473 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.76 -91.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 2.4700000000000002 109.541 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.17 148.62 47.85 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.814 -1.314 . . . . 1.0600000000000001 109.814 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.44 136.2 57.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -1.053 . . . . 1.6100000000000001 109.532 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.22 157.93 15.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.96999999999999997 109.538 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.98 -171.76 3.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.206 -0.934 . . . . 0.59999999999999998 109.503 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 4.6 p -153.28 161.25 42.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 1.1000000000000001 109.58 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.7 tp -148.52 131.69 16.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.908 . . . . 1.1000000000000001 109.487 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.9 tt0 -85.61 132.45 34.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 1.3600000000000001 109.63 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' B' ' 341' ' ' PHE . 36.0 mt -123.83 121.67 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 1.1699999999999999 109.337 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.14 151.42 41.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 2.79 109.544 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.8 1.9 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.773 -1.331 . . . . 0.47999999999999998 109.773 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.8 ttt180 -80.9 -48.69 12.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.24 -1.153 . . . . 3.2200000000000002 109.36 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.326 -0.859 . . . . 2.21 109.197 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.491 ' NH1' HD12 ' D' ' 348' ' ' LEU . 7.3 tpp180 -62.51 -42.13 99.3 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.341 -0.849 . . . . 3.5499999999999998 109.351 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.21 -49.37 69.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.402 -0.811 . . . . 0.52000000000000002 109.416 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.03 -37.07 52.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 1.6799999999999999 109.82 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.414 ' HE1' ' HB3' ' B' ' 340' ' ' MET . 14.4 ttp -62.53 -46.72 87.12 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.964 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.2 m-85 -61.43 -54.32 45.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.233 -0.917 . . . . 0.33000000000000002 109.226 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.41 -35.02 26.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 3.02 109.489 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.84 -49.85 76.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 1.75 109.54 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.14 -34.67 75.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 108.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.74 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 1.21 109.641 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.57 -36.48 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.349 -0.845 . . . . 1.6899999999999999 109.94 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.1 61.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.237 -0.915 . . . . 1.0600000000000001 109.991 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.526 HD12 ' NH1' ' D' ' 337' ' ' ARG . 45.6 mt -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.372 -0.83 . . . . 1.0800000000000001 109.594 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.84 -35.31 77.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.194 -0.941 . . . . 1.9299999999999999 109.822 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.07 -52.56 58.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.191 -0.943 . . . . 1.1399999999999999 109.602 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.83 -43.32 98.42 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.406 -0.809 . . . . 2.1899999999999999 109.459 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.6 -36.11 73.5 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.662 -0.649 . . . . 1.4299999999999999 110.02 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.56 74.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 1.3100000000000001 109.503 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -83.36 -10.88 58.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 1.3999999999999999 109.475 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.77 61.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.162 -0.961 . . . . 1.5700000000000001 109.615 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 9.41 67.37 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.77 -1.332 . . . . 1.53 109.77 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.22 104.98 16.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.145 -1.209 . . . . 4.5800000000000001 109.775 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 358' ' ' GLU . 3.3 pt-20 -48.92 113.27 2.92 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.88 . . . . 5.6799999999999997 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -58.72 116.87 3.56 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.2 1.933 . . . . 6.0499999999999998 110.3 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 109.528 -1.429 . . . . 7.2000000000000002 109.528 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.274 0.559 . . . . 9.2200000000000006 109.509 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' C' ' 321' ' ' LYS . 2.5 ttmt 61.49 148.85 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 8.5099999999999998 109.466 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 9.7 mtpp 59.76 89.5 0.11 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 7.4199999999999999 109.417 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -59.56 -154.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.281 1.987 . . . . 5.0499999999999998 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.64 111.6 17.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 5.1399999999999997 109.45 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.66 -91.96 0.05 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 2.8500000000000001 109.614 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.06 148.55 47.92 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.92 -1.272 . . . . 1.27 109.92 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.37 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -1.067 . . . . 2.1099999999999999 109.579 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -94.29 157.89 15.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 1.01 109.497 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.59 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -139.03 -171.72 3.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.57999999999999996 109.497 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 4.6 p -153.3 161.33 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.91 . . . . 1.1599999999999999 109.497 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.7 tp -148.62 131.75 16.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.347 -0.846 . . . . 1.1699999999999999 109.436 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.9 tt0 -85.79 132.52 34.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 1.8100000000000001 109.547 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' C' ' 341' ' ' PHE . 36.2 mt -123.95 121.69 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 1.1299999999999999 109.256 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.17 151.43 41.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.234 -0.916 . . . . 2.8199999999999998 109.509 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.44 135.79 1.91 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.749 -1.34 . . . . 0.45000000000000001 109.749 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.8 ttt180 -80.95 -48.65 12.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -1.071 . . . . 3.0800000000000001 109.36 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.69 -46.63 84.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.298 -0.877 . . . . 2.54 109.296 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.495 ' NH1' HD12 ' A' ' 348' ' ' LEU . 7.4 tpp180 -62.48 -42.11 99.25 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.249 -0.907 . . . . 4.1100000000000003 109.387 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.518 ' CE1' ' O ' ' A' ' 329' ' ' THR . 56.3 t80 -54.22 -49.32 69.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.56999999999999995 109.433 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.09 -37.12 52.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -0.822 . . . . 1.6599999999999999 109.78 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 14.6 ttp -62.41 -46.91 86.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.236 -0.915 . . . . 1.29 109.906 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.2 m-85 -61.3 -54.29 45.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.133 -0.979 . . . . 0.40000000000000002 109.284 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.47 -35.08 27.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.384 -0.823 . . . . 3.8500000000000001 109.341 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.421 ' HG3' ' NZ ' ' D' ' 351' ' ' LYS . 11.4 tt0 -59.79 -49.96 75.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.188 -0.945 . . . . 1.78 109.54 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.96 -34.67 75.11 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.177 -0.952 . . . . 1.1699999999999999 108.779 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.73 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.332 -0.855 . . . . 1.2 109.662 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -36.53 81.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 2.1200000000000001 109.961 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.35 -53.33 59.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 110.079 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.539 HD12 ' NH1' ' A' ' 337' ' ' ARG . 46.2 mt -61.06 -41.27 96.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.602 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -35.29 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.008 . . . . 2.0899999999999999 109.877 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.07 -52.65 58.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 1.3799999999999999 109.506 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.43 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 27.1 ttmt -60.81 -43.43 98.19 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.317 -0.864 . . . . 2.6800000000000002 109.413 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.56 -36.1 73.39 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.586 -0.696 . . . . 1.3400000000000001 110.119 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.53 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.163 -0.961 . . . . 1.3 109.544 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -83.41 -10.97 58.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 1.8 109.464 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.61 -26.74 61.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 1.47 109.618 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.29 9.42 67.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.797 -1.321 . . . . 1.6599999999999999 109.797 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.24 105.06 16.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -1.168 . . . . 4.7800000000000002 109.7 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' C' ' 358' ' ' GLU . 3.3 pt-20 -48.92 113.33 2.97 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.272 -0.892 . . . . 6.1900000000000004 109.295 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -58.78 116.85 3.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.106 1.87 . . . . 6.1799999999999997 110.355 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 118.002 -1.443 . . . . 6.9000000000000004 109.549 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' D' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.459 -0.571 . . . . 7.6900000000000004 109.459 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' D' ' 321' ' ' LYS . 2.5 ttmt 61.36 148.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 7.4500000000000002 109.495 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 9.7 mtpp 59.8 89.53 0.1 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.346 -0.846 . . . . 6.8399999999999999 109.362 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.7 -154.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.291 1.994 . . . . 5.1200000000000001 110.191 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.69 111.59 17.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 4.6600000000000001 109.46 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.82 -91.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 2.46 109.587 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 148.61 47.74 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.763 -1.335 . . . . 1.0800000000000001 109.763 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.48 136.11 57.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.429 -1.042 . . . . 1.6699999999999999 109.542 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -94.04 157.95 15.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 1.01 109.489 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.1 m-85 -138.92 -171.77 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.069 -1.019 . . . . 0.63 109.461 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 4.5 p -153.18 161.27 42.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 109.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.7 tp -148.43 131.7 16.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 1.1000000000000001 109.517 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.9 tt0 -85.69 132.37 34.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.3700000000000001 109.607 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' D' ' 341' ' ' PHE . 36.8 mt -123.84 121.79 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 1.1499999999999999 109.27 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.19 151.45 41.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 2.77 109.601 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.79 1.9 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.793 -1.323 . . . . 0.42999999999999999 109.793 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.59 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.7 ttt180 -80.82 -48.71 12.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -1.112 . . . . 3.1200000000000001 109.48 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.77 -46.55 84.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.204 -0.935 . . . . 2.2200000000000002 109.223 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.526 ' NH1' HD12 ' B' ' 348' ' ' LEU . 7.4 tpp180 -62.44 -42.28 99.34 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.194 -0.941 . . . . 3.5 109.276 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.9 t80 -54.11 -49.48 69.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.805 . . . . 0.5 109.422 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -51.97 -37.05 51.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 109.772 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -62.59 -46.73 86.97 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.076 -1.015 . . . . 1.1399999999999999 109.885 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CD2' HG22 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.41 -54.27 45.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.132 -0.98 . . . . 0.32000000000000001 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -50.5 -35.02 27.32 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.448 -0.782 . . . . 2.96 109.399 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -59.79 -49.96 75.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 1.75 109.483 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.99 -34.66 75.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.306 -0.871 . . . . 1.0800000000000001 108.764 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.73 -53.93 52.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.37 -0.832 . . . . 1.22 109.674 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.68 -36.39 80.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.83 . . . . 1.73 109.928 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.42 -53.29 59.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 110.068 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.491 HD12 ' NH1' ' B' ' 337' ' ' ARG . 47.2 mt -61.1 -41.2 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 1.1100000000000001 109.502 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.63 -35.28 77.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.062 -1.024 . . . . 1.9099999999999999 109.879 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.06 -52.72 58.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 1.1699999999999999 109.563 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.421 ' NZ ' ' HG3' ' C' ' 343' ' ' GLU . 27.0 ttmt -60.69 -43.53 97.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.264 -0.897 . . . . 2.1499999999999999 109.424 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.45 -36.1 73.14 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.669 -0.644 . . . . 1.4399999999999999 110.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.51 74.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 1.3 109.529 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -83.42 -10.9 58.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.176 -0.952 . . . . 1.3999999999999999 109.448 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.65 -26.71 61.75 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 1.6000000000000001 109.657 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 9.35 67.39 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.748 -1.341 . . . . 1.5 109.748 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.2 104.87 16.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -1.22 . . . . 4.5499999999999998 109.817 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' D' ' 358' ' ' GLU . 3.3 pt-20 -49.02 113.31 2.98 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 5.6699999999999999 109.32 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.66 116.84 3.53 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.118 1.878 . . . . 6.1200000000000001 110.43 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.986 -1.452 . . . . 7.2699999999999996 109.616 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttt . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.242 0.544 . . . . 7.6600000000000001 109.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 60.76 -89.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 7.5099999999999998 109.711 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.13 141.1 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.944 . . . . 6.8099999999999996 109.513 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -63.38 -81.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.035 1.824 . . . . 5.1500000000000004 110.459 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.85 104.89 12.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.952 . . . . 4.7000000000000002 109.549 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.09 -159.67 0.32 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.848 . . . . 2.48 109.321 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 158.11 52.99 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.404 -1.478 . . . . 1.0800000000000001 109.404 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.48 136.97 57.64 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -1.174 . . . . 1.7 109.464 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.74 155.94 16.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.88 . . . . 1.04 109.581 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.15 -170.21 2.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.65000000000000002 109.49 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 29.0 p -154.2 158.61 40.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 109.554 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.76 129.13 13.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 1.0900000000000001 109.53 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.14 129.49 34.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.62 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.443 HD12 ' CG ' ' A' ' 341' ' ' PHE . 35.1 mt -124.03 121.27 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.07 -1.019 . . . . 1.1499999999999999 109.396 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.68 150.5 41.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.79 109.668 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.67 134.43 6.31 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.83 -1.308 . . . . 0.45000000000000001 109.83 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.488 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.9 ttm180 -79.4 -54.91 5.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 3.1600000000000001 109.331 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.0 -41.81 88.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 2.2200000000000002 109.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.416 ' NH1' HD12 ' C' ' 348' ' ' LEU . 8.2 tpp180 -62.45 -44.21 96.97 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.334 -0.853 . . . . 3.54 109.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' C' ' 329' ' ' THR . 78.4 t80 -55.1 -48.69 73.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.5 109.55 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.99 -36.99 51.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.929 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.1 ttp -62.82 -46.29 88.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.193 -0.942 . . . . 1.1499999999999999 109.925 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.443 ' CG ' HD12 ' A' ' 332' ' ' ILE . 23.1 m-85 -61.26 -50.42 73.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.34000000000000002 109.187 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.21 59.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.431 -0.793 . . . . 2.9399999999999999 109.631 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.92 -49.04 78.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.081 -1.012 . . . . 1.74 109.637 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.7 -33.12 73.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 1.0700000000000001 108.95 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.22 60.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.323 -0.86 . . . . 1.22 109.501 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.13 78.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.364 -0.835 . . . . 1.72 110.075 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.88 67.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.919 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.459 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 53.9 mt -61.8 -43.14 99.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.304 -0.873 . . . . 1.0800000000000001 109.585 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.5 -34.52 72.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.9099999999999999 109.573 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.61 -44.65 89.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 1.1499999999999999 109.452 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.99 -46.84 87.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.1400000000000001 109.102 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.54 -33.48 66.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.627 -0.671 . . . . 1.4299999999999999 109.666 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.84 73.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 1.3 109.662 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -81.39 -4.41 55.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.4199999999999999 109.699 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -7.41 48.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 1.5800000000000001 109.822 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.78 -13.05 70.53 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.724 -1.351 . . . . 1.54 109.724 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 46.85 1.43 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.086 -1.244 . . . . 4.5499999999999998 109.52 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 127.01 24.0 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 5.71 109.504 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.35 146.08 97.62 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.983 1.789 . . . . 6.0899999999999999 110.351 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.02 -1.433 . . . . 7.2400000000000002 109.573 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.564 -0.532 . . . . 7.6699999999999999 109.564 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 60.85 -89.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 7.46 109.626 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.17 141.09 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 6.79 109.52 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.5 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 122.05 1.834 . . . . 5.1500000000000004 110.395 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.1 mt -81.84 104.74 12.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.172 -0.955 . . . . 4.6600000000000001 109.573 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -82.0 -159.84 0.32 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.436 -0.79 . . . . 2.4700000000000002 109.367 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 158.08 52.76 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.396 -1.481 . . . . 1.0600000000000001 109.396 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.46 137.11 57.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -1.112 . . . . 1.6100000000000001 109.475 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -93.87 155.91 16.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.96999999999999997 109.578 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.5 m-85 -139.18 -170.23 2.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.59999999999999998 109.43 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.462 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 29.2 p -154.21 158.6 40.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 1.1000000000000001 109.528 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.7 129.17 13.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.52 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -87.13 129.63 34.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 109.651 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' CG ' ' B' ' 341' ' ' PHE . 34.6 mt -124.17 121.22 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 1.1699999999999999 109.324 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.59 150.51 41.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.79 109.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.6 134.45 6.28 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.797 -1.321 . . . . 0.47999999999999998 109.797 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.9 ttm180 -79.36 -54.97 5.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 3.2200000000000002 109.41 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.88 -42.05 88.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.473 -0.767 . . . . 2.21 109.603 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -62.08 -44.34 96.88 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.244 -0.91 . . . . 3.5499999999999998 109.286 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' D' ' 329' ' ' THR . 78.2 t80 -55.1 -48.69 73.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.491 -0.756 . . . . 0.52000000000000002 109.571 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.01 -36.93 51.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 110.028 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.79 -46.37 88.32 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 109.92 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' B' ' 332' ' ' ILE . 23.6 m-85 -61.1 -50.52 72.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.33000000000000002 109.249 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.14 59.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.383 -0.823 . . . . 3.02 109.644 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.96 -49.12 77.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -0.968 . . . . 1.75 109.61 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.49 -33.31 73.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 108.97 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.94 -53.28 59.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 1.21 109.458 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.18 78.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.362 -0.836 . . . . 1.6899999999999999 109.959 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.19 -51.85 67.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 1.0600000000000001 109.992 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 53.4 mt -61.81 -43.23 99.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.59 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.59 -34.4 72.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.9299999999999999 109.593 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.57 -44.68 89.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.477 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -62.01 -46.8 87.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.461 -0.774 . . . . 2.1899999999999999 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.66 -33.48 66.41 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.464 -0.772 . . . . 1.4299999999999999 109.619 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -46.78 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 1.3100000000000001 109.584 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -81.42 -4.35 55.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 1.3999999999999999 109.809 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.99 -7.5 49.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.129 -0.982 . . . . 1.5700000000000001 109.827 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -13.08 70.83 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.736 -1.346 . . . . 1.53 109.736 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 46.8 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -1.216 . . . . 4.5800000000000001 109.558 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.37 126.88 22.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.134 -0.979 . . . . 5.6799999999999997 109.602 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.12 146.04 98.08 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.032 1.821 . . . . 6.0499999999999998 110.396 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 118.008 -1.44 . . . . 7.2000000000000002 109.548 179.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.48 -0.563 . . . . 9.2200000000000006 109.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 60.78 -89.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 8.5099999999999998 109.663 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.2 141.19 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 7.4199999999999999 109.452 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.52 -81.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.072 1.848 . . . . 5.0499999999999998 110.359 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.92 104.82 12.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.089 -1.007 . . . . 5.1399999999999997 109.556 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -81.89 -159.78 0.31 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.8500000000000001 109.473 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 157.99 52.91 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.456 -1.458 . . . . 1.27 109.456 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.39 137.02 57.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -1.143 . . . . 2.1099999999999999 109.544 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.71 155.92 16.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.346 -0.846 . . . . 1.01 109.486 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.8 m-85 -139.03 -170.17 2.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.57999999999999996 109.485 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 29.6 p -154.26 158.57 40.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 1.1599999999999999 109.652 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.68 129.11 13.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.855 . . . . 1.1699999999999999 109.58 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.18 129.5 34.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.869 . . . . 1.8100000000000001 109.664 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.441 HD12 ' CG ' ' C' ' 341' ' ' PHE . 34.5 mt -123.99 121.24 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 1.1299999999999999 109.381 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.61 150.51 41.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 2.8199999999999998 109.707 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.73 134.31 6.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.812 -1.315 . . . . 0.45000000000000001 109.812 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.9 ttm180 -79.29 -55.02 5.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -1.151 . . . . 3.0800000000000001 109.395 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.0 -41.91 88.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 2.54 109.591 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.459 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 8.2 tpp180 -62.02 -44.49 96.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.33 -0.856 . . . . 4.1100000000000003 109.322 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -55.13 -48.66 73.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.808 . . . . 0.56999999999999995 109.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.94 -37.03 51.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.6599999999999999 109.98 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.75 -46.34 88.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.221 -0.924 . . . . 1.29 109.961 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CG ' HD12 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.14 -50.52 72.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.253 -0.904 . . . . 0.40000000000000002 109.26 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.53 -40.22 59.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.395 -0.816 . . . . 3.8500000000000001 109.581 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.93 -49.09 77.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.78 109.61 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.59 -33.22 73.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 1.1699999999999999 108.938 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.16 61.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.435 -0.791 . . . . 1.2 109.515 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.416 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 0.4 OUTLIER -62.49 -35.23 78.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.413 -0.804 . . . . 2.1200000000000001 110.003 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.17 -51.71 68.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 110.052 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.416 HD12 ' NH1' ' A' ' 337' ' ' ARG . 54.3 mt -61.96 -43.1 99.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.547 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.5 -34.49 72.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.368 -0.833 . . . . 2.0899999999999999 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.66 -44.69 89.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.352 -0.843 . . . . 1.3799999999999999 109.403 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.87 -46.92 87.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -0.858 . . . . 2.6800000000000002 109.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.59 -33.44 66.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.582 -0.699 . . . . 1.3400000000000001 109.676 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.88 73.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.378 -0.826 . . . . 1.3 109.612 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -81.4 -4.42 55.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.8 109.694 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -7.52 49.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.084 -1.01 . . . . 1.47 109.844 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 -12.96 70.83 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.77 -1.332 . . . . 1.6599999999999999 109.77 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.72 46.94 1.44 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -1.165 . . . . 4.7800000000000002 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.39 126.95 22.94 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.119 -0.988 . . . . 6.1900000000000004 109.52 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.29 146.05 97.77 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.968 1.779 . . . . 6.1799999999999997 110.371 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.587 -1.405 . . . . 6.9000000000000004 109.587 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.324 0.583 . . . . 7.6900000000000004 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 60.77 -89.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.265 -0.897 . . . . 7.4500000000000002 109.663 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.24 141.0 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 6.8399999999999999 109.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.46 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.031 1.821 . . . . 5.1200000000000001 110.348 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.87 104.86 12.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 4.6600000000000001 109.535 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.03 -159.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 2.46 109.407 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 158.13 52.95 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.308 -1.517 . . . . 1.0800000000000001 109.308 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.49 137.02 57.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.237 -1.154 . . . . 1.6699999999999999 109.49 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -93.76 155.92 16.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 1.01 109.575 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.8 m-85 -139.13 -169.96 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.63 109.504 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.517 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 28.8 p -154.39 158.59 40.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.153 -0.967 . . . . 1.1299999999999999 109.482 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -148.72 129.24 13.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 1.1000000000000001 109.496 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.23 129.56 34.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.3700000000000001 109.625 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.44 HD12 ' CG ' ' D' ' 341' ' ' PHE . 34.5 mt -124.04 121.26 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.163 -0.961 . . . . 1.1499999999999999 109.341 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 150.56 41.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 2.77 109.75 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.69 134.36 6.29 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.836 -1.306 . . . . 0.42999999999999999 109.836 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.8 ttm180 -79.41 -54.9 5.48 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.332 -1.099 . . . . 3.1200000000000001 109.376 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -58.92 -41.94 88.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.421 -0.8 . . . . 2.2200000000000002 109.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 8.2 tpp180 -62.25 -44.27 96.93 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.288 -0.883 . . . . 3.5 109.279 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' B' ' 329' ' ' THR . 78.0 t80 -55.11 -48.72 73.23 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.818 . . . . 0.5 109.555 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.85 -37.1 50.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.96 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.74 -46.27 88.85 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.171 -0.956 . . . . 1.1399999999999999 109.98 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.44 ' CG ' HD12 ' D' ' 332' ' ' ILE . 23.3 m-85 -61.24 -50.56 72.55 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.142 -0.974 . . . . 0.32000000000000001 109.142 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -51.52 -40.28 59.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.446 -0.784 . . . . 2.96 109.55 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.8 -49.11 77.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.75 109.654 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.6 -33.24 73.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.224 -0.922 . . . . 1.0800000000000001 109.001 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.89 -53.21 60.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.382 -0.824 . . . . 1.22 109.551 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -34.95 77.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 1.73 110.03 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.38 -51.81 67.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 109.98 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.78 -43.21 99.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.381 -0.824 . . . . 1.1100000000000001 109.565 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -59.49 -34.46 72.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.587 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -64.7 -44.6 89.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 1.1699999999999999 109.527 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 36.5 ttmt -61.88 -46.93 87.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 2.1499999999999999 109.114 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.55 -33.52 66.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.464 -0.773 . . . . 1.4399999999999999 109.679 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.76 73.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 1.3 109.611 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -81.51 -4.35 55.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 1.3999999999999999 109.74 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -7.51 48.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.6000000000000001 109.826 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.75 -13.04 70.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.678 -1.369 . . . . 1.5 109.678 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 46.98 1.44 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.136 -1.214 . . . . 4.5499999999999998 109.559 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.51 127.03 23.78 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 5.6699999999999999 109.496 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.39 146.13 97.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.905 1.737 . . . . 6.1200000000000001 110.377 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.969 -1.462 . . . . 7.2699999999999996 109.592 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.471 -0.566 . . . . 7.6600000000000001 109.471 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 28.2 mttt 57.92 25.11 11.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 7.5099999999999998 109.58 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.48 90.36 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 6.8099999999999996 109.454 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -67.38 -3.71 10.51 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.128 1.886 . . . . 5.1500000000000004 110.546 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -85.75 61.46 6.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 4.7000000000000002 109.427 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -78.58 179.08 7.31 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.48 -0.763 . . . . 2.48 109.651 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' C' ' 333' ' ' ARG . . . -68.15 169.17 40.1 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 1.0800000000000001 109.532 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.96 134.97 57.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.051 . . . . 1.7 109.694 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 8.1 m-85 -92.89 159.6 15.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 1.04 109.261 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -139.11 -171.81 3.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.094 -1.004 . . . . 0.65000000000000002 109.756 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 10.8 p -153.14 158.74 42.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 109.511 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' C' ' 342' ' ' ARG . 14.3 tp -147.75 132.52 17.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 1.0900000000000001 109.387 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.94 133.41 33.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 109.423 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.546 HG22 ' CD2' ' A' ' 341' ' ' PHE . 35.6 mt -123.95 117.72 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 109.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.461 ' CZ ' ' HA3' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -73.82 133.52 43.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.79 109.551 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.419 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 101.7 129.92 6.85 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.763 -1.335 . . . . 0.45000000000000001 109.763 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -77.27 -51.23 11.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 3.1600000000000001 109.232 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.62 -45.83 88.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.414 -0.804 . . . . 2.2200000000000002 109.278 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.535 ' NH1' ' CD1' ' C' ' 348' ' ' LEU . 9.8 tpp180 -62.28 -40.94 97.91 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 3.54 108.909 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' C' ' 329' ' ' THR . 73.3 t80 -55.68 -47.37 76.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.364 -0.835 . . . . 0.5 109.5 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.51 -40.5 59.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 1.6599999999999999 109.824 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.03 -44.95 95.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 110.264 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.546 ' CD2' HG22 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.33 -54.58 41.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.34000000000000002 109.485 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.435 ' HA ' HD12 ' C' ' 330' ' ' LEU . 6.5 ttm180 -50.09 -37.49 34.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.335 -0.853 . . . . 2.9399999999999999 109.597 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -45.27 95.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.74 109.827 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.78 -43.64 98.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 109.616 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.16 -46.2 86.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 1.22 109.804 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.95 -37.51 87.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 1.72 109.967 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.81 -51.73 68.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 1.0700000000000001 109.988 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.47 HD13 ' CZ ' ' C' ' 341' ' ' PHE . 69.5 mt -61.27 -42.75 99.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 109.937 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.15 -37.55 80.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.28 -0.888 . . . . 1.9099999999999999 109.636 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.541 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.1 tt -64.75 -41.62 95.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 1.1499999999999999 109.354 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -45.97 91.16 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.769 0.795 . . . . 2.1400000000000001 109.145 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.437 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 3.0 m-20 -55.23 -31.06 61.19 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.706 -0.621 . . . . 1.4299999999999999 109.594 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.21 85.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.855 . . . . 1.3 109.378 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -81.69 -2.88 52.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.4199999999999999 109.42 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -70.67 -63.97 0.99 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.146 -0.971 . . . . 1.5800000000000001 109.597 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.87 69.78 3.25 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.525 -1.43 . . . . 1.54 109.525 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -87.3 5.35 38.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.262 -1.14 . . . . 4.5499999999999998 109.682 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 1.8 tt0 -50.59 145.99 10.17 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.237 -0.914 . . . . 5.71 109.54 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.434 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 2.0 Cg_endo -63.13 155.48 60.98 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.111 1.874 . . . . 6.0899999999999999 110.193 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 7.2400000000000002 109.495 179.806 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.306 0.574 . . . . 7.6699999999999999 109.526 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 57.98 25.25 12.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 7.46 109.53 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.31 90.45 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 6.79 109.506 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.51 -3.59 10.42 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.093 1.862 . . . . 5.1500000000000004 110.535 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -85.74 61.38 6.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.012 -1.055 . . . . 4.6600000000000001 109.41 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -78.69 178.78 7.59 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.429 -0.794 . . . . 2.4700000000000002 109.723 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.432 ' HA3' ' CZ ' ' D' ' 333' ' ' ARG . . . -67.71 168.92 38.89 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.605 -1.398 . . . . 1.0600000000000001 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.88 134.96 57.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -1.13 . . . . 1.6100000000000001 109.715 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.61 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.2 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -139.02 -171.75 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.59999999999999998 109.765 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 10.6 p -153.18 158.72 42.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.447 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' D' ' 342' ' ' ARG . 14.3 tp -147.79 132.43 17.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.474 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.1 tt0 -85.86 133.41 33.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.902 . . . . 1.3600000000000001 109.504 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' B' ' 341' ' ' PHE . 35.7 mt -123.96 117.77 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 109.532 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.494 ' CZ ' ' HA3' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -73.87 133.56 43.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 2.79 109.449 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.42 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 101.64 129.86 6.83 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.842 -1.303 . . . . 0.47999999999999998 109.842 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -77.21 -51.14 11.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -1.15 . . . . 3.2200000000000002 109.304 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.8 -45.73 89.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.4 -0.812 . . . . 2.21 109.239 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' CD1' ' D' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.84 97.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.359 -0.838 . . . . 3.5499999999999998 108.979 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' D' ' 329' ' ' THR . 73.8 t80 -55.56 -47.57 76.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.43 -0.794 . . . . 0.52000000000000002 109.503 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.4 -40.6 59.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.443 -0.786 . . . . 1.6799999999999999 109.815 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.97 -45.03 95.44 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.297 -0.877 . . . . 1.1499999999999999 110.174 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.548 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.9 m-85 -61.36 -54.39 44.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.996 . . . . 0.33000000000000002 109.528 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' D' ' 330' ' ' LEU . 6.5 ttm180 -50.15 -37.43 34.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.372 -0.83 . . . . 3.02 109.633 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -45.28 95.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 1.75 109.745 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.77 -43.61 98.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 1.0700000000000001 109.614 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -58.31 -46.16 86.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 1.21 109.776 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.47 87.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.331 -0.855 . . . . 1.6899999999999999 110.022 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.93 -51.59 68.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 1.0600000000000001 110.002 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.52 ' CD1' ' NH1' ' D' ' 337' ' ' ARG . 69.6 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.858 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.437 ' CG ' ' H1 ' ' D' ' 504' ' ' HOH . 1.3 mt-10 -60.03 -37.43 79.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.895 . . . . 1.9299999999999999 109.813 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.425 ' O ' HD22 ' B' ' 350' ' ' LEU . 1.1 tt -64.66 -41.87 95.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 1.1399999999999999 109.263 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.541 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 0.3 OUTLIER -61.98 -46.23 90.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 2.1899999999999999 109.086 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.43 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 3.0 m-20 -55.12 -30.83 60.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.646 . . . . 1.4299999999999999 109.723 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.28 85.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.863 . . . . 1.3100000000000001 109.362 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -81.58 -2.96 51.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 1.3999999999999999 109.489 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -70.5 -64.12 0.96 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 1.5700000000000001 109.551 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.71 69.67 3.26 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.602 -1.399 . . . . 1.53 109.602 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -87.3 5.4 38.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.294 -1.121 . . . . 4.5800000000000001 109.685 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 1.8 tt0 -50.68 145.95 10.47 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 5.6799999999999997 109.486 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.431 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 2.0 Cg_endo -63.06 155.49 60.65 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.121 1.881 . . . . 6.0499999999999998 110.276 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 CA-C-O 117.996 -1.446 . . . . 7.2000000000000002 109.607 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.52 -0.548 . . . . 9.2200000000000006 109.52 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 28.0 mttt 57.92 25.3 11.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.279 -0.888 . . . . 8.5099999999999998 109.514 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.31 90.47 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.161 -0.962 . . . . 7.4199999999999999 109.447 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -67.39 -3.8 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.173 1.916 . . . . 5.0499999999999998 110.529 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.8 mt -85.67 61.31 6.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 5.1399999999999997 109.403 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -78.48 178.95 7.35 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.474 -0.766 . . . . 2.8500000000000001 109.785 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.461 ' HA3' ' CZ ' ' A' ' 333' ' ' ARG . . . -67.96 169.01 39.64 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.549 -1.42 . . . . 1.27 109.549 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.92 135.01 57.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.33 -1.1 . . . . 2.1099999999999999 109.752 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.02 159.67 15.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.94 . . . . 1.01 109.143 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.1 m-85 -139.11 -171.76 3.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 0.57999999999999996 109.781 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 10.9 p -153.09 158.75 42.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.202 -0.936 . . . . 1.1599999999999999 109.557 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 342' ' ' ARG . 14.2 tp -147.82 132.45 17.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 1.1699999999999999 109.442 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.1 tt0 -85.8 133.36 33.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.867 . . . . 1.8100000000000001 109.495 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.55 HG22 ' CD2' ' C' ' 341' ' ' PHE . 36.0 mt -123.92 117.89 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 1.1299999999999999 109.511 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -73.95 133.56 43.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 2.8199999999999998 109.505 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.423 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 101.66 129.86 6.83 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.911 -1.275 . . . . 0.45000000000000001 109.911 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -77.2 -51.2 11.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.107 . . . . 3.0800000000000001 109.276 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.7 -45.72 88.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 2.54 109.318 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.456 ' NH1' ' CD1' ' A' ' 348' ' ' LEU . 9.8 tpp180 -62.36 -40.92 97.99 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -0.905 . . . . 4.1100000000000003 108.92 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 73.9 t80 -55.56 -47.47 76.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.56999999999999995 109.534 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.37 -40.66 59.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.835 . . . . 1.6599999999999999 109.877 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.95 -45.09 95.21 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.261 -0.899 . . . . 1.29 110.195 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.55 ' CD2' HG22 ' C' ' 332' ' ' ILE . 21.2 m-85 -61.18 -54.58 42.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.152 -0.967 . . . . 0.40000000000000002 109.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' A' ' 330' ' ' LEU . 6.5 ttm180 -50.17 -37.41 34.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.322 -0.861 . . . . 3.8500000000000001 109.597 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.32 95.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 1.78 109.841 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.81 -43.54 98.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.235 -0.915 . . . . 1.1699999999999999 109.607 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -58.28 -46.23 86.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.2 109.736 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.45 86.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 2.1200000000000001 109.937 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.62 68.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 1.0700000000000001 110.007 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.535 ' CD1' ' NH1' ' A' ' 337' ' ' ARG . 69.9 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.262 -0.899 . . . . 1.1399999999999999 109.826 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.47 79.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 2.0899999999999999 109.765 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.1 tt -64.72 -41.76 95.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 1.3799999999999999 109.253 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.543 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -62.0 -46.13 90.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.423 -0.798 . . . . 2.6800000000000002 109.171 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.442 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 3.0 m-20 -55.21 -30.83 60.75 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.69 -0.631 . . . . 1.3400000000000001 109.657 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.37 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -0.91 . . . . 1.3 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -81.59 -2.92 51.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.879 . . . . 1.8 109.505 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -70.59 -64.18 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.47 109.572 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.6 69.63 3.26 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.652 -1.379 . . . . 1.6599999999999999 109.652 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -87.38 5.54 38.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -1.114 . . . . 4.7800000000000002 109.643 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.441 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 1.8 tt0 -50.64 146.08 10.16 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 6.1900000000000004 109.471 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.441 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 2.0 Cg_endo -63.21 155.47 61.33 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.08 1.853 . . . . 6.1799999999999997 110.26 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 118.031 -1.427 . . . . 6.9000000000000004 109.549 179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.321 0.581 . . . . 7.6900000000000004 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 57.78 25.39 11.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 7.4500000000000002 109.458 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.37 90.33 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.3 -0.875 . . . . 6.8399999999999999 109.481 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.45 -3.49 10.19 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.123 1.882 . . . . 5.1200000000000001 110.549 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -85.86 61.4 6.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.032 -1.042 . . . . 4.6600000000000001 109.414 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -78.64 178.86 7.5 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.485 -0.76 . . . . 2.46 109.597 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' B' ' 333' ' ' ARG . . . -67.9 169.01 39.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.569 -1.412 . . . . 1.0800000000000001 109.569 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.87 134.96 57.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -1.178 . . . . 1.6699999999999999 109.643 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.63 15.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -0.828 . . . . 1.01 109.181 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.9 m-85 -139.12 -171.73 3.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.63 109.703 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.0 p -153.16 158.6 42.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 1.1299999999999999 109.569 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' B' ' 342' ' ' ARG . 14.3 tp -147.68 132.54 18.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.302 -0.874 . . . . 1.1000000000000001 109.41 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.9 133.43 33.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 1.3700000000000001 109.539 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' D' ' 341' ' ' PHE . 35.7 mt -124.0 117.71 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.923 . . . . 1.1499999999999999 109.486 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.484 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.79 133.53 43.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.77 109.457 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.427 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 101.58 129.91 6.85 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.889 -1.285 . . . . 0.42999999999999999 109.889 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.583 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -77.24 -51.27 11.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 109.321 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 2.2200000000000002 109.25 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.52 ' NH1' ' CD1' ' B' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.92 97.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.264 -0.898 . . . . 3.5 108.936 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' B' ' 329' ' ' THR . 73.6 t80 -55.61 -47.42 76.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.509 -0.745 . . . . 0.5 109.554 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.45 -40.52 59.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 1.6899999999999999 109.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -61.97 -45.1 95.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.189 -0.944 . . . . 1.1399999999999999 110.2 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.551 ' CD2' HG22 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.21 -54.58 42.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.118 -0.988 . . . . 0.32000000000000001 109.468 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' B' ' 330' ' ' LEU . 6.5 ttm180 -50.17 -37.31 34.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 2.96 109.682 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -45.25 95.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.923 . . . . 1.75 109.796 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.74 -43.74 98.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.966 . . . . 1.0800000000000001 109.552 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -58.27 -46.16 86.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.324 -0.86 . . . . 1.22 109.789 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.94 -37.48 87.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.215 -0.928 . . . . 1.73 109.95 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.78 -51.63 68.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 1.0700000000000001 110.056 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' B' ' 341' ' ' PHE . 69.2 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.1100000000000001 109.877 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . 0.41 ' CG ' ' H1 ' ' B' ' 503' ' ' HOH . 1.2 mt-10 -60.15 -37.38 79.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.732 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.86 -41.7 95.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 1.1699999999999999 109.337 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -46.05 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 2.1499999999999999 109.144 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.442 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 3.0 m-20 -55.2 -30.91 60.91 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.789 -0.57 . . . . 1.4399999999999999 109.605 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.13 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.383 -0.823 . . . . 1.3 109.312 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -81.65 -2.97 52.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 1.3999999999999999 109.441 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -70.56 -64.04 0.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 1.6000000000000001 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.76 69.77 3.24 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.584 -1.406 . . . . 1.5 109.584 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -87.46 5.54 38.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.148 -1.207 . . . . 4.5499999999999998 109.657 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.439 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 1.8 tt0 -50.75 145.95 10.64 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.203 -0.935 . . . . 5.6699999999999999 109.521 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.439 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 2.0 Cg_endo -63.1 155.55 60.4 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.168 1.912 . . . . 6.1200000000000001 110.142 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.905 -1.497 . . . . 7.2699999999999996 109.577 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . 0.41 ' H1 ' ' CG ' ' D' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . 0.437 ' H1 ' ' CG ' ' B' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.39 -0.596 . . . . 7.6600000000000001 109.39 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.78 -148.16 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.372 -0.83 . . . . 7.5099999999999998 109.377 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.88 81.23 0.21 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.122 -0.986 . . . . 6.8099999999999996 109.664 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -69.3 0.97 4.54 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.316 2.01 . . . . 5.1500000000000004 110.74 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.22 49.01 1.57 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 4.7000000000000002 109.855 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.27 -171.85 2.22 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.308 -0.87 . . . . 2.48 109.332 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 154.13 53.09 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.548 -1.421 . . . . 1.0800000000000001 109.548 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.42 130.06 44.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -1.105 . . . . 1.7 109.279 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.21 158.2 15.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 1.04 109.651 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.1 m-85 -137.4 -166.86 2.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.254 -0.904 . . . . 0.65000000000000002 109.324 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.6 p -151.96 159.26 43.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.1399999999999999 109.418 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.0 tp -146.94 130.34 16.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 1.0900000000000001 109.321 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.16 131.16 34.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 1.3700000000000001 109.471 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.3 mt -123.8 120.53 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 1.1499999999999999 109.675 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 21.1 ttt180 -73.83 147.65 43.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.327 -0.858 . . . . 2.79 109.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 134.99 4.81 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.807 -1.317 . . . . 0.45000000000000001 109.807 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -80.38 -49.78 11.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -1.169 . . . . 3.1600000000000001 109.49 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.03 -47.72 82.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.2200000000000002 109.18 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -38.97 83.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.809 . . . . 3.54 109.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.6 t80 -54.98 -56.39 20.22 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.5 109.542 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.85 -34.73 29.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.6599999999999999 109.68 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.41 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 9.3 ttp -63.57 -50.51 69.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.312 -0.867 . . . . 1.1499999999999999 110.047 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.51 -55.2 36.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.16 -0.963 . . . . 0.34000000000000002 109.185 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.71 -33.61 23.57 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.378 -0.826 . . . . 2.9399999999999999 109.394 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 340' ' ' MET . 30.2 tt0 -62.34 -46.71 87.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 1.74 109.576 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 41.7 mt -61.75 -43.26 99.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.362 -0.836 . . . . 1.0700000000000001 109.443 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -58.14 -48.23 80.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.22 109.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.75 -35.67 80.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.296 -0.878 . . . . 1.72 109.955 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.51 -52.65 64.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 1.0700000000000001 109.784 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.43 -38.71 88.13 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.301 -0.874 . . . . 1.0800000000000001 109.558 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.42 -38.56 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.359 -0.838 . . . . 1.9099999999999999 109.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.7 tt -64.21 -45.41 88.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 1.1499999999999999 109.777 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.48 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -61.07 -39.76 91.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.882 . . . . 2.1400000000000001 108.983 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.61 -33.96 66.75 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.511 -0.743 . . . . 1.4299999999999999 109.648 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.38 87.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 1.3 109.419 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.03 -0.58 40.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 1.4199999999999999 109.545 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.81 -84.8 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 1.5800000000000001 109.735 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 60.07 4.76 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.891 -1.283 . . . . 1.54 109.891 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.79 7.85 28.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.112 -1.228 . . . . 4.5499999999999998 109.673 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.84 108.39 0.94 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.898 . . . . 5.71 109.678 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -59.02 168.75 4.17 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.094 1.862 . . . . 6.0899999999999999 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.479 -1.448 . . . . 7.2400000000000002 109.479 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.444 -0.576 . . . . 7.6699999999999999 109.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 60.89 -148.19 0.43 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 7.46 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.9 81.21 0.21 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.211 -0.931 . . . . 6.79 109.648 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.36 1.09 4.47 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.351 2.034 . . . . 5.1500000000000004 110.705 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.29 49.0 1.58 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 4.6600000000000001 109.886 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.24 -172.02 2.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.259 -0.901 . . . . 2.4700000000000002 109.351 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.95 154.11 53.02 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.629 -1.388 . . . . 1.0600000000000001 109.629 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.45 130.04 44.89 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -1.146 . . . . 1.6100000000000001 109.269 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 39.8 m-85 -93.3 158.27 15.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.96999999999999997 109.637 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.2 m-85 -137.41 -167.02 2.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.344 -0.848 . . . . 0.59999999999999998 109.374 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -151.88 159.2 43.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 1.1000000000000001 109.447 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.1 tp -146.9 130.3 16.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 1.1000000000000001 109.254 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.11 131.16 34.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 1.3600000000000001 109.433 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.0 mt -123.82 120.44 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 1.1699999999999999 109.66 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -73.71 147.72 43.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.495 -0.753 . . . . 2.79 109.683 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.07 135.01 4.8 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.814 -1.314 . . . . 0.47999999999999998 109.814 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -80.33 -49.83 10.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -1.141 . . . . 3.2200000000000002 109.498 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.06 -47.69 82.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.883 . . . . 2.21 109.169 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -39.02 83.46 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.454 -0.779 . . . . 3.5499999999999998 109.353 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.07 -56.27 21.74 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.383 -0.823 . . . . 0.52000000000000002 109.498 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -50.82 -34.81 29.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 1.6799999999999999 109.696 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 9.3 ttp -63.56 -50.44 69.47 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 110.112 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.64 -55.09 37.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.159 -0.963 . . . . 0.33000000000000002 109.218 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.81 -33.52 23.88 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.382 -0.824 . . . . 3.02 109.383 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' B' ' 340' ' ' MET . 30.2 tt0 -62.31 -46.77 87.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.026 -1.046 . . . . 1.75 109.615 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.64 -43.38 98.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 1.0700000000000001 109.502 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -58.05 -48.22 80.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.21 109.979 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.82 -35.46 79.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -0.861 . . . . 1.6899999999999999 109.918 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.63 -52.7 64.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 1.0600000000000001 109.791 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.35 -38.8 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 1.0800000000000001 109.507 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.28 -38.72 84.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 1.9299999999999999 109.851 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.7 tt -64.23 -45.41 88.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 109.785 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.97 -39.71 90.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 2.1899999999999999 109.015 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.64 -34.08 66.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.614 -0.679 . . . . 1.4299999999999999 109.642 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.27 87.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 1.3100000000000001 109.424 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.07 -0.61 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 1.3999999999999999 109.447 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -84.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 1.5700000000000001 109.784 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 60.02 4.78 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.941 -1.264 . . . . 1.53 109.941 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.406 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 4.1 tttm -87.86 7.94 28.35 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.239 -1.154 . . . . 4.5800000000000001 109.656 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.78 108.42 0.95 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 5.6799999999999997 109.557 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 4.6 Cg_exo -58.97 168.81 4.04 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.016 1.81 . . . . 6.0499999999999998 110.418 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.982 -1.455 . . . . 7.2000000000000002 109.543 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.9 tptt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.394 -0.595 . . . . 9.2200000000000006 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.72 -148.1 0.44 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 8.5099999999999998 109.414 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.84 81.32 0.21 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.184 -0.948 . . . . 7.4199999999999999 109.608 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.3 0.94 4.6 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.398 2.065 . . . . 5.0499999999999998 110.742 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.2 49.05 1.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.145 -0.972 . . . . 5.1399999999999997 109.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -171.95 2.25 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.265 -0.897 . . . . 2.8500000000000001 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.12 154.2 53.07 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.666 -1.374 . . . . 1.27 109.666 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.52 130.03 44.85 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -1.071 . . . . 2.1099999999999999 109.34 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 39.7 m-85 -93.22 158.28 15.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 1.01 109.593 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.2 m-85 -137.32 -166.9 2.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.57999999999999996 109.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.8 p -151.88 159.43 43.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 1.1599999999999999 109.485 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.9 tp -147.08 130.28 16.5 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.26 -0.9 . . . . 1.1699999999999999 109.297 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 36.4 tt0 -85.2 131.14 34.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 1.8100000000000001 109.407 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 29.0 mt -123.84 120.52 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 1.1299999999999999 109.66 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 21.2 ttt180 -73.79 147.8 43.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 2.8199999999999998 109.547 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.1 134.94 4.79 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.805 -1.318 . . . . 0.45000000000000001 109.805 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -80.36 -49.81 10.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.38 -1.071 . . . . 3.0800000000000001 109.491 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.08 -47.59 82.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 2.54 109.227 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -39.02 83.64 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.36 -0.838 . . . . 4.1100000000000003 109.312 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.6 t80 -54.96 -56.32 20.99 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.421 -0.8 . . . . 0.56999999999999995 109.538 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.86 -34.83 29.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.6599999999999999 109.71 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 9.3 ttp -63.45 -50.58 69.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 1.29 110.066 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.46 -55.16 36.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.40000000000000002 109.178 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.83 -33.51 23.97 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.8500000000000001 109.435 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' C' ' 340' ' ' MET . 30.1 tt0 -62.34 -46.73 87.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.16 -0.962 . . . . 1.78 109.53 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 41.5 mt -61.76 -43.31 99.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 1.1699999999999999 109.423 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -58.06 -48.29 80.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.857 . . . . 1.2 109.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.71 -35.55 80.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.95 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.55 -52.79 64.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 1.0700000000000001 109.727 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.32 -38.77 88.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 1.1399999999999999 109.561 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.32 -38.65 84.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.277 -0.889 . . . . 2.0899999999999999 109.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.7 tt -64.23 -45.4 88.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 1.3799999999999999 109.763 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.93 -39.78 90.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 2.6800000000000002 108.928 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.71 -34.05 67.08 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.501 -0.749 . . . . 1.3400000000000001 109.587 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.36 87.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 1.3 109.465 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -81.02 -0.69 40.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 1.8 109.529 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.69 -84.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.248 -0.908 . . . . 1.47 109.806 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 60.07 4.77 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.927 -1.269 . . . . 1.6599999999999999 109.927 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.4 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 4.1 tttm -87.9 7.85 28.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -1.233 . . . . 4.7800000000000002 109.593 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.86 108.44 0.95 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 6.1900000000000004 109.633 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 4.6 Cg_exo -58.93 168.73 4.1 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.05 1.834 . . . . 6.1799999999999997 110.419 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.947 -1.474 . . . . 6.9000000000000004 109.508 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.392 -0.596 . . . . 7.6900000000000004 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.86 -148.05 0.43 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -0.921 . . . . 7.4500000000000002 109.378 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.8 81.26 0.21 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.16 -0.963 . . . . 6.8399999999999999 109.662 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.35 0.99 4.56 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.412 2.075 . . . . 5.1200000000000001 110.754 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.21 48.9 1.55 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.997 . . . . 4.6600000000000001 109.857 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.2 -171.96 2.24 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.306 -0.871 . . . . 2.46 109.37 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.1 154.19 53.06 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.721 -1.352 . . . . 1.0800000000000001 109.721 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.48 130.11 45.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.303 -1.116 . . . . 1.6699999999999999 109.198 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.28 158.28 15.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 1.01 109.619 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 92.3 m-85 -137.41 -167.01 2.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.292 -0.88 . . . . 0.63 109.416 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.8 p -151.82 159.33 43.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 1.1299999999999999 109.432 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.1 tp -147.05 130.3 16.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.382 -0.823 . . . . 1.1000000000000001 109.221 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.08 131.17 34.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 1.3700000000000001 109.423 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.2 mt -123.94 120.48 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 1.1499999999999999 109.593 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 21.3 ttt180 -73.79 147.69 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 2.77 109.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.16 135.07 4.87 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.747 -1.341 . . . . 0.42999999999999999 109.747 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -80.42 -49.81 10.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.272 -1.134 . . . . 3.1200000000000001 109.476 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.13 -47.63 82.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.911 . . . . 2.2200000000000002 109.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -39.11 83.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 3.5 109.243 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.6 t80 -54.89 -56.37 20.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.464 -0.772 . . . . 0.5 109.559 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -50.84 -34.83 29.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.426 -0.796 . . . . 1.6899999999999999 109.701 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 9.3 ttp -63.44 -50.63 68.99 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.269 -0.894 . . . . 1.1399999999999999 110.045 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.47 -55.14 37.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.32000000000000001 109.221 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.77 -33.57 23.82 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.319 -0.863 . . . . 2.96 109.4 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' D' ' 340' ' ' MET . 30.1 tt0 -62.38 -46.71 87.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 1.75 109.593 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 42.4 mt -61.62 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.294 -0.879 . . . . 1.0800000000000001 109.521 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -58.09 -48.32 80.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 1.22 109.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.79 -35.47 79.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -0.864 . . . . 1.73 109.912 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.48 -52.81 63.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 1.0700000000000001 109.799 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.38 -38.64 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 1.1100000000000001 109.582 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.34 -38.77 84.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.3 -0.875 . . . . 1.9099999999999999 109.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.7 tt -64.16 -45.4 88.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 1.1699999999999999 109.765 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -60.9 -39.78 90.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.867 . . . . 2.1499999999999999 109.037 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.8 -33.87 67.11 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.641 -0.662 . . . . 1.4399999999999999 109.616 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.35 87.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.206 -0.934 . . . . 1.3 109.356 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.01 -0.62 40.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 1.3999999999999999 109.495 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -84.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.244 -0.91 . . . . 1.6000000000000001 109.835 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 60.16 4.76 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.947 -1.261 . . . . 1.5 109.947 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.93 7.9 28.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -1.224 . . . . 4.5499999999999998 109.643 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.81 108.46 0.95 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 5.6699999999999999 109.641 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -59.08 168.93 4.04 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.066 1.844 . . . . 6.1200000000000001 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.043 -1.42 . . . . 7.2699999999999996 109.609 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 11.1 tttt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.485 -0.561 . . . . 7.6600000000000001 109.485 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 5.2 mttt 59.49 -89.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 7.5099999999999998 109.469 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 319' ' ' LYS . 21.9 mttt 62.11 85.91 0.16 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 6.8099999999999996 109.639 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -68.23 -1.95 8.1 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.298 1.998 . . . . 5.1500000000000004 110.658 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 323' ' ' LEU . 7.8 mt -83.03 11.86 5.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.072 -1.018 . . . . 4.7000000000000002 109.772 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -78.14 -84.58 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 2.48 110.109 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 134.99 28.13 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.915 -1.274 . . . . 1.0800000000000001 109.915 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.85 142.52 58.21 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.643 -0.916 . . . . 1.7 109.588 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 6.1 m-85 -95.77 155.38 16.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 1.04 109.117 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.1 m-85 -139.38 -169.35 2.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.127 -0.983 . . . . 0.65000000000000002 109.859 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.9 p -153.18 161.04 42.88 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 109.3 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.4 tp -149.37 132.29 16.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.21 -0.931 . . . . 1.0900000000000001 109.632 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 27.6 tt0 -85.66 129.05 34.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 1.3700000000000001 109.244 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.88 116.74 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 1.1499999999999999 109.787 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.449 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 44.1 ttt180 -74.07 152.48 39.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.913 . . . . 2.79 109.422 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.72 137.96 6.78 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.762 -1.335 . . . . 0.45000000000000001 109.762 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.6 ttt-85 -82.66 -54.25 5.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -1.132 . . . . 3.1600000000000001 109.463 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.18 -46.37 85.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 2.2200000000000002 109.391 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -43.47 98.82 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.275 -0.891 . . . . 3.54 109.528 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 29.2 t80 -54.77 -57.33 11.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.316 -0.865 . . . . 0.5 109.704 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.56 -34.06 35.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.735 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.82 -49.68 73.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 1.1499999999999999 109.896 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -60.97 -49.95 75.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.34000000000000002 109.152 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.59 -40.11 59.19 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.423 -0.798 . . . . 2.9399999999999999 109.747 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 1.74 109.975 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.8 -43.47 98.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.172 -0.955 . . . . 1.0700000000000001 109.469 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.11 -49.36 77.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 1.22 109.688 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -32.22 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 1.72 109.833 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.39 -50.76 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 1.0700000000000001 110.086 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.28 -44.01 97.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 1.0800000000000001 109.74 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.8 -36.63 74.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.91 . . . . 1.9099999999999999 109.65 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 18.3 tp -64.65 -42.29 95.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.844 . . . . 1.1499999999999999 109.525 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.0 ttmm -62.43 -43.09 99.65 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.333 -0.854 . . . . 2.1400000000000001 109.272 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -55.99 -36.04 67.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.478 -0.764 . . . . 1.4299999999999999 109.812 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.49 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 1.3 109.838 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -5.72 58.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 1.4199999999999999 109.801 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -9.75 58.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.168 -0.957 . . . . 1.5800000000000001 109.461 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.68 14.26 52.57 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.665 -1.374 . . . . 1.54 109.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 30.2 tttt -86.67 19.31 2.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.117 -1.225 . . . . 4.5499999999999998 109.937 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -47.69 106.3 0.58 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.975 . . . . 5.71 109.426 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.4 Cg_exo -60.77 146.39 97.45 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.027 1.818 . . . . 6.0899999999999999 110.283 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 118.042 -1.421 . . . . 7.2400000000000002 109.578 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 11.1 tttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.481 -0.563 . . . . 7.6699999999999999 109.481 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 5.2 mttt 59.53 -89.5 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.283 -0.885 . . . . 7.46 109.42 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 62.14 85.97 0.16 Allowed Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 6.79 109.6 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.21 -2.02 8.2 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.27 1.98 . . . . 5.1500000000000004 110.646 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.442 ' N ' HD21 ' B' ' 323' ' ' LEU . 7.8 mt -82.95 11.85 5.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.148 -0.97 . . . . 4.6600000000000001 109.812 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -78.16 -84.7 0.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.261 -0.899 . . . . 2.4700000000000002 110.018 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 134.94 28.3 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.987 -1.245 . . . . 1.0600000000000001 109.987 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.83 142.53 58.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.654 -0.91 . . . . 1.6100000000000001 109.6 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -95.86 155.26 16.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.191 -0.943 . . . . 0.96999999999999997 109.216 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 72.6 m-85 -139.29 -169.31 2.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 0.59999999999999998 109.851 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.8 p -153.28 160.86 42.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 1.1000000000000001 109.289 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' D' ' 342' ' ' ARG . 15.4 tp -149.17 132.44 16.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.906 . . . . 1.1000000000000001 109.669 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -85.77 129.01 34.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 1.3600000000000001 109.279 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.85 116.82 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.163 -0.96 . . . . 1.1699999999999999 109.788 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -74.07 152.46 39.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 2.79 109.407 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.66 137.96 6.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.758 -1.337 . . . . 0.47999999999999998 109.758 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.5 ttt-85 -82.69 -54.27 5.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.25 -1.147 . . . . 3.2200000000000002 109.452 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.21 -46.28 86.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 2.21 109.348 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.457 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -61.27 -43.49 98.78 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.331 -0.856 . . . . 3.5499999999999998 109.576 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 29.2 t80 -54.85 -57.41 11.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.352 -0.843 . . . . 0.52000000000000002 109.596 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.0 34.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.6799999999999999 109.701 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.87 -49.64 74.06 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.226 -0.921 . . . . 1.1499999999999999 109.997 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -60.91 -50.0 75.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.202 -0.936 . . . . 0.33000000000000002 109.208 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.62 -40.07 59.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 3.02 109.681 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -43.47 98.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.25 -0.906 . . . . 1.75 109.923 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.85 -43.38 98.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.446 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.381 -0.824 . . . . 1.21 109.645 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -32.2 72.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 1.6899999999999999 109.823 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.49 -50.64 72.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.143 -0.973 . . . . 1.0600000000000001 110.089 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.28 -44.05 97.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 1.0800000000000001 109.675 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.84 -36.52 74.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 1.9299999999999999 109.53 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 18.3 tp -64.75 -42.31 95.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 1.1399999999999999 109.56 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.0 ttmm -62.38 -43.0 99.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 2.1899999999999999 109.31 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.11 -35.95 67.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.444 -0.785 . . . . 1.4299999999999999 109.821 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.61 77.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.28 -0.888 . . . . 1.3100000000000001 109.809 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -5.71 58.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.936 . . . . 1.3999999999999999 109.788 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.76 -9.86 58.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.068 -1.02 . . . . 1.5700000000000001 109.467 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 14.23 52.24 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.656 -1.378 . . . . 1.53 109.656 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 30.4 tttt -86.73 19.32 2.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -1.175 . . . . 4.5800000000000001 109.875 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -47.62 106.22 0.57 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.922 . . . . 5.6799999999999997 109.511 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.4 Cg_exo -60.71 146.53 97.12 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.965 1.777 . . . . 6.0499999999999998 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.523 -1.431 . . . . 7.2000000000000002 109.523 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 11.0 tttt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.512 -0.551 . . . . 9.2200000000000006 109.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 5.3 mttt 59.57 -89.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.284 -0.885 . . . . 8.5099999999999998 109.463 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' C' ' 319' ' ' LYS . 21.7 mttt 62.01 85.97 0.16 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 7.4199999999999999 109.616 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.18 -1.95 8.06 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.187 1.925 . . . . 5.0499999999999998 110.699 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.436 ' N ' HD21 ' C' ' 323' ' ' LEU . 7.9 mt -83.03 11.91 5.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 5.1399999999999997 109.825 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -78.21 -84.59 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 2.8500000000000001 110.051 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 134.94 28.37 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 110.017 -1.233 . . . . 1.27 110.017 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.81 142.47 58.19 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.584 -0.951 . . . . 2.1099999999999999 109.614 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.449 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 6.0 m-85 -95.78 155.36 16.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 1.01 109.235 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 72.1 m-85 -139.39 -169.28 2.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.094 -1.004 . . . . 0.57999999999999996 109.879 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.8 p -153.21 160.98 42.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.38 -0.825 . . . . 1.1599999999999999 109.331 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.4 tp -149.26 132.41 16.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 1.1699999999999999 109.593 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 27.5 tt0 -85.8 129.0 34.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.329 -0.857 . . . . 1.8100000000000001 109.26 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.8 mt -123.81 116.72 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 1.1299999999999999 109.708 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 44.4 ttt180 -74.02 152.52 39.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 2.8199999999999998 109.449 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.59 138.0 6.72 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.731 -1.348 . . . . 0.45000000000000001 109.731 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.512 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 1.5 ttt-85 -82.73 -54.21 5.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -1.11 . . . . 3.0800000000000001 109.443 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.29 -46.2 86.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 2.54 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -43.53 98.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.334 -0.853 . . . . 4.1100000000000003 109.489 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 329' ' ' THR . 29.4 t80 -54.67 -57.51 11.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.369 -0.832 . . . . 0.56999999999999995 109.67 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.45 -34.03 33.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.722 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.96 -49.57 74.23 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.278 -0.889 . . . . 1.29 109.962 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -60.91 -50.02 75.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.169 -0.957 . . . . 0.40000000000000002 109.202 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.63 -40.07 59.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 3.8500000000000001 109.661 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -43.47 98.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.174 -0.954 . . . . 1.78 110.027 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.84 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 109.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.17 -49.38 77.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 1.2 109.615 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -32.13 72.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 109.86 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.6 72.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 1.0700000000000001 110.107 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.32 -44.04 97.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.676 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.74 -36.75 74.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 2.0899999999999999 109.495 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.69 -42.31 95.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.3799999999999999 109.474 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -62.38 -43.05 99.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.483 -0.761 . . . . 2.6800000000000002 109.234 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -56.01 -36.03 67.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.555 -0.716 . . . . 1.3400000000000001 109.848 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.4 76.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 1.3 109.904 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -5.76 58.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 1.8 109.807 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.76 -9.89 58.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 1.47 109.414 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 14.28 52.43 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.675 -1.37 . . . . 1.6599999999999999 109.675 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.454 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 30.3 tttt -86.66 19.26 2.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.075 -1.25 . . . . 4.7800000000000002 109.875 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -47.63 106.33 0.59 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.183 -0.948 . . . . 6.1900000000000004 109.371 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.3 Cg_exo -60.69 146.5 97.14 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.985 1.79 . . . . 6.1799999999999997 110.302 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.979 -1.456 . . . . 6.9000000000000004 109.589 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 11.0 tttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.45 -0.574 . . . . 7.6900000000000004 109.45 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 5.2 mttt 59.43 -89.45 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 7.4500000000000002 109.484 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 62.21 85.82 0.16 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 6.8399999999999999 109.627 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.2 -1.9 7.99 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.304 2.003 . . . . 5.1200000000000001 110.587 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.444 ' N ' HD21 ' D' ' 323' ' ' LEU . 7.9 mt -83.07 11.85 5.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.008 -1.058 . . . . 4.6600000000000001 109.749 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -78.24 -84.69 0.08 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.201 -0.937 . . . . 2.46 109.959 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.9 28.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.932 -1.267 . . . . 1.0800000000000001 109.932 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.78 142.51 58.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.606 -0.937 . . . . 1.6699999999999999 109.638 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.8 155.28 16.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 1.01 109.24 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.5 m-85 -139.34 -169.39 2.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.63 109.846 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.9 p -153.1 161.12 42.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 1.1299999999999999 109.333 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' B' ' 329' ' ' THR . 15.4 tp -149.33 132.38 16.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.223 -0.923 . . . . 1.1000000000000001 109.636 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -85.73 129.03 34.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.3700000000000001 109.241 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.0 mt -123.9 116.8 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.169 -0.957 . . . . 1.1499999999999999 109.68 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -74.03 152.48 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.77 109.506 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 138.02 6.78 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.756 -1.338 . . . . 0.42999999999999999 109.756 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.5 ttt-85 -82.71 -54.25 5.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -1.123 . . . . 3.1200000000000001 109.504 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.2 -46.45 85.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.841 . . . . 2.2200000000000002 109.347 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -43.52 98.74 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.291 -0.881 . . . . 3.5 109.482 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 29.3 t80 -54.71 -57.44 11.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 0.5 109.618 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.08 34.81 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 1.6899999999999999 109.732 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.74 -49.79 73.62 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.349 -0.844 . . . . 1.1399999999999999 109.927 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -60.73 -50.06 74.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 0.32000000000000001 109.273 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.434 ' HA ' HD23 ' B' ' 330' ' ' LEU . 35.1 ttp180 -51.7 -40.01 59.34 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.375 -0.828 . . . . 2.96 109.707 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -43.46 98.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 1.75 109.944 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.79 -43.5 98.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 1.0800000000000001 109.353 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.27 -49.28 77.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.264 -0.897 . . . . 1.22 109.567 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -32.1 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.73 109.824 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.42 -50.7 72.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 110.083 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.457 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 38.0 mt -61.27 -44.11 97.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 1.1100000000000001 109.649 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.83 -36.55 74.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.9099999999999999 109.601 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 18.3 tp -64.66 -42.4 95.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.557 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.41 -43.04 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.283 -0.886 . . . . 2.1499999999999999 109.231 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.04 -36.02 67.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.527 -0.733 . . . . 1.4399999999999999 109.802 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.47 77.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -0.848 . . . . 1.3 109.874 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.23 -5.81 58.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.3999999999999999 109.837 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.68 -9.76 58.76 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.101 -1.0 . . . . 1.6000000000000001 109.55 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 14.36 52.37 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.618 -1.393 . . . . 1.5 109.618 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.459 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 30.4 tttt -86.75 19.29 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -1.148 . . . . 4.5499999999999998 109.781 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -47.75 106.33 0.59 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 5.6699999999999999 109.442 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.4 Cg_exo -60.67 146.49 97.09 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.017 1.812 . . . . 6.1200000000000001 110.247 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.543 -1.423 . . . . 7.2699999999999996 109.543 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.54 -0.541 . . . . 7.6600000000000001 109.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.46 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 7.5099999999999998 109.51 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 23.5 mttt 58.18 64.5 3.71 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 6.8099999999999996 109.364 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.7 Cg_endo -61.17 136.16 63.01 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.119 1.879 . . . . 5.1500000000000004 110.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 4.2 mm? -85.36 34.36 0.57 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.291 -0.881 . . . . 4.7000000000000002 110.014 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -75.9 177.42 7.0 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.389 -0.819 . . . . 2.48 109.863 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 170.82 39.11 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.844 -1.303 . . . . 1.0800000000000001 109.844 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.98 150.56 24.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.385 -1.068 . . . . 1.7 109.708 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 19.3 m-85 -94.3 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 1.04 109.205 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -139.54 -162.74 1.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.496 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 1.2 p -153.93 161.7 41.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.115 -0.991 . . . . 1.1399999999999999 109.647 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' C' ' 329' ' ' THR . 19.0 tp -149.3 134.24 18.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.231 -0.918 . . . . 1.0900000000000001 109.329 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -86.64 134.48 33.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 1.3700000000000001 109.903 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 36.0 mt -123.73 118.97 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.173 -0.954 . . . . 1.1499999999999999 109.192 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 143.85 45.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.191 -0.943 . . . . 2.79 110.194 -179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.447 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 142.21 7.98 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.085 -1.206 . . . . 0.45000000000000001 110.085 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.8 ttt180 -82.23 -51.28 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -1.052 . . . . 3.1600000000000001 109.322 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.78 -44.65 90.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.323 -0.861 . . . . 2.2200000000000002 109.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.437 ' NH1' HD12 ' C' ' 348' ' ' LEU . 7.0 tpp180 -62.73 -41.03 98.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.336 -0.853 . . . . 3.54 109.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.23 -48.68 76.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -0.773 . . . . 0.5 109.453 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.17 -37.33 54.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.26 -0.9 . . . . 1.6599999999999999 109.907 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.18 -49.34 76.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.201 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.88 -53.52 56.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.34000000000000002 109.36 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -50.14 -37.03 32.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 2.9399999999999999 109.612 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.86 -48.95 79.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.17 -0.956 . . . . 1.74 109.506 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.17 -34.59 75.28 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 108.838 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.94 -55.18 38.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.583 -0.698 . . . . 1.22 109.486 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.37 -28.99 70.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 1.72 109.851 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.5 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.934 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.432 HD12 ' NH1' ' C' ' 337' ' ' ARG . 62.8 mt -60.82 -45.0 96.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 1.0800000000000001 109.693 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.53 -33.42 71.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -0.931 . . . . 1.9099999999999999 109.397 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.44 -42.11 92.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.36 -0.837 . . . . 1.1499999999999999 109.29 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.9 OUTLIER -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.491 -0.755 . . . . 2.1400000000000001 109.235 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -32.84 67.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.669 -0.644 . . . . 1.4299999999999999 109.838 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.61 86.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 1.3 109.938 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -81.95 -4.3 56.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 1.4199999999999999 109.838 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.96 61.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 1.5800000000000001 109.501 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.19 35.24 3.31 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.939 -1.264 . . . . 1.54 109.939 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.64 15.37 6.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.052 -1.263 . . . . 4.5499999999999998 109.781 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.1 162.72 0.47 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.191 -0.943 . . . . 5.71 109.492 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.04 149.17 90.38 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.243 1.962 . . . . 6.0899999999999999 110.343 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.002 -1.443 . . . . 7.2400000000000002 109.561 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.475 -0.565 . . . . 7.6699999999999999 109.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.54 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 7.46 109.433 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 23.5 mttt 58.08 64.53 3.75 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 6.79 109.358 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.7 Cg_endo -61.18 136.06 62.32 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.21 1.94 . . . . 5.1500000000000004 110.33 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 4.2 mm? -85.21 34.24 0.56 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.407 -0.808 . . . . 4.6600000000000001 109.958 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -76.0 177.15 7.28 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.308 -0.87 . . . . 2.4700000000000002 109.876 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 170.76 37.48 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.929 -1.269 . . . . 1.0600000000000001 109.929 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.04 150.55 24.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.46 -1.024 . . . . 1.6100000000000001 109.726 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 19.1 m-85 -94.25 158.83 15.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.96999999999999997 109.273 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.5 m-85 -139.58 -162.8 1.38 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.59999999999999998 109.562 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 1.2 p -153.82 161.87 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.951 . . . . 1.1000000000000001 109.622 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.2 tp -149.47 134.24 17.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 1.1000000000000001 109.337 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.53 134.59 33.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 1.3600000000000001 109.938 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 36.0 mt -123.86 118.74 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.226 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.481 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.56 143.85 46.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 2.79 110.285 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.24 142.19 8.06 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.017 -1.233 . . . . 0.47999999999999998 110.017 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.2 8.16 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -1.13 . . . . 3.2200000000000002 109.419 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.89 -44.73 91.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.297 -0.877 . . . . 2.21 109.46 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -41.25 98.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.275 -0.891 . . . . 3.5499999999999998 109.184 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -56.21 -48.69 75.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.534 -0.729 . . . . 0.52000000000000002 109.502 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.03 -37.32 53.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 1.6799999999999999 109.997 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.23 -49.39 75.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.253 -0.904 . . . . 1.1499999999999999 110.158 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.73 -53.5 56.59 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.242 -0.911 . . . . 0.33000000000000002 109.456 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -50.19 -36.99 32.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 3.02 109.557 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.83 -49.04 79.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.75 109.469 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.27 -34.49 75.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 108.846 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -58.95 -55.21 38.12 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.48 -0.762 . . . . 1.21 109.496 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.36 -28.9 70.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.6899999999999999 109.851 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.3 -54.52 39.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.0600000000000001 109.978 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.46 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 62.6 mt -60.81 -44.94 96.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 1.0800000000000001 109.715 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.64 -33.22 71.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 1.9299999999999999 109.37 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 6.5 tp -65.43 -42.29 92.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.1399999999999999 109.242 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -50.97 68.7 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.682 0.754 . . . . 2.1899999999999999 109.271 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -32.89 67.31 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.633 -0.667 . . . . 1.4299999999999999 109.858 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.63 86.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.313 -0.867 . . . . 1.3100000000000001 109.947 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -81.94 -4.26 56.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 1.3999999999999999 109.895 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.5 -21.85 61.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 1.5700000000000001 109.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.07 35.23 3.29 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.907 -1.277 . . . . 1.53 109.907 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.73 15.38 7.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.116 -1.226 . . . . 4.5800000000000001 109.777 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.14 162.83 0.47 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 5.6799999999999997 109.598 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.2 149.34 89.75 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.236 1.957 . . . . 6.0499999999999998 110.234 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.995 -1.447 . . . . 7.2000000000000002 109.534 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.438 -0.578 . . . . 9.2200000000000006 109.438 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.35 -0.844 . . . . 8.5099999999999998 109.497 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 23.5 mttt 58.16 64.54 3.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 7.4199999999999999 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.7 Cg_endo -61.27 136.12 62.36 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.16 1.907 . . . . 5.0499999999999998 110.295 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 4.2 mm? -85.21 34.18 0.56 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 5.1399999999999997 109.96 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.92 177.19 7.19 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.264 -0.897 . . . . 2.8500000000000001 109.891 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.35 170.77 37.86 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.906 -1.278 . . . . 1.27 109.906 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.98 150.57 24.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.073 . . . . 2.1099999999999999 109.746 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 19.9 m-85 -94.31 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.214 -0.929 . . . . 1.01 109.157 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.5 m-85 -139.55 -162.85 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.57999999999999996 109.538 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 1.2 p -153.84 161.71 41.83 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.213 -0.93 . . . . 1.1599999999999999 109.67 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' ' 329' ' ' THR . 18.8 tp -149.23 134.27 18.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 1.1699999999999999 109.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -86.58 134.58 33.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.8100000000000001 109.959 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 36.4 mt -123.79 119.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.843 . . . . 1.1299999999999999 109.14 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.79 143.87 45.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.905 . . . . 2.8199999999999998 110.236 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.447 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.23 142.17 8.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.001 -1.24 . . . . 0.45000000000000001 110.001 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.21 8.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -1.047 . . . . 3.0800000000000001 109.358 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.86 -44.61 91.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.366 -0.833 . . . . 2.54 109.551 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.432 ' NH1' HD12 ' A' ' 348' ' ' LEU . 7.0 tpp180 -62.59 -41.23 98.83 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 4.1100000000000003 109.097 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -56.21 -48.68 75.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.56999999999999995 109.473 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.19 -37.2 54.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.397 -0.814 . . . . 1.6599999999999999 109.935 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.23 -49.3 76.28 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.27 -0.894 . . . . 1.29 110.229 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -60.96 -53.55 55.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.256 -0.902 . . . . 0.40000000000000002 109.346 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.01 -37.11 31.35 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.451 -0.78 . . . . 3.8500000000000001 109.606 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 1.78 109.56 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.21 -34.62 75.39 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 108.779 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -58.81 -55.27 37.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.4 -0.813 . . . . 1.2 109.615 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.3 -29.01 70.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 2.1200000000000001 109.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.38 41.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 110.042 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.437 HD12 ' NH1' ' A' ' 337' ' ' ARG . 62.1 mt -60.84 -44.98 96.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 109.719 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.55 -33.37 71.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 2.0899999999999999 109.465 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.37 -42.18 93.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.361 -0.837 . . . . 1.3799999999999999 109.274 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.19 -50.86 68.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.511 -0.743 . . . . 2.6800000000000002 109.234 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -32.74 67.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.676 -0.64 . . . . 1.3400000000000001 109.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.6 85.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.297 -0.877 . . . . 1.3 109.892 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -81.9 -4.31 56.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.8 109.921 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.97 61.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.083 -1.01 . . . . 1.47 109.522 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 35.22 3.3 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.916 -1.274 . . . . 1.6599999999999999 109.916 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.64 15.39 6.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.286 . . . . 4.7800000000000002 109.749 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.14 162.77 0.47 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.173 -0.954 . . . . 6.1900000000000004 109.513 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.09 149.18 90.37 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.286 1.991 . . . . 6.1799999999999997 110.319 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.939 -1.478 . . . . 6.9000000000000004 109.514 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.5 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.464 -0.569 . . . . 7.6900000000000004 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.72 107.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 7.4500000000000002 109.429 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 23.4 mttt 58.11 64.53 3.73 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.258 -0.901 . . . . 6.8399999999999999 109.377 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.7 Cg_endo -61.25 136.11 62.38 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.146 1.897 . . . . 5.1200000000000001 110.397 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' D' ' 323' ' ' LEU . 4.2 mm? -85.31 34.42 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 4.6600000000000001 109.975 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -76.05 177.32 7.18 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.291 -0.88 . . . . 2.46 109.888 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 170.8 38.42 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.803 -1.319 . . . . 1.0800000000000001 109.803 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.98 150.56 24.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -1.075 . . . . 1.6699999999999999 109.749 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.481 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 19.4 m-85 -94.26 159.04 15.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.01 109.214 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.5 m-85 -139.8 -162.85 1.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.201 -0.937 . . . . 0.63 109.449 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 1.2 p -153.85 161.86 41.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.15 -0.969 . . . . 1.1299999999999999 109.64 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.0 tp -149.38 134.21 17.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.416 -0.803 . . . . 1.1000000000000001 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.6 134.69 33.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 1.3700000000000001 109.926 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 36.6 mt -123.93 119.05 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.1499999999999999 109.068 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 143.81 45.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 2.77 110.161 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.22 142.21 8.06 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.976 -1.25 . . . . 0.42999999999999999 109.976 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.8 ttt180 -82.24 -51.15 8.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.357 -1.084 . . . . 3.1200000000000001 109.408 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.88 -44.62 91.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.83 . . . . 2.2200000000000002 109.435 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.46 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.61 -41.2 98.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.3 -0.875 . . . . 3.5 109.186 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -56.23 -48.71 75.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.351 -0.843 . . . . 0.5 109.452 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.06 -37.33 53.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.394 -0.816 . . . . 1.6899999999999999 109.948 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.27 -49.45 75.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.935 . . . . 1.1399999999999999 110.105 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -60.75 -53.56 55.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.32000000000000001 109.443 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.05 -37.1 31.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.358 -0.839 . . . . 2.96 109.608 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.77 -49.0 79.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.131 -0.981 . . . . 1.75 109.602 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.26 -34.45 75.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 108.779 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -58.81 -55.34 36.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.843 . . . . 1.22 109.574 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.23 -29.05 70.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.73 109.834 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.38 41.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 109.948 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.477 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 62.1 mt -60.8 -44.86 96.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 1.1100000000000001 109.83 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.57 -33.45 71.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.108 -0.995 . . . . 1.9099999999999999 109.359 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.39 -42.19 92.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 1.1699999999999999 109.228 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -51.04 68.24 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.546 -0.721 . . . . 2.1499999999999999 109.263 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -32.86 67.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.688 -0.632 . . . . 1.4399999999999999 109.874 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.67 86.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.3 109.898 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -81.94 -4.33 56.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.3999999999999999 109.865 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.44 -21.84 61.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.082 -1.011 . . . . 1.6000000000000001 109.536 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.23 35.28 3.31 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.935 -1.266 . . . . 1.5 109.935 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.73 15.47 6.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.025 -1.28 . . . . 4.5499999999999998 109.725 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.16 162.79 0.47 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 5.6699999999999999 109.435 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.22 149.2 90.44 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.23 1.953 . . . . 6.1200000000000001 110.273 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.935 -1.48 . . . . 7.2699999999999996 109.592 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 31.0 mttt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.293 0.568 . . . . 7.6600000000000001 109.533 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 319' ' ' LYS . 4.2 pttt 41.85 38.49 1.01 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 7.5099999999999998 109.832 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.3 OUTLIER 63.94 132.47 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.295 -0.878 . . . . 6.8099999999999996 109.308 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.32 -82.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.927 1.751 . . . . 5.1500000000000004 110.325 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' A' ' 327' ' ' TYR . 30.5 mt -83.05 110.45 18.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.215 -0.928 . . . . 4.7000000000000002 109.782 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -93.46 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 2.48 109.118 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.56 168.6 45.84 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.386 -1.486 . . . . 1.0800000000000001 109.386 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.19 128.7 38.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.127 -1.219 . . . . 1.7 109.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 13.5 m-85 -94.76 157.95 15.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 1.04 109.477 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 65.3 m-85 -139.84 -169.18 2.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.241 -0.912 . . . . 0.65000000000000002 109.43 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.5 p -153.44 159.78 42.43 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.178 -0.951 . . . . 1.1399999999999999 109.658 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -148.44 132.12 16.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 1.0900000000000001 109.347 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.26 128.25 34.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 1.3700000000000001 109.469 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.1 mt -123.91 115.42 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 1.1499999999999999 109.203 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.489 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.8 OUTLIER -73.0 153.18 41.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 2.79 109.665 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 87.28 128.47 2.62 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.698 -1.361 . . . . 0.45000000000000001 109.698 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.84 14.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.348 -1.089 . . . . 3.1600000000000001 109.549 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.44 -48.32 81.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.368 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.27 96.34 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.356 -0.84 . . . . 3.54 109.624 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.3 t80 -54.46 -56.33 19.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 0.5 109.506 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.33 -34.57 34.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 109.79 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.2 -50.47 70.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.308 -0.87 . . . . 1.1499999999999999 109.99 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.63 -49.43 77.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.34000000000000002 109.221 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -50.94 -39.66 55.39 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 2.9399999999999999 109.462 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.57 -42.1 98.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.353 -0.842 . . . . 1.74 109.753 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.11 -46.23 89.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 109.593 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -57.58 -46.12 84.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.22 109.486 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.39 -33.03 73.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 1.72 109.517 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.45 -52.92 63.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 109.624 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.42 -40.94 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 1.0800000000000001 109.358 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.12 -35.26 73.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.185 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.24 -41.06 97.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.483 -0.76 . . . . 1.1499999999999999 109.112 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -52.11 65.3 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.48 -0.763 . . . . 2.1400000000000001 109.004 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.4 ' HA ' ' HB1' ' A' ' 355' ' ' ALA . 0.7 OUTLIER -56.23 -29.4 60.95 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.584 -0.697 . . . . 1.4299999999999999 109.631 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.5 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.284 -0.885 . . . . 1.3 109.476 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.34 -14.02 53.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.28 -0.888 . . . . 1.4199999999999999 109.326 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 352' ' ' ASP . . . -73.34 -8.92 57.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.183 -0.948 . . . . 1.5800000000000001 109.606 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 -10.99 76.12 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.744 -1.343 . . . . 1.54 109.744 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 103.81 15.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -1.181 . . . . 4.5499999999999998 109.448 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.15 147.73 6.88 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 5.71 109.378 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.63 127.61 23.21 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.151 1.901 . . . . 6.0899999999999999 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 117.985 -1.453 . . . . 7.2400000000000002 109.496 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 320' ' ' LYS . 31.1 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.426 -0.583 . . . . 7.6699999999999999 109.426 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 4.2 pttt 41.86 38.55 1.03 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.461 -0.774 . . . . 7.46 109.79 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.3 OUTLIER 63.81 132.51 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.318 -0.864 . . . . 6.79 109.274 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.31 -82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.918 1.746 . . . . 5.1500000000000004 110.279 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.05 110.44 17.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 4.6600000000000001 109.803 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.45 -93.19 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 2.4700000000000002 109.223 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.82 168.61 46.61 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.303 -1.519 . . . . 1.0600000000000001 109.303 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.27 128.85 39.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.267 . . . . 1.6100000000000001 109.384 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 13.7 m-85 -94.9 157.83 15.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.188 -0.945 . . . . 0.96999999999999997 109.56 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 65.3 m-85 -139.67 -169.11 2.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.313 -0.867 . . . . 0.59999999999999998 109.42 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.413 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.9 p -153.49 159.97 42.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.25 -0.906 . . . . 1.1000000000000001 109.588 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.9 tp -148.7 131.89 16.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.359 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -86.02 128.19 34.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.838 . . . . 1.3600000000000001 109.48 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.8 mt -123.84 115.49 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.932 . . . . 1.1699999999999999 109.211 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.8 OUTLIER -73.02 153.15 41.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.218 -0.926 . . . . 2.79 109.646 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 87.19 128.2 2.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.712 -1.355 . . . . 0.47999999999999998 109.712 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 20.6 ttt180 -75.01 -50.99 14.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.164 -1.198 . . . . 3.2200000000000002 109.486 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.41 -48.33 81.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.145 -0.972 . . . . 2.21 109.354 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.29 96.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.257 -0.902 . . . . 3.5499999999999998 109.568 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.2 t80 -54.55 -56.26 20.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.38 -0.825 . . . . 0.52000000000000002 109.554 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -51.27 -34.57 33.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 1.6799999999999999 109.927 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.08 -50.6 69.91 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.222 -0.924 . . . . 1.1499999999999999 110.023 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.68 -49.35 77.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.33000000000000002 109.21 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.02 -39.63 56.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.422 -0.799 . . . . 3.02 109.402 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.51 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 1.75 109.79 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.26 -46.18 89.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.498 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.55 -46.14 84.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 1.21 109.454 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.271 -0.893 . . . . 1.6899999999999999 109.507 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.37 -52.94 63.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 1.0600000000000001 109.727 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.35 -41.01 96.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 1.0800000000000001 109.383 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.18 72.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.975 . . . . 1.9299999999999999 109.265 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.35 -40.99 96.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 1.1399999999999999 109.095 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.04 -51.84 66.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.751 0.786 . . . . 2.1899999999999999 108.976 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -29.48 61.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.575 -0.703 . . . . 1.4299999999999999 109.547 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.64 95.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 1.3100000000000001 109.556 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -14.03 54.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 1.3999999999999999 109.353 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.34 -8.96 58.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 1.5700000000000001 109.555 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -10.87 76.47 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 103.82 16.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -1.164 . . . . 4.5800000000000001 109.309 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -50.14 147.63 6.97 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 109.419 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.58 127.7 23.55 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.112 1.875 . . . . 6.0499999999999998 110.232 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 CA-C-O 118.01 -1.439 . . . . 7.2000000000000002 109.58 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' C' ' 320' ' ' LYS . 30.9 mttt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.218 0.532 . . . . 9.2200000000000006 109.571 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' C' ' 319' ' ' LYS . 4.2 pttt 41.93 38.43 1.03 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.544 -0.722 . . . . 8.5099999999999998 109.852 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.3 OUTLIER 63.93 132.44 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.289 -0.882 . . . . 7.4199999999999999 109.295 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.31 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.843 1.696 . . . . 5.0499999999999998 110.322 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.405 HD21 ' CZ ' ' C' ' 327' ' ' TYR . 30.7 mt -83.07 110.33 17.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 5.1399999999999997 109.698 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.35 -93.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 2.8500000000000001 109.232 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.78 168.56 46.56 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.328 -1.509 . . . . 1.27 109.328 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.06 128.78 38.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -1.197 . . . . 2.1099999999999999 109.52 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 13.5 m-85 -94.79 157.8 15.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 1.01 109.546 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.8 m-85 -139.77 -169.1 2.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.57999999999999996 109.391 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.1 p -153.47 160.1 42.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 1.1599999999999999 109.563 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.8 tp -148.79 132.08 16.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 1.1699999999999999 109.256 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -86.2 128.21 34.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 1.8100000000000001 109.44 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 51.6 mt -123.83 115.44 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 1.1299999999999999 109.339 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.497 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.8 OUTLIER -72.96 153.31 41.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 2.8199999999999998 109.594 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 87.08 128.48 2.55 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.624 -1.391 . . . . 0.45000000000000001 109.624 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 20.7 ttt180 -75.33 -50.91 14.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.166 -1.196 . . . . 3.0800000000000001 109.478 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.28 -48.58 80.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.937 . . . . 2.54 109.382 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.93 -41.33 95.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.309 -0.869 . . . . 4.1100000000000003 109.597 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.3 t80 -54.4 -56.29 20.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.365 -0.834 . . . . 0.56999999999999995 109.58 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.43 -34.5 35.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.6599999999999999 109.892 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.06 -50.56 70.14 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.104 -0.997 . . . . 1.29 110.039 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.72 -49.34 77.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.925 . . . . 0.40000000000000002 109.212 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.09 -39.59 56.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.817 . . . . 3.8500000000000001 109.401 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.47 -42.24 98.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.211 -0.93 . . . . 1.78 109.667 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.17 -46.21 89.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.268 -0.895 . . . . 1.1699999999999999 109.535 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.63 -46.12 84.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 1.2 109.418 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.33 -33.03 73.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.306 -0.871 . . . . 2.1200000000000001 109.613 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.84 63.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.367 -0.833 . . . . 1.0700000000000001 109.694 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.3 -41.09 96.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 1.1399999999999999 109.371 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.07 -35.26 73.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 2.0899999999999999 109.141 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.25 -41.06 97.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 1.3799999999999999 109.032 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -52.01 65.66 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.92 -0.771 . . . . 2.6800000000000002 108.92 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -29.49 61.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.674 -0.641 . . . . 1.3400000000000001 109.628 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.36 94.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 1.3 109.555 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -14.0 53.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 1.8 109.286 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.32 -8.89 57.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.184 -0.948 . . . . 1.47 109.66 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -10.91 76.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.729 -1.349 . . . . 1.6599999999999999 109.729 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 103.95 16.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.281 -1.129 . . . . 4.7800000000000002 109.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -50.28 147.7 7.18 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.286 -0.884 . . . . 6.1900000000000004 109.327 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.69 127.74 23.54 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.053 1.835 . . . . 6.1799999999999997 110.206 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.982 -1.454 . . . . 6.9000000000000004 109.525 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' D' ' 320' ' ' LYS . 31.0 mttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.255 0.55 . . . . 7.6900000000000004 109.518 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' D' ' 319' ' ' LYS . 4.2 pttt 41.78 38.52 0.99 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.447 -0.783 . . . . 7.4500000000000002 109.83 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.3 OUTLIER 63.83 132.48 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 6.8399999999999999 109.279 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.3 -82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 121.874 1.716 . . . . 5.1200000000000001 110.285 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.2 mt -83.0 110.5 18.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 4.6600000000000001 109.743 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.5 -93.39 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 2.46 109.115 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.55 168.76 45.6 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.302 -1.519 . . . . 1.0800000000000001 109.302 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.37 128.86 39.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.139 -1.212 . . . . 1.6699999999999999 109.533 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 13.7 m-85 -94.9 157.75 15.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.226 -0.921 . . . . 1.01 109.566 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.8 m-85 -139.61 -169.09 2.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.362 -0.836 . . . . 0.63 109.408 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 63.8 p -153.49 159.86 42.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 1.1299999999999999 109.61 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.9 tp -148.56 132.11 16.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 1.1000000000000001 109.342 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.28 128.11 34.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 1.3700000000000001 109.523 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 51.0 mt -123.69 115.41 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.336 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.8 OUTLIER -73.13 153.24 40.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.874 . . . . 2.77 109.55 -179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 87.31 128.45 2.63 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.666 -1.374 . . . . 0.42999999999999999 109.666 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.85 14.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -1.118 . . . . 3.1200000000000001 109.533 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -48.19 81.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.4 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.365 -0.834 . . . . 3.5 109.513 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -54.45 -56.26 20.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.5 109.522 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.48 -34.52 36.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 1.6899999999999999 109.799 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.02 -50.52 70.38 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 110.068 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.75 -49.26 78.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.957 . . . . 0.32000000000000001 109.187 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.13 -39.67 56.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.402 -0.811 . . . . 2.96 109.355 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.43 -42.18 98.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 1.75 109.801 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.22 -46.21 89.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 109.507 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.52 -46.23 84.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.36 -0.838 . . . . 1.22 109.414 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.29 -33.14 74.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.408 -0.808 . . . . 1.73 109.597 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.43 -52.83 63.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.837 . . . . 1.0700000000000001 109.663 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.47 -40.92 96.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 1.1100000000000001 109.35 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 1.9099999999999999 109.203 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.26 -40.99 97.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.298 -0.876 . . . . 1.1699999999999999 109.08 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -51.93 65.87 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.93 -0.767 . . . . 2.1499999999999999 108.93 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.38 61.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.621 -0.675 . . . . 1.4399999999999999 109.645 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.5 95.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 1.3 109.558 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -14.07 53.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.356 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.41 -8.83 57.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.6000000000000001 109.547 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -10.92 76.18 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.677 -1.369 . . . . 1.5 109.677 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 103.95 16.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.233 -1.157 . . . . 4.5499999999999998 109.294 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.27 147.68 7.18 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 5.6699999999999999 109.325 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.63 127.7 23.49 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.092 1.861 . . . . 6.1200000000000001 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.022 -1.432 . . . . 7.2699999999999996 109.529 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.443 -0.577 . . . . 7.6600000000000001 109.443 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.79 -119.56 0.93 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.151 -0.968 . . . . 7.5099999999999998 109.453 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.54 91.46 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.768 -1.208 . . . . 6.8099999999999996 109.247 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -58.93 171.13 2.28 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.178 1.919 . . . . 5.1500000000000004 110.44 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.98 149.13 30.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 4.7000000000000002 109.562 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -82.03 13.93 3.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.255 -0.903 . . . . 2.48 110.081 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.36 137.52 35.31 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.695 -1.362 . . . . 1.0800000000000001 109.695 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.31 129.39 41.01 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.554 -0.968 . . . . 1.7 109.921 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -94.95 155.68 16.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 1.04 109.041 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.0 m-85 -140.2 -170.42 2.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.977 -1.077 . . . . 0.65000000000000002 110.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -152.75 159.44 43.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.307 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -148.47 136.92 21.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 1.0900000000000001 109.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 128.72 35.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.311 -0.868 . . . . 1.3700000000000001 109.191 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.453 HG22 ' CD2' ' A' ' 341' ' ' PHE . 47.6 mt -123.97 115.52 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.012 -1.055 . . . . 1.1499999999999999 109.558 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 153.0 40.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.299 -0.876 . . . . 2.79 109.679 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.87 7.05 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.835 -1.306 . . . . 0.45000000000000001 109.835 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.1 ttp180 -81.01 -58.53 3.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -1.113 . . . . 3.1600000000000001 109.437 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.21 -42.88 87.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.304 -0.872 . . . . 2.2200000000000002 109.345 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.5 -42.73 96.93 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.357 -0.839 . . . . 3.54 109.294 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.2 t80 -55.4 -56.79 16.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.5 109.728 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.98 -34.26 28.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.819 . . . . 1.6599999999999999 110.08 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.31 -48.24 78.88 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.144 -0.972 . . . . 1.1499999999999999 110.004 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD2' HG22 ' A' ' 332' ' ' ILE . 22.7 m-85 -61.18 -50.35 73.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.169 -0.957 . . . . 0.34000000000000002 109.377 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.22 -40.84 59.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.899 . . . . 2.9399999999999999 109.692 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.66 98.48 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 1.74 109.983 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.2 -42.79 99.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 1.0700000000000001 109.383 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.91 -50.54 72.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.88 . . . . 1.22 109.65 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.282 -0.886 . . . . 1.72 109.887 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 110.02 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.38 -44.47 97.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 1.0800000000000001 109.757 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.95 -36.42 74.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.9099999999999999 109.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.55 -41.92 96.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 1.1499999999999999 109.544 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.43 -44.52 96.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.272 -0.893 . . . . 2.1400000000000001 109.047 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.98 -33.07 64.48 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.456 -0.777 . . . . 1.4299999999999999 109.559 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.04 85.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 1.3 109.544 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.89 -4.93 57.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 1.4199999999999999 109.592 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.07 68.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 1.5800000000000001 109.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 56.11 4.84 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.432 -1.467 . . . . 1.54 109.432 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.85 108.47 18.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -1.205 . . . . 4.5499999999999998 109.637 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.537 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -51.25 -56.83 17.03 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.148 -0.97 . . . . 5.71 109.658 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.4 Cg_endo -61.35 140.43 88.11 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 121.845 1.696 . . . . 6.0899999999999999 110.118 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 118.018 -1.435 . . . . 7.2400000000000002 109.582 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.595 -0.52 . . . . 7.6699999999999999 109.595 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -119.57 0.93 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.835 . . . . 7.46 109.473 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.6 91.43 0.08 OUTLIER Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.877 -1.139 . . . . 6.79 109.296 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -59.04 171.17 2.32 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.17 1.913 . . . . 5.1500000000000004 110.472 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 27.2 mt -80.03 149.19 30.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -0.842 . . . . 4.6600000000000001 109.458 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -81.97 13.17 3.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.318 -0.864 . . . . 2.4700000000000002 110.043 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.28 137.36 37.74 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.778 -1.329 . . . . 1.0600000000000001 109.778 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.46 129.49 41.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.619 -0.93 . . . . 1.6100000000000001 109.964 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.96 155.63 16.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.894 . . . . 0.96999999999999997 109.099 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.1 m-85 -140.12 -170.47 2.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.013 -1.055 . . . . 0.59999999999999998 109.996 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 66.9 p -152.72 159.55 43.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.795 . . . . 1.1000000000000001 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.5 tp -148.57 136.82 21.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.048 -1.032 . . . . 1.1000000000000001 109.693 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.49 128.7 34.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.897 . . . . 1.3600000000000001 109.31 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' B' ' 341' ' ' PHE . 47.0 mt -123.9 115.54 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.997 . . . . 1.1699999999999999 109.517 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 153.0 40.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 2.79 109.659 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.96 7.06 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.827 -1.309 . . . . 0.47999999999999998 109.827 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.2 ttp180 -81.01 -58.62 3.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 3.2200000000000002 109.374 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.1 -42.95 86.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.36 -0.837 . . . . 2.21 109.358 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.42 -42.8 96.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.349 -0.845 . . . . 3.5499999999999998 109.391 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.3 t80 -55.33 -56.8 15.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.466 -0.771 . . . . 0.52000000000000002 109.711 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.05 -34.3 29.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.6799999999999999 109.934 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.36 -48.17 79.06 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.104 -0.998 . . . . 1.1499999999999999 110.033 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.45 ' CD2' HG22 ' B' ' 332' ' ' ILE . 22.8 m-85 -61.21 -50.51 72.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.33000000000000002 109.247 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.07 -40.83 59.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.375 -0.828 . . . . 3.02 109.749 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.82 -42.76 98.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 1.75 109.976 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 55.8 mt -62.17 -42.73 99.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.984 . . . . 1.0700000000000001 109.487 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.92 -50.48 73.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.456 -0.777 . . . . 1.21 109.715 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.09 -32.47 73.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.35 -0.843 . . . . 1.6899999999999999 109.865 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.76 76.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 1.0600000000000001 109.998 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.41 -44.6 96.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.832 . . . . 1.0800000000000001 109.692 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.5 74.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 1.9299999999999999 109.633 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.35 -42.11 96.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 1.1399999999999999 109.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.27 -44.6 96.97 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 2.1899999999999999 109.092 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.03 -33.03 64.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.504 -0.747 . . . . 1.4299999999999999 109.531 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.17 86.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 1.3100000000000001 109.465 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.84 -4.93 57.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 1.3999999999999999 109.577 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.92 67.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.5700000000000001 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 55.98 4.84 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.519 -1.433 . . . . 1.53 109.519 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.69 108.51 18.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.161 -1.199 . . . . 4.5800000000000001 109.729 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.533 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -51.13 -56.85 16.61 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.179 -0.95 . . . . 5.6799999999999997 109.679 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 2.4 Cg_endo -61.46 140.53 88.03 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.858 1.705 . . . . 6.0499999999999998 110.095 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.99 -1.45 . . . . 7.2000000000000002 109.505 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 46.6 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.416 -0.587 . . . . 9.2200000000000006 109.416 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.84 -119.55 0.93 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.36 -0.838 . . . . 8.5099999999999998 109.455 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.56 91.45 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.887 -1.133 . . . . 7.4199999999999999 109.351 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -59.07 171.2 2.34 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.276 1.984 . . . . 5.0499999999999998 110.414 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.0 mt -80.08 149.17 30.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 5.1399999999999997 109.479 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -81.97 13.6 3.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 2.8500000000000001 110.115 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.01 137.48 36.13 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.711 -1.355 . . . . 1.27 109.711 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.32 129.42 41.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.627 -0.925 . . . . 2.1099999999999999 109.999 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.02 155.57 16.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.01 109.033 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -140.1 -170.39 2.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.57999999999999996 110.051 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.2 p -152.75 159.46 43.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.37 -0.831 . . . . 1.1599999999999999 109.266 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.5 tp -148.55 136.81 21.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 1.1699999999999999 109.646 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 128.63 34.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.8100000000000001 109.299 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.445 HG22 ' CD2' ' C' ' 341' ' ' PHE . 47.4 mt -123.8 115.65 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.096 -1.002 . . . . 1.1299999999999999 109.527 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 152.98 40.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.835 . . . . 2.8199999999999998 109.643 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 137.85 7.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.842 -1.303 . . . . 0.45000000000000001 109.842 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.55 3.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 3.0800000000000001 109.387 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -42.89 87.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 2.54 109.348 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.4 -42.76 96.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.312 -0.868 . . . . 4.1100000000000003 109.4 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.6 t80 -55.34 -56.86 15.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.422 -0.799 . . . . 0.56999999999999995 109.753 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.99 -34.24 28.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 1.6599999999999999 110.029 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.39 -48.18 78.93 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.144 -0.972 . . . . 1.29 109.983 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' C' ' 332' ' ' ILE . 22.8 m-85 -61.14 -50.48 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.279 -0.888 . . . . 0.40000000000000002 109.296 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -51.12 -40.78 59.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 3.8500000000000001 109.787 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.75 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.15 -0.969 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.225 -0.922 . . . . 1.1699999999999999 109.461 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.97 -50.5 73.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.825 . . . . 1.2 109.71 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -62.24 -32.27 72.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 2.1200000000000001 109.833 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.53 -49.92 75.63 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.259 -0.9 . . . . 1.0700000000000001 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.3 -44.52 97.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.928 . . . . 1.1399999999999999 109.719 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.79 -36.57 74.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.91 . . . . 2.0899999999999999 109.608 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.47 -41.88 96.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 1.3799999999999999 109.558 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 2.6800000000000002 108.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.97 -33.02 64.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.419 -0.8 . . . . 1.3400000000000001 109.603 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.14 85.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.292 -0.88 . . . . 1.3 109.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.77 -4.94 57.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.8 109.644 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.97 67.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 1.47 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.91 56.12 4.83 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.428 -1.469 . . . . 1.6599999999999999 109.428 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.83 108.48 18.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.262 -1.14 . . . . 4.7800000000000002 109.692 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.543 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -51.17 -56.85 16.73 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.382 -0.824 . . . . 6.1900000000000004 109.681 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.4 Cg_endo -61.39 140.52 88.34 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.848 1.699 . . . . 6.1799999999999997 110.055 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.974 -1.459 . . . . 6.9000000000000004 109.523 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 7.6900000000000004 109.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.67 -119.51 0.94 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 7.4500000000000002 109.489 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 25.4 mttt 59.58 91.4 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 120.841 -1.162 . . . . 6.8399999999999999 109.319 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -58.97 171.25 2.24 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.219 1.946 . . . . 5.1200000000000001 110.503 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 27.0 mt -80.08 149.22 30.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.364 -0.835 . . . . 4.6600000000000001 109.53 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -82.04 13.58 3.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 2.46 109.981 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.07 137.48 35.99 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.709 -1.356 . . . . 1.0800000000000001 109.709 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.33 129.45 41.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.589 -0.948 . . . . 1.6699999999999999 109.98 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.0 155.62 16.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 1.01 109.055 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -140.13 -170.4 2.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.63 110.012 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 66.8 p -152.73 159.64 43.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.346 -0.846 . . . . 1.1299999999999999 109.171 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' B' ' 329' ' ' THR . 13.6 tp -148.71 136.92 21.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 1.1000000000000001 109.645 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.69 128.75 35.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.393 -0.817 . . . . 1.3700000000000001 109.228 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.443 HG22 ' CD2' ' D' ' 341' ' ' PHE . 47.3 mt -123.91 115.55 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 1.1499999999999999 109.524 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 152.99 40.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 2.77 109.63 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.24 137.9 7.04 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.783 -1.327 . . . . 0.42999999999999999 109.783 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.57 3.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.429 -1.042 . . . . 3.1200000000000001 109.39 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.09 -43.15 86.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 2.2200000000000002 109.277 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.32 -42.78 96.32 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.304 -0.873 . . . . 3.5 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -55.42 -56.85 15.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 0.5 109.647 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.9 -34.38 28.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.835 . . . . 1.6899999999999999 109.998 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.26 -48.22 79.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.043 -1.035 . . . . 1.1399999999999999 110.094 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.443 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.2 m-85 -61.02 -50.57 72.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.927 . . . . 0.32000000000000001 109.381 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.17 -40.77 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.393 -0.817 . . . . 2.96 109.74 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.85 -42.64 98.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 1.75 110.023 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.24 -42.69 99.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.466 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.88 -50.63 72.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.33 -0.856 . . . . 1.22 109.654 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.13 -32.29 72.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.195 -0.941 . . . . 1.73 109.913 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.132 -0.98 . . . . 1.0700000000000001 109.954 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.38 -44.63 96.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 1.1100000000000001 109.718 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.45 74.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 1.9099999999999999 109.594 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.42 -42.11 96.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 1.1699999999999999 109.491 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.3 -44.54 97.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.342 -0.849 . . . . 2.1499999999999999 109.025 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.05 -32.94 64.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.481 -0.762 . . . . 1.4399999999999999 109.582 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.09 85.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.219 -0.926 . . . . 1.3 109.46 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.76 -5.09 57.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.243 -0.91 . . . . 1.3999999999999999 109.558 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.06 68.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.039 -1.038 . . . . 1.6000000000000001 109.406 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.82 56.12 4.84 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.464 -1.455 . . . . 1.5 109.464 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.78 108.4 18.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -1.177 . . . . 4.5499999999999998 109.699 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.54 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -51.18 -56.82 16.98 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 5.6699999999999999 109.678 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.54 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.4 Cg_endo -61.49 140.44 87.38 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 121.881 1.721 . . . . 6.1200000000000001 110.086 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.966 -1.463 . . . . 7.2699999999999996 109.47 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 63.5 mttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 7.6600000000000001 109.409 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 78.89 -26.94 0.16 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.331 -0.855 . . . . 7.5099999999999998 110.515 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.535 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 45.5 mmtt 54.38 58.14 12.12 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.858 -1.151 . . . . 6.8099999999999996 109.743 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -61.73 95.86 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.135 1.89 . . . . 5.1500000000000004 110.068 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.67 108.67 14.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.905 . . . . 4.7000000000000002 109.549 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.64 -162.66 0.54 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.862 . . . . 2.48 109.499 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.88 171.09 39.23 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.558 -1.417 . . . . 1.0800000000000001 109.558 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.0 137.68 57.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -1.176 . . . . 1.7 109.556 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -98.55 150.47 21.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 1.04 109.789 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.9 m-85 -139.73 137.52 35.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.883 . . . . 0.65000000000000002 108.935 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.54 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 75.8 p -93.06 166.77 12.19 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 110.269 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 25.2 tp -147.03 131.83 17.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.424 -0.798 . . . . 1.0900000000000001 109.722 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.44 ' OE1' HG21 ' C' ' 329' ' ' THR . 6.4 tp-100 -87.75 123.85 32.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 1.3700000000000001 109.359 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.45 116.86 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 1.1499999999999999 109.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -74.02 150.87 40.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 2.79 109.416 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.15 133.24 6.84 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.801 -1.319 . . . . 0.45000000000000001 109.801 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.3 ttt180 -82.95 -54.7 4.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.274 -1.133 . . . . 3.1600000000000001 109.512 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.89 -45.77 85.93 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 2.2200000000000002 109.291 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.3 -38.7 84.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.339 -0.851 . . . . 3.54 109.24 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' C' ' 329' ' ' THR . 77.9 t80 -54.75 -55.44 29.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.421 -0.799 . . . . 0.5 109.685 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.66 -34.8 39.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.374 -0.829 . . . . 1.6599999999999999 109.859 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.07 -47.86 82.78 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.139 -0.976 . . . . 1.1499999999999999 109.744 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.22 -44.82 96.66 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -0.968 . . . . 0.34000000000000002 109.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -53.15 -42.01 65.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.352 -0.842 . . . . 2.9399999999999999 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.32 -49.62 77.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.95 . . . . 1.74 109.979 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.32 -33.1 71.92 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.113 -0.992 . . . . 1.0700000000000001 108.85 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.03 -57.07 14.44 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.615 -0.678 . . . . 1.22 109.754 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.12 -26.55 68.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 1.72 110.15 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -60.84 3.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 110.284 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.18 -38.34 82.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 1.0800000000000001 109.554 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.72 -36.09 75.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.265 -0.897 . . . . 1.9099999999999999 109.47 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.411 ' HA ' HD11 ' A' ' 350' ' ' LEU . 38.1 tp -65.01 -40.83 95.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -50.73 70.93 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.847 -0.797 . . . . 2.1400000000000001 108.847 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -57.16 -32.85 66.83 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.666 -0.646 . . . . 1.4299999999999999 109.764 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.913 . . . . 1.3 109.805 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.62 -6.85 59.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 1.4199999999999999 109.82 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -10.89 60.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.071 -1.018 . . . . 1.5800000000000001 109.72 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.94 -11.1 74.14 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.743 -1.343 . . . . 1.54 109.743 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.77 127.53 35.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.174 -1.192 . . . . 4.5499999999999998 109.623 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.401 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 0.2 OUTLIER -50.95 157.36 1.41 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 5.71 109.441 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.401 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 2.9 Cg_endo -61.19 124.28 14.5 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.226 1.951 . . . . 6.0899999999999999 110.199 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.513 -1.435 . . . . 7.2400000000000002 109.513 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 63.4 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.535 -0.543 . . . . 7.6699999999999999 109.535 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 78.97 -27.03 0.16 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.892 . . . . 7.46 110.505 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.525 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 45.8 mmtt 54.45 58.05 12.04 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 120.839 -1.163 . . . . 6.79 109.734 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -61.66 95.98 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.028 1.819 . . . . 5.1500000000000004 109.985 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 63.9 mt -80.85 108.82 14.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.21 -0.931 . . . . 4.6600000000000001 109.532 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.86 -162.6 0.55 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 2.4700000000000002 109.391 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.82 171.31 38.58 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.532 -1.427 . . . . 1.0600000000000001 109.532 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.17 137.7 57.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -1.112 . . . . 1.6100000000000001 109.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.69 150.47 21.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.96999999999999997 109.737 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -139.68 137.7 35.42 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.833 -0.803 . . . . 0.59999999999999998 108.833 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.557 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.7 p -93.15 166.74 12.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.165 -0.959 . . . . 1.1000000000000001 110.117 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 25.0 tp -147.03 131.73 17.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.415 -0.803 . . . . 1.1000000000000001 109.823 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.457 ' OE1' HG21 ' D' ' 329' ' ' THR . 6.4 tp-100 -87.66 123.89 32.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.3600000000000001 109.361 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 18.9 mt -124.58 116.94 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 1.1699999999999999 109.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.494 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.4 OUTLIER -74.07 150.99 40.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.199 -0.938 . . . . 2.79 109.405 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.17 133.26 6.85 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.808 -1.317 . . . . 0.47999999999999998 109.808 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.3 ttt180 -83.14 -54.56 4.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.419 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.89 -45.81 85.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 2.21 109.269 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -38.9 84.56 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 3.5499999999999998 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' D' ' 329' ' ' THR . 77.9 t80 -54.69 -55.43 29.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.381 -0.824 . . . . 0.52000000000000002 109.615 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.57 -34.91 38.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.391 -0.818 . . . . 1.6799999999999999 109.928 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.93 -47.77 83.43 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.228 -0.92 . . . . 1.1499999999999999 109.883 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.38 -44.7 96.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.33000000000000002 109.145 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -53.32 -41.9 66.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.541 -0.724 . . . . 3.02 109.951 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.23 -49.71 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 1.75 109.986 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.27 -33.12 71.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.205 -0.934 . . . . 1.0700000000000001 108.838 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.98 -57.23 13.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.523 -0.735 . . . . 1.21 109.672 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.03 -26.56 68.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 1.6899999999999999 110.162 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -60.9 3.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.197 -0.939 . . . . 1.0600000000000001 110.274 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.414 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 15.6 mt -60.31 -38.2 82.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 1.0800000000000001 109.532 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.73 -36.02 75.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.224 -0.923 . . . . 1.9299999999999999 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 38.0 tp -64.98 -40.92 95.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.387 -0.821 . . . . 1.1399999999999999 109.315 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -50.53 71.73 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.743 0.782 . . . . 2.1899999999999999 108.934 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -57.45 -32.73 67.22 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.71 -0.619 . . . . 1.4299999999999999 109.811 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.3100000000000001 109.756 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.64 -6.76 59.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 1.3999999999999999 109.804 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.94 60.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 1.5700000000000001 109.673 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.0 -11.06 74.03 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.723 -1.351 . . . . 1.53 109.723 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.73 127.57 35.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -1.125 . . . . 4.5800000000000001 109.652 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.401 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 0.2 OUTLIER -51.02 157.37 1.44 Allowed Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 5.6799999999999997 109.481 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.401 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -61.19 124.24 14.43 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.22 1.947 . . . . 6.0499999999999998 110.192 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.985 -1.453 . . . . 7.2000000000000002 109.499 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 63.3 mttt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.299 0.571 . . . . 9.2200000000000006 109.508 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 78.86 -26.96 0.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.285 -0.884 . . . . 8.5099999999999998 110.595 -179.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.536 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 45.6 mmtt 54.42 58.03 12.08 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.842 -1.161 . . . . 7.4199999999999999 109.782 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -61.7 96.02 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.006 1.804 . . . . 5.0499999999999998 110.034 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.81 108.75 14.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 5.1399999999999997 109.562 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.72 -162.61 0.54 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 2.8500000000000001 109.44 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.85 171.22 38.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.569 -1.412 . . . . 1.27 109.569 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.14 137.64 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.213 -1.169 . . . . 2.1099999999999999 109.589 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.48 150.52 21.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 1.01 109.79 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.6 m-85 -139.79 137.56 35.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.57999999999999996 108.904 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.546 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 75.9 p -92.94 166.83 12.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -0.955 . . . . 1.1599999999999999 110.171 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.8 tp -147.05 131.67 17.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.404 -0.81 . . . . 1.1699999999999999 109.86 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.434 ' OE1' HG21 ' A' ' 329' ' ' THR . 6.4 tp-100 -87.68 123.81 32.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.188 -0.945 . . . . 1.8100000000000001 109.459 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.47 116.98 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 1.1299999999999999 109.942 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -74.14 150.98 40.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.172 -0.955 . . . . 2.8199999999999998 109.396 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.11 133.19 6.8 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.805 -1.318 . . . . 0.45000000000000001 109.805 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttt180 -83.0 -54.61 4.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 3.0800000000000001 109.511 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.92 -45.71 86.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -0.905 . . . . 2.54 109.282 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.29 -38.78 84.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.463 -0.773 . . . . 4.1100000000000003 109.277 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -54.81 -55.25 32.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.476 -0.765 . . . . 0.56999999999999995 109.69 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.72 -34.9 41.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.405 -0.809 . . . . 1.6599999999999999 109.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.92 -47.88 82.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.185 -0.947 . . . . 1.29 109.844 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.33 -44.7 96.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.40000000000000002 109.132 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -53.17 -41.89 65.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.396 -0.815 . . . . 3.8500000000000001 110.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.38 -49.65 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.18 -0.95 . . . . 1.78 109.94 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.34 -33.1 71.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 108.824 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.1 -57.05 14.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.534 -0.729 . . . . 1.2 109.682 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.06 -26.61 68.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 2.1200000000000001 110.129 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.82 -60.93 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.06 -1.025 . . . . 1.0700000000000001 110.128 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.22 -38.2 82.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 1.1399999999999999 109.519 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.82 -36.06 76.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 2.0899999999999999 109.358 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.512 ' CD1' ' NE2' ' D' ' 354' ' ' GLN . 38.1 tp -65.05 -40.75 95.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 1.3799999999999999 109.38 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -50.69 71.01 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.877 -0.786 . . . . 2.6800000000000002 108.877 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.19 -32.85 66.88 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.3400000000000001 109.803 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.53 85.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.891 . . . . 1.3 109.798 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD12 ' D' ' 350' ' ' LEU . 0.5 OUTLIER -82.73 -6.64 59.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 1.8 109.801 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.09 -10.93 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.174 -0.954 . . . . 1.47 109.634 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.9 -11.13 74.22 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.791 -1.324 . . . . 1.6599999999999999 109.791 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -88.77 127.62 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -1.129 . . . . 4.7800000000000002 109.615 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.0 157.41 1.42 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 6.1900000000000004 109.348 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.18 124.37 14.68 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.175 1.917 . . . . 6.1799999999999997 110.173 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.523 -1.431 . . . . 6.9000000000000004 109.523 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 63.5 mttt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.388 -0.597 . . . . 7.6900000000000004 109.388 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 78.82 -26.99 0.16 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.329 -0.857 . . . . 7.4500000000000002 110.564 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 45.5 mmtt 54.43 57.99 12.09 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 120.894 -1.129 . . . . 6.8399999999999999 109.825 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.2 Cg_endo -61.67 95.94 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.095 1.863 . . . . 5.1200000000000001 110.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 63.7 mt -80.78 108.74 14.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 4.6600000000000001 109.55 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.74 -162.63 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.346 -0.846 . . . . 2.46 109.416 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 171.22 39.32 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.528 -1.429 . . . . 1.0800000000000001 109.528 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.04 137.67 57.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -1.165 . . . . 1.6699999999999999 109.618 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -98.57 150.49 21.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.01 109.787 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.7 m-85 -139.78 137.51 35.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.63 108.923 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.581 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.6 p -93.11 166.55 12.29 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.217 -0.927 . . . . 1.1299999999999999 110.198 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 25.0 tp -146.82 131.79 18.17 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.401 -0.812 . . . . 1.1000000000000001 109.831 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.442 ' OE1' HG21 ' B' ' 329' ' ' THR . 6.4 tp-100 -87.63 123.94 33.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 1.3700000000000001 109.379 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.59 116.99 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.33 -0.857 . . . . 1.1499999999999999 109.806 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.482 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.4 OUTLIER -74.15 150.87 40.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.97 . . . . 2.77 109.341 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.21 133.22 6.85 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.772 -1.331 . . . . 0.42999999999999999 109.772 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.3 ttt180 -82.94 -54.76 4.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.367 -1.078 . . . . 3.1200000000000001 109.433 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.9 -45.85 85.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.321 -0.862 . . . . 2.2200000000000002 109.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.08 -38.84 84.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.299 -0.876 . . . . 3.5 109.293 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' B' ' 329' ' ' THR . 77.7 t80 -54.72 -55.4 30.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.421 -0.799 . . . . 0.5 109.665 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.63 -34.9 39.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.362 -0.836 . . . . 1.6899999999999999 109.879 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.06 -47.71 83.5 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 109.755 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.32 -44.82 96.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.245 -0.91 . . . . 0.32000000000000001 109.178 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -53.11 -42.02 65.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 2.96 109.983 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.36 -49.6 77.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.209 -0.932 . . . . 1.75 109.896 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.3 -33.06 71.82 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.131 -0.98 . . . . 1.0800000000000001 108.849 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.13 -57.1 14.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.525 -0.735 . . . . 1.22 109.618 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.13 -26.47 68.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 1.73 110.144 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.81 -60.9 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 110.179 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.14 -38.33 82.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 1.1100000000000001 109.558 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.65 -36.09 75.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.9099999999999999 109.528 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 37.9 tp -64.96 -40.92 95.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.164 -0.96 . . . . 1.1699999999999999 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HA ' HD23 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.96 -50.7 71.08 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 2.1499999999999999 108.932 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -57.27 -32.66 66.83 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.623 -0.673 . . . . 1.4399999999999999 109.807 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.45 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 1.3 109.777 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.512 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 0.5 OUTLIER -82.68 -6.81 59.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.928 . . . . 1.3999999999999999 109.745 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.01 -10.77 60.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.124 -0.985 . . . . 1.6000000000000001 109.722 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.08 -11.09 73.69 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.691 -1.364 . . . . 1.5 109.691 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.74 127.66 35.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.17 -1.194 . . . . 4.5499999999999998 109.672 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.09 157.43 1.48 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 5.6699999999999999 109.423 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.14 124.33 14.63 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.169 1.913 . . . . 6.1200000000000001 110.213 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.959 -1.467 . . . . 7.2699999999999996 109.63 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 79.9 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.49 -0.559 . . . . 7.6600000000000001 109.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.09 122.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.95 . . . . 7.5099999999999998 109.579 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.09 89.34 0.11 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 6.8099999999999996 109.379 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.91 105.25 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.224 1.95 . . . . 5.1500000000000004 110.499 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.423 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 42.8 mt -80.72 142.24 34.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 4.7000000000000002 109.074 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.25 5.04 15.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 2.48 109.929 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.419 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -68.69 138.93 32.41 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.457 -1.457 . . . . 1.0800000000000001 109.457 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.43 126.59 27.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.576 -0.955 . . . . 1.7 109.759 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.423 ' OH ' ' HB2' ' A' ' 323' ' ' LEU . 46.0 m-85 -94.49 156.63 16.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.119 -0.988 . . . . 1.04 109.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.3 m-85 -140.34 -175.16 4.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.176 -0.953 . . . . 0.65000000000000002 109.736 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.564 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.7 p -152.91 156.86 39.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 1.1399999999999999 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.2 130.67 16.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 1.0900000000000001 109.721 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.82 130.88 34.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 1.3700000000000001 109.408 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 31.7 mt -123.51 116.04 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 1.1499999999999999 109.268 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 149.19 43.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 2.79 109.445 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.65 133.73 4.15 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.525 -1.43 . . . . 0.45000000000000001 109.525 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -75.3 -45.46 39.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -1.165 . . . . 3.1600000000000001 109.486 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -46.62 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 2.2200000000000002 109.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.517 ' NH1' ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -59.3 -45.57 90.92 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 3.54 109.889 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.56 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.0 t80 -54.77 -55.73 26.94 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.372 -0.83 . . . . 0.5 109.858 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.58 -39.35 57.75 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.6599999999999999 110.236 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.36 -47.7 81.03 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.09 -1.006 . . . . 1.1499999999999999 110.537 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -61.33 -52.31 65.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.046 -1.034 . . . . 0.34000000000000002 109.444 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.79 -38.25 47.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.39 -0.819 . . . . 2.9399999999999999 109.631 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.21 -42.84 99.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.74 109.848 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.5 -46.07 90.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.197 -0.94 . . . . 1.0700000000000001 109.564 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.17 -44.0 87.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.388 -0.82 . . . . 1.22 109.958 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.66 97.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.72 110.023 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.73 64.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 1.0700000000000001 110.176 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.01 -40.35 93.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.267 -0.895 . . . . 1.0800000000000001 109.793 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.9099999999999999 109.64 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 22.5 tp -63.71 -44.58 93.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -0.892 . . . . 1.1499999999999999 109.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.87 -48.2 80.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.311 -0.868 . . . . 2.1400000000000001 109.233 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.46 -31.88 66.39 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.477 -0.765 . . . . 1.4299999999999999 109.792 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.43 90.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 1.3 109.523 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.21 -6.41 59.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 1.4199999999999999 109.533 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.14 -16.17 61.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 1.5800000000000001 109.605 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 -25.0 38.61 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.427 -1.469 . . . . 1.54 109.427 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 152.11 21.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.4 -1.059 . . . . 4.5499999999999998 109.314 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.41 156.89 1.35 Allowed Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.929 . . . . 5.71 109.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.65 128.07 24.63 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.161 1.907 . . . . 6.0899999999999999 110.267 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.962 -1.466 . . . . 7.2400000000000002 109.496 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.463 -0.569 . . . . 7.6699999999999999 109.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.27 122.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 7.46 109.455 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.1 89.29 0.11 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 6.79 109.374 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.99 105.3 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.125 1.883 . . . . 5.1500000000000004 110.493 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.434 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 42.2 mt -80.67 142.25 34.11 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.292 -0.88 . . . . 4.6600000000000001 109.079 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -80.32 4.93 16.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 2.4700000000000002 109.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -68.62 138.8 32.37 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.539 -1.424 . . . . 1.0600000000000001 109.539 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.32 126.49 27.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.504 -0.998 . . . . 1.6100000000000001 109.763 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.434 ' OH ' ' HB2' ' B' ' 323' ' ' LEU . 45.6 m-85 -94.38 156.63 16.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.301 -0.874 . . . . 0.96999999999999997 109.096 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -140.48 -175.28 4.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.094 -1.004 . . . . 0.59999999999999998 109.694 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.503 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 17.8 p -152.77 157.01 40.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.228 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.25 130.64 16.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.17 -0.956 . . . . 1.1000000000000001 109.66 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.89 131.0 34.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 1.3600000000000001 109.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 31.4 mt -123.56 115.91 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.229 -0.92 . . . . 1.1699999999999999 109.383 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 149.21 43.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 2.79 109.412 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.55 133.79 4.12 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.589 -1.405 . . . . 0.47999999999999998 109.589 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.47 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.2 ttt180 -75.36 -45.42 39.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -1.122 . . . . 3.2200000000000002 109.453 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.33 -46.76 85.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.825 . . . . 2.21 109.444 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.509 ' HB2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -59.4 -45.54 91.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.228 -0.92 . . . . 3.5499999999999998 109.802 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.1 t80 -54.74 -55.65 27.67 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.421 -0.799 . . . . 0.52000000000000002 109.887 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.56 -39.36 57.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.874 . . . . 1.6799999999999999 110.277 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.43 -47.72 80.75 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.087 -1.008 . . . . 1.1499999999999999 110.493 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.989 -1.07 . . . . 0.33000000000000002 109.462 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.84 -38.26 47.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.344 -0.848 . . . . 3.02 109.582 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.19 -42.93 99.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.124 -0.985 . . . . 1.75 109.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.35 -46.21 89.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.614 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.04 -43.98 87.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.29 -0.881 . . . . 1.21 109.991 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 110.021 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.44 -52.64 64.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 1.0600000000000001 110.143 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.153 -0.967 . . . . 1.0800000000000001 109.874 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 1.9299999999999999 109.805 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.437 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 22.2 tp -63.69 -44.63 93.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -0.904 . . . . 1.1399999999999999 109.596 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.78 -48.23 80.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.281 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.34 -32.01 66.29 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.563 -0.711 . . . . 1.4299999999999999 109.735 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.29 90.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 1.3100000000000001 109.577 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.31 -6.31 59.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 1.3999999999999999 109.493 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.98 61.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.17 -0.956 . . . . 1.5700000000000001 109.648 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.19 -25.05 38.21 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.314 -1.514 . . . . 1.53 109.314 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.18 152.08 21.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -1.094 . . . . 4.5800000000000001 109.283 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -50.27 156.9 1.3 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.99 . . . . 5.6799999999999997 109.285 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.74 128.18 24.88 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.217 1.945 . . . . 6.0499999999999998 110.199 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 117.931 -1.483 . . . . 7.2000000000000002 109.486 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.481 -0.562 . . . . 9.2200000000000006 109.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.17 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.22 -0.925 . . . . 8.5099999999999998 109.551 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 58.13 89.4 0.11 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.917 . . . . 7.4199999999999999 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.97 105.28 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.181 1.921 . . . . 5.0499999999999998 110.433 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.426 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 42.5 mt -80.68 142.18 34.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.361 -0.837 . . . . 5.1399999999999997 109.113 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -80.27 4.96 16.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 2.8500000000000001 109.965 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -68.6 138.84 32.46 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.479 -1.448 . . . . 1.27 109.479 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.32 126.43 27.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.392 -1.064 . . . . 2.1099999999999999 109.807 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 46.5 m-85 -94.35 156.65 16.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 1.01 109.145 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.4 m-85 -140.43 -175.17 4.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.141 -0.974 . . . . 0.57999999999999996 109.68 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.56 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 17.6 p -152.88 156.87 39.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.363 -0.836 . . . . 1.1599999999999999 109.208 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.21 130.65 16.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.119 -0.988 . . . . 1.1699999999999999 109.68 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.93 131.03 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 1.8100000000000001 109.405 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 31.8 mt -123.56 116.06 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 1.1299999999999999 109.31 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 149.17 43.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 2.8199999999999998 109.393 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.76 4.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.548 -1.421 . . . . 0.45000000000000001 109.548 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.4 ttt180 -75.34 -45.43 39.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -1.13 . . . . 3.0800000000000001 109.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.3 -46.75 85.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 2.54 109.449 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.519 ' NH1' ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.295 -0.878 . . . . 4.1100000000000003 109.904 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.564 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.6 t80 -54.71 -55.79 26.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.434 -0.792 . . . . 0.56999999999999995 109.816 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.49 -39.42 57.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 1.6599999999999999 110.266 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.39 -47.77 80.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.076 -1.015 . . . . 1.29 110.399 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -61.3 -52.18 65.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.1 -1.0 . . . . 0.40000000000000002 109.506 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.87 -38.29 48.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.301 -0.874 . . . . 3.8500000000000001 109.58 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.17 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 1.78 109.77 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.49 -46.19 89.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 1.1699999999999999 109.539 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -57.95 -44.17 86.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 1.2 109.915 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.56 97.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.294 -0.879 . . . . 2.1200000000000001 110.088 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.62 64.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 110.198 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.09 -40.39 93.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -0.958 . . . . 1.1399999999999999 109.737 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.99 -36.44 79.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 2.0899999999999999 109.656 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.465 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 22.4 tp -63.59 -44.79 92.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 1.3799999999999999 109.559 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.69 -48.36 79.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 2.6800000000000002 109.215 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.37 -31.95 66.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.457 -0.777 . . . . 1.3400000000000001 109.754 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.34 90.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 1.3 109.559 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.22 -6.45 59.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 1.8 109.52 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.1 -16.01 62.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 1.47 109.674 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -25.02 38.36 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.431 -1.468 . . . . 1.6599999999999999 109.431 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.24 152.06 21.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -1.13 . . . . 4.7800000000000002 109.331 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.21 156.79 1.3 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.149 -0.97 . . . . 6.1900000000000004 109.355 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.63 128.16 24.96 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.234 1.956 . . . . 6.1799999999999997 110.183 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.013 -1.437 . . . . 6.9000000000000004 109.581 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 79.9 mttt . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.301 0.572 . . . . 7.6900000000000004 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.13 122.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 7.4500000000000002 109.428 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.1 89.33 0.11 Allowed Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.235 -0.915 . . . . 6.8399999999999999 109.325 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.97 105.33 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.289 1.993 . . . . 5.1200000000000001 110.427 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.431 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 42.4 mt -80.82 142.2 33.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 4.6600000000000001 109.031 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.27 5.05 15.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.197 -0.94 . . . . 2.46 109.919 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -68.68 138.91 32.41 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.442 -1.463 . . . . 1.0800000000000001 109.442 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.33 126.53 27.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.491 -1.005 . . . . 1.6699999999999999 109.815 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 45.9 m-85 -94.45 156.65 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 1.01 109.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.6 m-85 -140.54 -175.31 4.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.63 109.678 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.7 p -152.73 156.9 40.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.1299999999999999 109.17 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.24 130.7 16.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 1.1000000000000001 109.632 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.84 131.03 34.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.3700000000000001 109.345 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 32.2 mt -123.71 115.95 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.223 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 149.21 43.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 2.77 109.458 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.81 4.15 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.596 -1.402 . . . . 0.42999999999999999 109.596 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -75.41 -45.41 39.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -1.144 . . . . 3.1200000000000001 109.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -58.25 -46.71 85.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.318 -0.864 . . . . 2.2200000000000002 109.562 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.519 ' NH1' ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -59.35 -45.58 90.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.292 -0.88 . . . . 3.5 109.873 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.503 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.5 t80 -54.74 -55.69 27.26 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.402 -0.811 . . . . 0.5 109.884 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.54 -39.4 57.66 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.296 -0.877 . . . . 1.6899999999999999 110.288 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.4 -47.72 80.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.034 -1.041 . . . . 1.1399999999999999 110.507 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -61.32 -52.22 65.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.009 -1.057 . . . . 0.32000000000000001 109.431 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.85 -38.29 48.29 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.426 -0.796 . . . . 2.96 109.522 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -61.15 -42.89 99.36 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.161 -0.962 . . . . 1.75 109.85 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.35 -46.2 89.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.576 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.11 -44.03 87.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.385 -0.822 . . . . 1.22 109.945 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.4 -40.57 97.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 1.73 110.056 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.3 -52.85 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 110.189 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.93 -40.34 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.1100000000000001 109.809 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.01 -36.43 79.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 1.9099999999999999 109.755 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 22.4 tp -63.75 -44.5 93.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.881 . . . . 1.1699999999999999 109.627 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.85 -48.23 79.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.453 -0.78 . . . . 2.1499999999999999 109.207 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.37 -31.93 66.28 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.602 -0.686 . . . . 1.4399999999999999 109.761 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.33 90.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.3 109.516 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -82.31 -6.32 59.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 1.3999999999999999 109.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.14 -16.03 61.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.169 -0.957 . . . . 1.6000000000000001 109.711 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.08 -25.06 38.53 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 1.5 109.427 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.3 151.96 21.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.329 -1.101 . . . . 4.5499999999999998 109.284 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.12 156.81 1.27 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 5.6699999999999999 109.421 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.62 128.04 24.58 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.263 1.975 . . . . 6.1200000000000001 110.257 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.015 -1.436 . . . . 7.2699999999999996 109.537 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.302 0.572 . . . . 7.6600000000000001 109.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.03 81.68 0.12 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 7.5099999999999998 109.546 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.91 91.18 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 6.8099999999999996 109.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.28 -2.03 7.43 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.118 1.879 . . . . 5.1500000000000004 110.881 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.29 104.68 12.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.877 -1.139 . . . . 4.7000000000000002 109.722 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.424 ' CB ' ' HD2' ' C' ' 333' ' ' ARG . 5.1 m-20 -82.11 -159.12 0.28 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 2.48 109.316 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.05 179.79 23.12 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.458 -1.457 . . . . 1.0800000000000001 109.458 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.14 135.81 57.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.259 -1.142 . . . . 1.7 109.608 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 15.5 m-85 -95.58 144.92 25.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 1.04 109.401 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 51.0 m-85 -138.66 137.28 36.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.16 -0.962 . . . . 0.65000000000000002 109.243 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 19.4 p -92.12 176.66 6.42 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.453 -0.779 . . . . 1.1399999999999999 109.716 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.83 129.13 13.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.481 -0.762 . . . . 1.0900000000000001 109.05 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.66 120.46 27.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 1.3700000000000001 109.802 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 341' ' ' PHE . 42.5 mt -123.88 106.66 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.427 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.405 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -73.75 139.06 44.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 2.79 109.51 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.05 7.54 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.77 -1.332 . . . . 0.45000000000000001 109.77 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 13.5 ttp180 -82.21 -59.59 2.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -1.188 . . . . 3.1600000000000001 109.529 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.47 -40.83 83.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.899 . . . . 2.2200000000000002 109.563 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.493 ' NH1' HD12 ' C' ' 348' ' ' LEU . 11.1 tpp180 -62.55 -44.2 96.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.863 . . . . 3.54 109.298 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -54.9 -47.09 74.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.402 -0.811 . . . . 0.5 109.288 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.19 -40.97 59.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 110.005 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -62.72 -46.23 89.06 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.936 . . . . 1.1499999999999999 110.273 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.431 ' CB ' HD11 ' A' ' 332' ' ' ILE . 22.1 m-85 -61.02 -56.26 23.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.064 -1.023 . . . . 0.34000000000000002 109.409 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -49.93 -34.44 20.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.402 -0.812 . . . . 2.9399999999999999 109.597 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.44 -49.98 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 1.74 109.435 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.42 -34.98 76.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 108.929 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.86 -52.16 66.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.389 -0.819 . . . . 1.22 109.506 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.8 -33.24 74.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.377 -0.827 . . . . 1.72 109.91 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.96 -53.63 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.254 -0.904 . . . . 1.0700000000000001 110.065 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.446 HD12 ' NH1' ' C' ' 337' ' ' ARG . 59.2 mt -61.22 -41.12 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 1.0800000000000001 109.762 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.09 -37.45 82.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 110.001 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.1 tt -64.9 -44.78 88.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.506 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.457 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.0 ttmt -61.67 -43.65 98.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 2.1400000000000001 109.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.25 -33.12 67.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.525 -0.734 . . . . 1.4299999999999999 109.794 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.35 87.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 1.3 109.791 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.05 -11.11 58.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.139 -0.976 . . . . 1.4199999999999999 109.601 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.27 -30.21 63.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 1.5800000000000001 109.813 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.26 -20.52 54.73 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.012 -1.235 . . . . 1.54 110.012 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.439 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 3.7 mttp -89.63 61.93 5.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.12 -1.224 . . . . 4.5499999999999998 109.431 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.13 106.77 0.64 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.873 . . . . 5.71 109.67 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.3 Cg_endo -62.92 137.57 63.32 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 121.952 1.768 . . . . 6.0899999999999999 110.31 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 117.981 -1.455 . . . . 7.2400000000000002 109.59 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.291 0.567 . . . . 7.6699999999999999 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.04 81.61 0.12 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.291 -0.881 . . . . 7.46 109.553 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.04 91.04 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 6.79 109.371 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.25 -1.89 7.16 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.101 1.867 . . . . 5.1500000000000004 110.943 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.29 104.65 12.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.915 -1.116 . . . . 4.6600000000000001 109.656 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.435 ' CB ' ' HD2' ' D' ' 333' ' ' ARG . 5.0 m-20 -82.0 -159.18 0.28 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 2.4700000000000002 109.347 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 179.75 22.48 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 1.0600000000000001 109.521 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.21 135.82 57.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.139 -1.212 . . . . 1.6100000000000001 109.586 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 15.3 m-85 -95.61 145.04 25.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.968 . . . . 0.96999999999999997 109.418 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 51.1 m-85 -138.79 137.34 36.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.59999999999999998 109.225 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 19.0 p -92.3 176.46 6.47 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.363 -0.836 . . . . 1.1000000000000001 109.719 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.61 129.19 14.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.432 -0.793 . . . . 1.1000000000000001 109.06 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.36 27.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.839 . . . . 1.3600000000000001 109.831 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.419 HD11 ' CB ' ' B' ' 341' ' ' PHE . 42.7 mt -123.78 106.72 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 1.1699999999999999 109.378 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HD2' ' CB ' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.84 139.1 44.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.79 109.432 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.18 136.97 7.5 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.753 -1.339 . . . . 0.47999999999999998 109.753 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 13.5 ttp180 -81.99 -59.76 2.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.251 -1.147 . . . . 3.2200000000000002 109.515 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.95 83.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.229 -0.919 . . . . 2.21 109.522 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' HD12 ' D' ' 348' ' ' LEU . 11.1 tpp180 -62.45 -44.22 96.94 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.359 -0.838 . . . . 3.5499999999999998 109.256 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.404 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 24.6 t80 -54.83 -47.33 74.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.372 -0.83 . . . . 0.52000000000000002 109.266 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.14 -40.79 59.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.6799999999999999 110.01 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.79 -46.34 88.44 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 1.1499999999999999 110.203 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.419 ' CB ' HD11 ' B' ' 332' ' ' ILE . 21.9 m-85 -61.01 -56.2 23.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.33000000000000002 109.431 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -50.05 -34.45 21.53 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.352 -0.843 . . . . 3.02 109.49 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.4 -49.96 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.064 -1.023 . . . . 1.75 109.534 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.33 -34.99 76.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.304 -0.873 . . . . 1.0700000000000001 109.022 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.89 -52.14 67.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.47 -0.769 . . . . 1.21 109.465 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.79 -33.29 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.415 -0.803 . . . . 1.6899999999999999 109.837 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.02 -53.63 54.85 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 1.0600000000000001 109.999 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.439 HD12 ' NH1' ' D' ' 337' ' ' ARG . 58.7 mt -61.12 -41.33 96.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.764 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.85 -37.6 82.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.353 -0.842 . . . . 1.9299999999999999 109.989 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.1 tt -64.88 -44.72 88.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.581 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.0 ttmt -61.62 -43.77 98.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.431 -0.793 . . . . 2.1899999999999999 109.243 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.03 67.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.528 -0.733 . . . . 1.4299999999999999 109.839 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.44 87.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.186 -0.946 . . . . 1.3100000000000001 109.864 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.01 -11.16 58.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 1.3999999999999999 109.624 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.19 -30.32 63.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.966 . . . . 1.5700000000000001 109.772 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.11 -20.58 54.93 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.048 -1.221 . . . . 1.53 110.048 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.441 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 3.7 mttp -89.65 62.0 5.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.236 . . . . 4.5800000000000001 109.471 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.09 106.83 0.65 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 5.6799999999999997 109.636 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.3 Cg_endo -62.93 137.63 63.63 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.0 1.8 . . . . 6.0499999999999998 110.237 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.923 -1.487 . . . . 7.2000000000000002 109.578 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.268 0.556 . . . . 9.2200000000000006 109.592 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.11 81.61 0.12 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 8.5099999999999998 109.562 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.82 91.19 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.275 -0.89 . . . . 7.4199999999999999 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.21 -2.0 7.32 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.152 1.901 . . . . 5.0499999999999998 110.971 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -82.29 104.76 12.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.977 -1.077 . . . . 5.1399999999999997 109.674 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.4 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 5.1 m-20 -82.08 -159.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.19 -0.944 . . . . 2.8500000000000001 109.308 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 179.8 22.9 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.456 -1.458 . . . . 1.27 109.456 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -59.07 135.71 57.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.166 -1.196 . . . . 2.1099999999999999 109.57 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 15.2 m-85 -95.47 145.05 25.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 1.01 109.444 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.55 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 50.8 m-85 -138.82 137.33 36.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.27 -0.894 . . . . 0.57999999999999996 109.223 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.31 176.43 6.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.509 -0.744 . . . . 1.1599999999999999 109.729 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.61 129.1 13.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.407 -0.808 . . . . 1.1699999999999999 109.122 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.51 27.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.8100000000000001 109.844 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' C' ' 341' ' ' PHE . 43.1 mt -123.96 106.65 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 1.1299999999999999 109.399 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.424 ' HD2' ' CB ' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.86 139.17 44.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 2.8199999999999998 109.467 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.19 137.04 7.52 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.671 -1.372 . . . . 0.45000000000000001 109.671 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 13.5 ttp180 -82.12 -59.58 2.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -1.092 . . . . 3.0800000000000001 109.517 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.98 83.88 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.867 . . . . 2.54 109.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.446 ' NH1' HD12 ' A' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.27 96.77 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.268 -0.895 . . . . 4.1100000000000003 109.174 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.81 -47.23 74.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.396 -0.815 . . . . 0.56999999999999995 109.248 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.18 -40.86 59.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 1.6599999999999999 109.998 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.83 -46.15 89.26 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 1.29 110.27 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.431 ' CB ' HD11 ' C' ' 332' ' ' ILE . 22.3 m-85 -60.93 -56.44 21.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.135 -0.978 . . . . 0.40000000000000002 109.385 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -49.96 -34.38 20.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 3.8500000000000001 109.522 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.46 -49.87 75.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.196 -0.94 . . . . 1.78 109.543 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.44 -34.98 76.34 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 1.1699999999999999 109.021 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -58.86 -52.07 67.32 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.392 -0.818 . . . . 1.2 109.508 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -62.79 -33.26 74.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.435 -0.791 . . . . 2.1200000000000001 109.88 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.07 -53.7 53.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 1.0700000000000001 109.921 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.493 HD12 ' NH1' ' A' ' 337' ' ' ARG . 58.9 mt -61.08 -41.46 96.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 1.1399999999999999 109.724 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.53 82.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.944 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.509 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.1 tt -65.03 -44.57 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 1.3799999999999999 109.566 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.488 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 2.6800000000000002 109.393 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.39 -33.0 67.38 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 1.3400000000000001 109.868 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.4 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 1.3 109.758 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -82.92 -11.16 58.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 1.8 109.628 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.29 63.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 1.47 109.75 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -20.65 54.66 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.997 -1.241 . . . . 1.6599999999999999 109.997 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 3.8 mttp -89.57 62.05 5.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.246 . . . . 4.7800000000000002 109.386 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.26 106.77 0.65 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.896 . . . . 6.1900000000000004 109.702 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 2.2 Cg_endo -62.78 137.53 63.8 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 121.976 1.784 . . . . 6.1799999999999997 110.371 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 117.919 -1.489 . . . . 6.9000000000000004 109.597 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.285 0.564 . . . . 7.6900000000000004 109.625 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.33 81.53 0.13 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.3 -0.875 . . . . 7.4500000000000002 109.495 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.89 91.16 0.08 OUTLIER Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 6.8399999999999999 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.27 -1.97 7.32 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.138 1.892 . . . . 5.1200000000000001 110.93 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.29 104.76 12.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.006 -1.059 . . . . 4.6600000000000001 109.677 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.417 ' CB ' ' HD2' ' B' ' 333' ' ' ARG . 5.0 m-20 -82.01 -159.16 0.28 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.11 -0.994 . . . . 2.46 109.334 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 179.78 22.94 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.488 -1.445 . . . . 1.0800000000000001 109.488 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.09 135.78 57.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.261 -1.14 . . . . 1.6699999999999999 109.58 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 15.0 m-85 -95.61 145.06 25.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 1.01 109.392 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 50.4 m-85 -138.79 137.25 36.5 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.18 -0.95 . . . . 0.63 109.33 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.25 176.3 6.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.455 -0.778 . . . . 1.1299999999999999 109.713 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.2 tp -148.46 129.17 14.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 1.1000000000000001 109.11 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.61 120.39 27.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.218 -0.926 . . . . 1.3700000000000001 109.862 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' D' ' 341' ' ' PHE . 42.8 mt -123.9 106.57 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.526 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.67 139.13 45.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.293 -0.879 . . . . 2.77 109.507 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.12 137.0 7.53 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.834 -1.306 . . . . 0.42999999999999999 109.834 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 13.4 ttp180 -82.18 -59.58 2.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -1.107 . . . . 3.1200000000000001 109.494 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.38 -40.99 83.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 2.2200000000000002 109.53 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.439 ' NH1' HD12 ' B' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.29 96.72 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.27 -0.894 . . . . 3.5 109.175 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.72 -47.26 73.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.5 109.359 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.12 -40.85 59.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.217 -0.927 . . . . 1.6899999999999999 110.092 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.2 ttp -62.69 -46.42 88.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.126 -0.984 . . . . 1.1399999999999999 110.169 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CB ' HD11 ' D' ' 332' ' ' ILE . 22.2 m-85 -60.89 -56.4 21.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.32000000000000001 109.458 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -49.84 -34.51 20.09 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.283 -0.886 . . . . 2.96 109.536 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.41 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 1.75 109.593 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.29 -35.1 76.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.198 -0.939 . . . . 1.0800000000000001 109.028 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.69 -52.22 66.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.423 -0.798 . . . . 1.22 109.553 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.75 -33.37 75.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 1.73 109.833 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.76 53.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.915 . . . . 1.0700000000000001 109.956 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.452 HD12 ' NH1' ' B' ' 337' ' ' ARG . 59.5 mt -61.11 -41.42 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 1.1100000000000001 109.728 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.5 82.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.9099999999999999 110.023 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.95 -44.67 88.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 1.1699999999999999 109.568 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.509 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.72 98.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 2.1499999999999999 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.17 -33.22 67.22 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.584 -0.698 . . . . 1.4399999999999999 109.837 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.45 87.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 1.3 109.838 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -82.93 -11.14 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.924 . . . . 1.3999999999999999 109.678 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.35 63.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 1.6000000000000001 109.759 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.13 -20.64 54.78 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.097 -1.201 . . . . 1.5 110.097 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 3.8 mttp -89.59 61.97 5.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -1.233 . . . . 4.5499999999999998 109.447 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 106.82 0.65 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 5.6699999999999999 109.62 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.3 Cg_endo -62.96 137.6 63.3 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.971 1.781 . . . . 6.1200000000000001 110.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.95 -1.472 . . . . 7.2699999999999996 109.566 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.267 0.556 . . . . 7.6600000000000001 109.538 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 319' ' ' LYS . 8.3 tttt 61.99 120.23 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.215 -0.928 . . . . 7.5099999999999998 109.46 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 135.87 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 6.8099999999999996 109.546 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.24 -152.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 121.997 1.798 . . . . 5.1500000000000004 110.196 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.99 157.03 28.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 4.7000000000000002 109.452 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -79.18 -138.64 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.339 -0.85 . . . . 2.48 109.379 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.07 159.51 49.57 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.528 -1.429 . . . . 1.0800000000000001 109.528 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.23 145.66 36.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -1.173 . . . . 1.7 109.533 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.0 m-85 -93.39 152.39 19.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.21 -0.931 . . . . 1.04 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.461 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.5 m-85 -139.24 -168.7 2.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.65000000000000002 109.663 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.8 p -152.42 160.92 43.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.862 . . . . 1.1399999999999999 109.465 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.9 133.52 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 1.0900000000000001 109.404 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.44 129.11 34.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.334 -0.854 . . . . 1.3700000000000001 109.403 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 30.5 mt -123.94 118.57 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 1.1499999999999999 109.485 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.97 150.15 40.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.848 . . . . 2.79 109.588 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 134.22 5.36 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.727 -1.349 . . . . 0.45000000000000001 109.727 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.84 -53.7 6.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.176 -1.191 . . . . 3.1600000000000001 109.327 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -46.17 87.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 2.2200000000000002 109.274 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.422 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 0.4 OUTLIER -60.99 -41.24 96.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.354 -0.841 . . . . 3.54 109.318 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -55.23 -56.12 23.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.465 -0.772 . . . . 0.5 109.593 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.87 -33.62 24.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.404 -0.81 . . . . 1.6599999999999999 109.867 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.37 75.19 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 1.1499999999999999 109.916 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.38 -48.88 79.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.34000000000000002 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.51 -37.98 51.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 2.9399999999999999 109.503 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -47.7 84.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.311 -0.868 . . . . 1.74 109.659 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.46 -33.98 74.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.27 -0.893 . . . . 1.0700000000000001 108.735 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.71 -57.46 12.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.495 -0.753 . . . . 1.22 109.429 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -26.11 68.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.72 109.824 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -57.9 10.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.144 -0.973 . . . . 1.0700000000000001 110.022 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.66 -40.13 90.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.461 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -35.63 73.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.294 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.98 -40.73 95.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.376 -0.827 . . . . 1.1499999999999999 109.222 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -62.51 -50.36 71.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.461 -0.774 . . . . 2.1400000000000001 109.073 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -30.11 60.75 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.616 -0.677 . . . . 1.4299999999999999 109.702 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.74 82.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.897 . . . . 1.3 109.736 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD22 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -82.81 -9.25 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 1.4199999999999999 109.612 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.68 60.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.002 . . . . 1.5800000000000001 109.214 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.85 43.54 3.25 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.586 -1.406 . . . . 1.54 109.586 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.27 137.6 32.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -1.154 . . . . 4.5499999999999998 109.525 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.27 155.78 1.62 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.322 -0.862 . . . . 5.71 109.34 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.52 -1.8 7.23 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.168 1.912 . . . . 6.0899999999999999 110.856 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.47 -1.452 . . . . 7.2400000000000002 109.47 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.349 0.595 . . . . 7.6699999999999999 109.522 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' B' ' 319' ' ' LYS . 8.3 tttt 62.1 120.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 7.46 109.487 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 135.81 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.293 -0.879 . . . . 6.79 109.511 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.28 -152.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.094 1.863 . . . . 5.1500000000000004 110.174 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.92 157.04 28.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.159 -0.963 . . . . 4.6600000000000001 109.465 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.23 -139.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.284 -0.885 . . . . 2.4700000000000002 109.318 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.31 159.4 47.55 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.643 -1.383 . . . . 1.0600000000000001 109.643 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.27 145.7 36.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -1.113 . . . . 1.6100000000000001 109.514 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 7.8 m-85 -93.36 152.33 19.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.228 -0.92 . . . . 0.96999999999999997 109.264 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 68.8 m-85 -139.27 -168.72 2.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.296 -0.878 . . . . 0.59999999999999998 109.723 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.9 p -152.38 160.87 43.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 109.504 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' D' ' 342' ' ' ARG . 12.3 tp -148.81 133.46 17.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 1.1000000000000001 109.522 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.18 34.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.3600000000000001 109.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 30.9 mt -123.97 118.52 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 1.1699999999999999 109.506 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.94 150.2 40.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 2.79 109.652 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.57 134.18 5.27 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.784 -1.326 . . . . 0.47999999999999998 109.784 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -80.7 -53.77 6.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -1.191 . . . . 3.2200000000000002 109.398 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -46.33 86.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 2.21 109.293 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.475 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 0.4 OUTLIER -60.91 -41.3 95.87 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.313 -0.867 . . . . 3.5499999999999998 109.296 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.3 t80 -55.28 -56.01 24.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.799 . . . . 0.52000000000000002 109.6 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.01 -33.48 25.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.341 -0.85 . . . . 1.6799999999999999 109.9 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.44 74.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.164 -0.96 . . . . 1.1499999999999999 109.893 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -48.8 79.52 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.33000000000000002 109.307 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.53 -38.06 52.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 3.02 109.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.78 84.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.157 -0.965 . . . . 1.75 109.675 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.4 -33.96 74.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 108.729 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.84 -57.4 13.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.457 -0.777 . . . . 1.21 109.404 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -26.11 68.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 1.6899999999999999 109.793 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.96 -58.0 10.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 1.0600000000000001 109.979 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 38.4 mt -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 1.0800000000000001 109.488 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.11 -35.69 73.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 1.9299999999999999 109.39 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.458 HD22 ' NE2' ' A' ' 354' ' ' GLN . 10.3 tp -64.97 -40.67 95.33 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.304 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -50.4 71.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.662 0.744 . . . . 2.1899999999999999 109.065 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -30.04 61.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.708 -0.62 . . . . 1.4299999999999999 109.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.98 81.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.815 . . . . 1.3100000000000001 109.638 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -9.26 59.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.107 -0.996 . . . . 1.3999999999999999 109.689 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.69 -22.6 60.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 1.5700000000000001 109.242 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 43.45 3.24 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.638 -1.385 . . . . 1.53 109.638 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.29 137.53 32.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -1.205 . . . . 4.5800000000000001 109.442 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.34 155.85 1.63 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 5.6799999999999997 109.369 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -67.52 -1.85 7.31 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.241 1.961 . . . . 6.0499999999999998 110.763 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 118.045 -1.42 . . . . 7.2000000000000002 109.562 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.362 0.601 . . . . 9.2200000000000006 109.477 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' C' ' 319' ' ' LYS . 8.2 tttt 62.07 120.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 8.5099999999999998 109.547 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.18 135.83 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.346 -0.846 . . . . 7.4199999999999999 109.546 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.39 -152.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.004 1.803 . . . . 5.0499999999999998 110.144 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.9 157.01 28.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.227 -0.921 . . . . 5.1399999999999997 109.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -79.09 -138.84 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 2.8500000000000001 109.479 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.8 159.48 48.9 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.599 -1.401 . . . . 1.27 109.599 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.24 145.57 37.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -1.126 . . . . 2.1099999999999999 109.493 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 7.9 m-85 -93.3 152.4 19.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.29 -0.881 . . . . 1.01 109.283 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.5 m-85 -139.23 -168.71 2.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 0.57999999999999996 109.705 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.9 p -152.38 160.98 43.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 1.1599999999999999 109.445 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.4 tp -148.96 133.41 17.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.949 . . . . 1.1699999999999999 109.494 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 17.2 tt0 -86.32 129.01 35.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 1.8100000000000001 109.472 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 30.5 mt -123.87 118.58 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 1.1299999999999999 109.587 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.99 150.1 40.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 2.8199999999999998 109.703 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.61 134.2 5.3 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.822 -1.311 . . . . 0.45000000000000001 109.822 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.461 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.69 -53.87 6.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -1.142 . . . . 3.0800000000000001 109.301 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -46.41 86.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 2.54 109.326 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -41.27 95.5 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.332 -0.855 . . . . 4.1100000000000003 109.342 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.424 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.6 t80 -55.25 -56.07 24.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 0.56999999999999995 109.611 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.98 -33.56 25.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 1.6599999999999999 109.912 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.77 -49.34 75.38 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.183 -0.948 . . . . 1.29 109.942 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.46 -49.04 78.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 109.113 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.4 -37.98 51.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 3.8500000000000001 109.485 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -47.69 84.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.249 -0.907 . . . . 1.78 109.715 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.52 -33.81 74.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 1.1699999999999999 108.773 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.86 -57.4 13.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.438 -0.788 . . . . 1.2 109.4 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -26.01 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.438 -0.789 . . . . 2.1200000000000001 109.727 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.03 -57.95 10.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.311 -0.868 . . . . 1.0700000000000001 109.966 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.422 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 37.7 mt -60.63 -40.24 91.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 109.427 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.07 -35.68 73.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 2.0899999999999999 109.316 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' D' ' 351' ' ' LYS . 10.3 tp -64.95 -40.74 95.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.3799999999999999 109.25 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.28 72.13 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 2.6800000000000002 109.132 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.708 -0.62 . . . . 1.3400000000000001 109.634 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.98 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 1.3 109.699 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.429 ' NE2' HD22 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -82.78 -9.13 59.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.143 -0.973 . . . . 1.8 109.645 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.8 -22.49 60.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.172 -0.955 . . . . 1.47 109.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.93 43.41 3.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.555 -1.418 . . . . 1.6599999999999999 109.555 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.21 137.56 32.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -1.175 . . . . 4.7800000000000002 109.458 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.28 155.71 1.64 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.254 -0.904 . . . . 6.1900000000000004 109.426 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.36 -1.91 7.29 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.259 1.973 . . . . 6.1799999999999997 110.806 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.479 -1.449 . . . . 6.9000000000000004 109.479 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.427 -0.583 . . . . 7.6900000000000004 109.427 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 319' ' ' LYS . 8.3 tttt 62.03 120.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.33 -0.856 . . . . 7.4500000000000002 109.47 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.24 135.82 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 6.8399999999999999 109.539 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.39 -152.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.104 1.87 . . . . 5.1200000000000001 110.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.9 156.97 28.36 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.241 -0.912 . . . . 4.6600000000000001 109.517 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.03 -138.9 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 2.46 109.459 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.9 159.55 49.1 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.602 -1.399 . . . . 1.0800000000000001 109.602 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.19 145.57 36.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -1.129 . . . . 1.6699999999999999 109.542 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 7.8 m-85 -93.29 152.39 19.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 1.01 109.328 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.5 m-85 -139.28 -168.67 2.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.957 . . . . 0.63 109.656 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.8 p -152.4 160.87 43.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 1.1299999999999999 109.463 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.82 133.45 17.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 1.1000000000000001 109.508 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.1 34.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.344 -0.847 . . . . 1.3700000000000001 109.441 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 30.4 mt -123.94 118.47 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 1.1499999999999999 109.509 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.92 150.11 41.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -0.842 . . . . 2.77 109.733 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.55 134.18 5.26 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.825 -1.31 . . . . 0.42999999999999999 109.825 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -80.62 -53.9 6.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -1.114 . . . . 3.1200000000000001 109.308 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -46.45 86.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.248 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -41.27 95.22 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.292 -0.88 . . . . 3.5 109.304 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.25 -56.01 24.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.789 . . . . 0.5 109.625 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.06 -33.53 26.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.432 -0.792 . . . . 1.6899999999999999 109.866 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.73 -49.38 75.26 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.169 -0.957 . . . . 1.1399999999999999 109.897 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -49.01 78.56 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.281 -0.887 . . . . 0.32000000000000001 109.185 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' B' ' 330' ' ' LEU . 20.2 ttp180 -51.36 -38.09 51.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 2.96 109.572 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -47.71 84.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.145 -0.972 . . . . 1.75 109.686 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.45 -33.96 74.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 108.739 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.72 -57.44 12.99 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.415 -0.803 . . . . 1.22 109.407 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -25.97 68.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.355 -0.841 . . . . 1.73 109.728 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.07 -57.83 10.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 110.015 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.475 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 37.6 mt -60.65 -40.1 90.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.522 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.23 -35.63 73.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.922 . . . . 1.9099999999999999 109.297 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.429 HD22 ' NE2' ' C' ' 354' ' ' GLN . 10.3 tp -64.84 -40.78 95.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 1.1699999999999999 109.339 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.464 ' HA ' HD23 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -62.42 -50.29 72.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.433 -0.792 . . . . 2.1499999999999999 109.129 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -29.98 60.97 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.645 -0.659 . . . . 1.4399999999999999 109.679 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.04 81.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.271 -0.893 . . . . 1.3 109.731 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.6 -9.26 59.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 1.3999999999999999 109.684 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.77 -22.46 60.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 1.6000000000000001 109.235 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.91 43.49 3.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.545 -1.422 . . . . 1.5 109.545 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.18 137.44 32.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -1.195 . . . . 4.5499999999999998 109.563 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.28 155.89 1.59 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.237 -0.914 . . . . 5.6699999999999999 109.396 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.52 -1.91 7.43 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.314 2.01 . . . . 6.1200000000000001 110.839 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.519 -1.432 . . . . 7.2699999999999996 109.519 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.313 -0.625 . . . . 7.6600000000000001 109.313 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 14.6 tttm 59.88 76.92 0.34 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 7.5099999999999998 109.57 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.93 107.08 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 6.8099999999999996 109.097 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.02 -80.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.019 1.813 . . . . 5.1500000000000004 110.415 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.0 107.59 11.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.994 -1.066 . . . . 4.7000000000000002 109.715 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.9 -114.88 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.176 -0.953 . . . . 2.48 109.569 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.01 166.26 47.73 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.634 -1.387 . . . . 1.0800000000000001 109.634 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.52 129.18 40.84 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -1.046 . . . . 1.7 109.247 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 6.9 m-85 -91.77 153.39 19.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 1.04 109.394 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.4 m-85 -136.08 -171.26 2.83 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.317 -0.864 . . . . 0.65000000000000002 109.662 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 13.4 p -151.78 158.53 43.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.067 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.65 133.67 18.17 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.393 -0.817 . . . . 1.0900000000000001 109.45 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 2.9 tt0 -87.02 129.07 35.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 1.3700000000000001 109.332 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.408 HG22 ' CD2' ' A' ' 341' ' ' PHE . 39.9 mt -124.09 113.21 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 1.1499999999999999 109.444 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 148.39 42.05 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.173 -0.954 . . . . 2.79 109.826 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.7 132.1 6.89 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.709 -1.356 . . . . 0.45000000000000001 109.709 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.7 ttt180 -75.05 -58.22 3.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -1.16 . . . . 3.1600000000000001 109.581 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -44.25 84.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 2.2200000000000002 109.659 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -42.64 95.32 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.28 -0.887 . . . . 3.54 109.53 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.6 t80 -56.18 -55.56 31.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.5 109.839 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.37 -37.64 49.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.367 -0.833 . . . . 1.6599999999999999 110.012 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.53 -48.61 78.78 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.197 -0.94 . . . . 1.1499999999999999 109.79 -179.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' A' ' 332' ' ' ILE . 29.6 m-85 -59.79 -52.06 67.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.028 -1.045 . . . . 0.34000000000000002 109.412 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.34 -38.57 59.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.421 -0.799 . . . . 2.9399999999999999 109.942 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -58.85 -42.84 90.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 1.74 109.767 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 64.9 mt -61.71 -45.7 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 109.461 -179.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -57.9 -43.87 86.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 1.22 109.757 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 3.2 mt-10 -63.01 -37.9 89.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 1.72 109.966 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.38 -52.07 66.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 1.0700000000000001 109.879 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.6 -40.54 92.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 1.0800000000000001 109.476 -179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.31 -38.81 81.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 1.9099999999999999 109.711 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 21.5 tp -64.03 -42.23 97.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.575 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.7 ttmt -61.99 -45.84 91.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.169 -0.957 . . . . 2.1400000000000001 109.121 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.74 -30.64 65.73 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.542 -0.724 . . . . 1.4299999999999999 109.816 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.52 81.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.541 -0.724 . . . . 1.3 109.878 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.39 -10.75 58.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.986 . . . . 1.4199999999999999 109.88 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -14.99 61.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 1.5800000000000001 109.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.52 -11.59 74.46 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.601 -1.4 . . . . 1.54 109.601 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 165.17 15.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.146 -1.208 . . . . 4.5499999999999998 109.49 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.99 134.86 14.6 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 5.71 109.099 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.23 138.86 74.61 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.886 1.724 . . . . 6.0899999999999999 110.109 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 118.001 -1.444 . . . . 7.2400000000000002 109.647 179.924 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.378 0.609 . . . . 7.6699999999999999 109.567 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 14.2 tttm 60.44 76.76 0.35 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.308 -0.87 . . . . 7.46 109.44 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.83 107.05 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 6.79 109.105 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.72 -81.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.851 1.701 . . . . 5.1500000000000004 110.407 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.09 107.45 11.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.986 -1.071 . . . . 4.6600000000000001 109.855 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.84 -114.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 2.4700000000000002 109.838 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.25 166.23 48.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.661 -1.376 . . . . 1.0600000000000001 109.661 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 129.03 40.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.361 -1.082 . . . . 1.6100000000000001 109.341 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 6.3 m-85 -91.74 153.44 19.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.96999999999999997 109.475 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -136.14 -171.08 2.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.59999999999999998 109.61 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.7 p -151.81 158.6 43.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 1.1000000000000001 109.183 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' D' ' 342' ' ' ARG . 12.6 tp -148.61 133.78 18.31 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.2 -0.937 . . . . 1.1000000000000001 109.545 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 2.9 tt0 -86.99 128.82 35.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.352 -0.843 . . . . 1.3600000000000001 109.368 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.408 HG22 ' CD2' ' B' ' 341' ' ' PHE . 39.0 mt -123.89 113.24 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 1.1699999999999999 109.447 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.51 42.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 2.79 109.732 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.63 132.21 6.92 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.864 -1.294 . . . . 0.47999999999999998 109.864 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 62.4 ttt180 -75.18 -58.16 3.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -1.191 . . . . 3.2200000000000002 109.587 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.7 -44.12 85.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 2.21 109.599 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -60.18 -42.41 94.95 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.127 -0.983 . . . . 3.5499999999999998 109.6 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.5 t80 -56.14 -55.93 27.02 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.438 -0.789 . . . . 0.52000000000000002 109.821 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -51.06 -37.55 46.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 1.6799999999999999 109.998 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.5 -48.76 78.14 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.86 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' HG22 ' B' ' 332' ' ' ILE . 29.3 m-85 -59.85 -52.02 67.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.037 -1.039 . . . . 0.33000000000000002 109.362 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.409 ' HA ' HD12 ' D' ' 330' ' ' LEU . 17.5 ttp180 -52.34 -38.68 59.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.481 -0.762 . . . . 3.02 109.824 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.75 -42.65 89.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.941 . . . . 1.75 109.886 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.92 -45.49 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 109.538 -179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -58.11 -43.75 87.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 1.21 109.632 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 3.3 mt-10 -63.01 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 1.6899999999999999 109.918 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.19 -52.21 66.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 1.0600000000000001 109.943 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.7 mt -60.66 -40.29 91.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 1.0800000000000001 109.516 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.56 -38.89 82.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.633 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.442 HD22 ' HG ' ' A' ' 350' ' ' LEU . 22.3 tp -63.91 -42.2 97.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 1.1399999999999999 109.536 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.4 ttmt -62.07 -45.89 91.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 2.1899999999999999 109.177 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.69 -30.75 65.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.755 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.29 81.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 1.3100000000000001 109.988 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.52 -10.83 58.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.3999999999999999 109.784 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.09 61.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 1.5700000000000001 109.368 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -11.44 74.57 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.636 -1.386 . . . . 1.53 109.636 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.47 165.28 15.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -1.231 . . . . 4.5800000000000001 109.362 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -49.11 134.97 15.38 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 5.6799999999999997 109.056 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -62.4 138.46 71.23 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.016 1.811 . . . . 6.0499999999999998 109.999 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 CA-C-O 118.048 -1.418 . . . . 7.2000000000000002 109.646 179.919 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.399 -0.593 . . . . 9.2200000000000006 109.399 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 14.3 tttm 60.55 76.89 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.326 -0.859 . . . . 8.5099999999999998 109.482 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 107.26 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 7.4199999999999999 109.057 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.12 -80.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 121.969 1.779 . . . . 5.0499999999999998 110.328 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 12.6 mt -79.33 107.33 12.02 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.174 -0.953 . . . . 5.1399999999999997 109.696 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -82.69 -114.69 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.835 . . . . 2.8500000000000001 109.717 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.28 166.38 48.23 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.559 -1.417 . . . . 1.27 109.559 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.44 129.24 41.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 2.1099999999999999 109.285 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 6.2 m-85 -91.84 153.25 19.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.937 . . . . 1.01 109.418 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.2 m-85 -135.82 -170.91 2.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.57999999999999996 109.484 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 13.4 p -151.95 158.42 43.11 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.309 -0.87 . . . . 1.1599999999999999 109.13 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -148.69 133.72 18.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.856 . . . . 1.1699999999999999 109.466 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.02 128.95 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.373 -0.829 . . . . 1.8100000000000001 109.364 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' C' ' 341' ' ' PHE . 39.2 mt -124.06 113.16 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 1.1299999999999999 109.523 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 148.3 42.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 2.8199999999999998 109.719 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.94 132.38 7.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.772 -1.331 . . . . 0.45000000000000001 109.772 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 62.5 ttt180 -75.14 -58.53 3.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -1.18 . . . . 3.0800000000000001 109.555 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -44.29 83.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 2.54 109.736 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.05 -42.62 94.86 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.308 -0.87 . . . . 4.1100000000000003 109.647 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -56.17 -55.8 28.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.354 -0.841 . . . . 0.56999999999999995 109.756 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.86 -37.81 45.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.908 . . . . 1.6599999999999999 110.073 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.41 -48.53 79.31 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.24 -0.912 . . . . 1.29 110.024 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' C' ' 332' ' ' ILE . 29.1 m-85 -60.03 -52.22 66.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.40000000000000002 109.324 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -52.2 -38.79 58.95 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.423 -0.798 . . . . 3.8500000000000001 109.75 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.76 -42.57 89.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.198 -0.939 . . . . 1.78 109.991 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.84 -45.73 92.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.227 -0.921 . . . . 1.1699999999999999 109.474 -179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.87 -43.63 86.12 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.2 109.762 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.15 -37.98 89.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.813 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.14 66.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.892 . . . . 1.0700000000000001 110.01 -179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.65 -40.44 92.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 1.1399999999999999 109.393 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.32 -38.86 81.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 2.0899999999999999 109.686 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 21.7 tp -64.07 -42.08 97.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 1.3799999999999999 109.595 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.09 -45.85 91.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.6800000000000002 109.18 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.82 -30.57 65.83 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.645 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.79 81.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.44 -0.787 . . . . 1.3 109.957 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -83.24 -10.75 58.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 1.8 109.79 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.131 -0.981 . . . . 1.47 109.445 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.72 -11.19 74.69 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.575 -1.41 . . . . 1.6599999999999999 109.575 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 165.11 15.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -1.164 . . . . 4.7800000000000002 109.478 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.97 135.06 14.49 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.129 -0.982 . . . . 6.1900000000000004 109.211 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.41 138.5 71.39 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.924 1.749 . . . . 6.1799999999999997 110.237 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.819 -1.312 . . . . 6.9000000000000004 109.819 -179.902 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 10.4 tttm . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.433 0.635 . . . . 7.6900000000000004 109.558 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 14.5 tttm 60.19 77.03 0.34 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.234 -0.916 . . . . 7.4500000000000002 109.417 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.98 107.35 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 6.8399999999999999 109.019 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.35 -80.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 121.833 1.689 . . . . 5.1200000000000001 110.426 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 107.52 12.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.959 -1.088 . . . . 4.6600000000000001 109.611 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -82.82 -114.85 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.86 . . . . 2.46 109.641 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.92 166.56 47.03 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.65 -1.38 . . . . 1.0800000000000001 109.65 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.64 129.36 41.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.349 -1.089 . . . . 1.6699999999999999 109.148 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 6.4 m-85 -91.84 153.44 19.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.01 109.393 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 83.7 m-85 -136.03 -171.03 2.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.425 -0.797 . . . . 0.63 109.579 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 13.4 p -152.17 158.05 42.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.416 -0.803 . . . . 1.1299999999999999 109.106 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 342' ' ' ARG . 12.5 tp -148.34 133.83 18.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 1.1000000000000001 109.561 -179.545 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -86.93 128.87 35.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.26 -0.9 . . . . 1.3700000000000001 109.427 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' D' ' 341' ' ' PHE . 39.2 mt -124.0 113.34 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.282 -0.886 . . . . 1.1499999999999999 109.468 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.37 42.51 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.348 -0.845 . . . . 2.77 109.692 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.67 132.52 7.06 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.774 -1.33 . . . . 0.42999999999999999 109.774 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 62.3 ttt180 -75.35 -58.51 3.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -1.073 . . . . 3.1200000000000001 109.528 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -44.47 84.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.394 -0.816 . . . . 2.2200000000000002 109.681 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.92 -42.47 94.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 3.5 109.756 -179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.5 t80 -56.16 -55.68 30.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.835 . . . . 0.5 109.804 -179.651 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -51.23 -37.62 47.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.6899999999999999 110.012 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -62.56 -48.48 79.3 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.157 -0.964 . . . . 1.1399999999999999 109.915 -179.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' D' ' 332' ' ' ILE . 29.2 m-85 -60.03 -52.25 66.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.32000000000000001 109.316 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.406 ' HA ' HD12 ' B' ' 330' ' ' LEU . 17.6 ttp180 -52.16 -38.74 58.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.337 -0.852 . . . . 2.96 109.827 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.65 -42.82 89.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.113 -0.992 . . . . 1.75 109.834 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.2 mt -61.67 -45.68 92.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.287 -0.883 . . . . 1.0800000000000001 109.605 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.93 -43.66 86.44 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.29 -0.881 . . . . 1.22 109.67 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.28 -37.94 89.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.73 109.862 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.23 -52.06 66.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 109.881 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.61 -40.55 92.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.1100000000000001 109.49 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.56 -38.7 81.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.355 -0.841 . . . . 1.9099999999999999 109.557 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.405 HD22 ' HG ' ' C' ' 350' ' ' LEU . 21.7 tp -63.94 -42.36 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.149 -0.969 . . . . 1.1699999999999999 109.503 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 14.4 ttmt -61.78 -46.08 91.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 2.1499999999999999 109.29 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.69 -30.88 65.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.579 -0.701 . . . . 1.4399999999999999 109.667 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.66 81.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.346 -0.846 . . . . 1.3 110.037 -179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.28 -10.71 58.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 1.3999999999999999 109.764 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -15.14 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 1.6000000000000001 109.357 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -11.28 74.82 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.62 -1.392 . . . . 1.5 109.62 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 165.28 15.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -1.18 . . . . 4.5499999999999998 109.492 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -49.09 135.0 15.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.205 -0.934 . . . . 5.6699999999999999 109.13 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.4 138.63 72.23 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.851 1.7 . . . . 6.1200000000000001 110.122 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.049 -1.417 . . . . 7.2699999999999996 109.743 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.28 0.562 . . . . 7.6600000000000001 109.538 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 14.4 mttp 58.09 24.01 10.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 7.5099999999999998 109.367 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.9 144.06 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 6.8099999999999996 109.489 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.28 -168.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.168 1.912 . . . . 5.1500000000000004 110.279 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.76 157.43 27.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 4.7000000000000002 109.417 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.88 3.68 19.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 2.48 109.969 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 125.3 19.29 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.433 -1.467 . . . . 1.0800000000000001 109.433 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.89 133.28 53.02 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.651 -0.911 . . . . 1.7 109.799 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.482 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 19.9 m-85 -94.93 154.87 17.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.204 -0.935 . . . . 1.04 108.892 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 87.6 m-85 -139.31 -172.73 3.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 0.65000000000000002 109.945 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 40.7 p -153.1 160.06 42.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.402 -0.811 . . . . 1.1399999999999999 109.085 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 10.2 tp -149.79 131.3 14.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.145 -0.972 . . . . 1.0900000000000001 109.663 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 41.3 tt0 -86.28 127.16 34.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.345 -0.847 . . . . 1.3700000000000001 109.442 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -124.12 112.68 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.169 -0.957 . . . . 1.1499999999999999 109.716 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.55 149.4 42.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 2.79 109.318 179.755 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.46 131.86 7.28 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.639 -1.384 . . . . 0.45000000000000001 109.639 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -74.01 -65.76 0.8 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.074 . . . . 3.1600000000000001 109.57 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.44 -39.05 82.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 2.2200000000000002 109.822 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -46.04 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.204 -0.935 . . . . 3.54 109.674 -179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.1 t80 -55.03 -55.68 28.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.825 . . . . 0.5 109.758 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.72 -33.96 24.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.935 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.36 -50.73 70.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 109.93 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.99 -48.47 81.67 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.233 -0.917 . . . . 0.34000000000000002 109.25 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -51.6 -38.12 53.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.439 -0.788 . . . . 2.9399999999999999 109.649 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.81 -48.4 81.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.188 -0.945 . . . . 1.74 109.604 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 71.0 mt -61.86 -33.32 73.98 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 108.69 179.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.84 -56.13 25.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.518 -0.739 . . . . 1.22 109.602 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.63 -30.46 71.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 1.72 109.896 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.33 33.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 1.0700000000000001 109.95 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.78 -33.52 73.1 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 1.0800000000000001 109.6 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.38 -40.17 95.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.948 . . . . 1.9099999999999999 109.771 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.3 tt -64.47 -49.48 71.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.666 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.449 ' HE2' ' HB3' ' B' ' 346' ' ' GLU . 0.2 OUTLIER -60.35 -39.16 86.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.924 . . . . 2.1400000000000001 108.835 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.69 -33.0 67.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.495 -0.558 . . . . 1.4299999999999999 109.495 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.27 87.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 1.3 109.075 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' B' ' 350' ' ' LEU . 9.1 mt-30 -83.47 -15.04 51.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -0.814 . . . . 1.4199999999999999 109.331 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.3 -91.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -0.875 . . . . 1.5800000000000001 109.044 179.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.14 106.97 2.93 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.101 -1.6 . . . . 1.54 109.101 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.38 148.73 26.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.247 -1.149 . . . . 4.5499999999999998 109.579 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.555 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.8 mt-10 -49.11 -55.6 20.12 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.302 -0.874 . . . . 5.71 109.672 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 3.3 Cg_exo -61.03 153.68 62.41 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.881 1.72 . . . . 6.0899999999999999 110.106 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.531 -1.428 . . . . 7.2400000000000002 109.531 -179.941 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.485 -0.561 . . . . 7.6699999999999999 109.485 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 321' ' ' LYS . 14.4 mttp 58.17 24.11 10.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 7.46 109.356 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 62.87 144.0 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 6.79 109.521 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.2 -168.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.201 1.934 . . . . 5.1500000000000004 110.239 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 157.39 27.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.257 -0.902 . . . . 4.6600000000000001 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.83 3.64 18.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.965 . . . . 2.4700000000000002 109.974 -179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 125.21 19.33 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.517 -1.433 . . . . 1.0600000000000001 109.517 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.83 133.26 53.06 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.636 -0.92 . . . . 1.6100000000000001 109.828 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 19.9 m-85 -94.83 154.82 17.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.96999999999999997 108.878 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.5 m-85 -139.39 -172.71 3.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.94 -1.1 . . . . 0.59999999999999998 109.923 -179.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.9 p -152.95 160.12 43.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.336 -0.852 . . . . 1.1000000000000001 109.186 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' D' ' 329' ' ' THR . 10.1 tp -149.87 131.31 14.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.206 -0.934 . . . . 1.1000000000000001 109.617 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.32 127.16 34.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 1.3600000000000001 109.423 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 34.3 mt -124.17 112.58 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 1.1699999999999999 109.703 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.503 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.32 42.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.79 109.289 179.821 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.53 131.96 7.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.586 -1.406 . . . . 0.47999999999999998 109.586 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.0 ttt180 -74.02 -65.69 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -1.14 . . . . 3.2200000000000002 109.672 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.42 -39.09 82.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.82 . . . . 2.21 109.864 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -45.91 91.14 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 3.5499999999999998 109.744 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.12 -55.58 29.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.316 -0.865 . . . . 0.52000000000000002 109.814 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.76 -33.94 25.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.6799999999999999 109.842 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.38 -50.73 70.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.235 -0.916 . . . . 1.1499999999999999 109.944 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -60.96 -48.59 81.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.33000000000000002 109.167 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.61 -38.15 53.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.817 . . . . 3.02 109.593 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.74 -48.44 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 1.75 109.631 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.9 -33.33 74.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 108.729 179.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.89 -56.11 25.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.494 -0.754 . . . . 1.21 109.559 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.449 ' HB3' ' HE2' ' A' ' 351' ' ' LYS . 15.6 tt0 -63.56 -30.58 71.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.868 . . . . 1.6899999999999999 109.87 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.97 -55.46 32.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 1.0600000000000001 109.939 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.75 -33.52 73.06 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.379 -0.826 . . . . 1.0800000000000001 109.633 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.41 -40.12 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 1.9299999999999999 109.868 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.416 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.3 tt -64.38 -49.57 71.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.316 -0.865 . . . . 1.1399999999999999 109.689 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -39.16 85.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 2.1899999999999999 108.92 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.63 -33.03 67.83 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.27 0.557 . . . . 1.4299999999999999 109.601 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.43 88.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.359 -0.838 . . . . 1.3100000000000001 109.191 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.53 -14.97 51.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.3999999999999999 109.31 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.27 -91.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 1.5700000000000001 109.021 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.07 106.92 2.92 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.12 -1.592 . . . . 1.53 109.12 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.41 148.61 26.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.257 -1.143 . . . . 4.5800000000000001 109.52 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.547 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 2.8 mt-10 -48.98 -55.66 19.41 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.305 -0.872 . . . . 5.6799999999999997 109.752 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -60.98 153.62 62.56 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.901 1.734 . . . . 6.0499999999999998 110.094 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 117.997 -1.446 . . . . 7.2000000000000002 109.545 -179.937 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.467 -0.568 . . . . 9.2200000000000006 109.467 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 321' ' ' LYS . 14.5 mttp 58.03 24.08 10.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 8.5099999999999998 109.446 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 62.95 143.98 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.371 -0.83 . . . . 7.4199999999999999 109.475 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.29 -168.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.093 1.862 . . . . 5.0499999999999998 110.287 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.76 157.49 27.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 5.1399999999999997 109.368 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.95 3.67 19.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 2.8500000000000001 109.858 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 125.13 19.39 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.539 -1.424 . . . . 1.27 109.539 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.7 133.19 53.15 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.623 -0.928 . . . . 2.1099999999999999 109.909 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -94.93 154.78 17.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.195 -0.941 . . . . 1.01 108.863 179.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.6 m-85 -139.27 -172.74 3.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.078 -1.014 . . . . 0.57999999999999996 109.978 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 40.8 p -152.99 160.09 42.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 1.1599999999999999 109.095 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 329' ' ' THR . 10.1 tp -149.82 131.41 14.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.1699999999999999 109.66 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.39 127.27 34.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 1.8100000000000001 109.392 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.1 mt -124.12 112.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.133 -0.979 . . . . 1.1299999999999999 109.689 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.513 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.0 OUTLIER -73.62 149.38 42.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.29 -0.881 . . . . 2.8199999999999998 109.279 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.52 131.95 7.3 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.593 -1.403 . . . . 0.45000000000000001 109.593 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.8 ttt180 -73.95 -65.85 0.78 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -1.155 . . . . 3.0800000000000001 109.607 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.35 -39.02 81.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 2.54 109.865 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.91 91.33 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.241 -0.912 . . . . 4.1100000000000003 109.705 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.8 t80 -55.05 -55.7 28.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.387 -0.82 . . . . 0.56999999999999995 109.71 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.71 -33.85 24.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.99 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -50.78 70.19 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.121 -0.987 . . . . 1.29 109.936 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.88 -48.49 81.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 0.40000000000000002 109.309 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.62 -38.19 53.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.444 -0.785 . . . . 3.8500000000000001 109.589 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.75 -48.34 82.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.216 -0.928 . . . . 1.78 109.709 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.93 -33.31 74.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 1.1699999999999999 108.788 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.81 -56.12 25.75 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.44 -0.788 . . . . 1.2 109.66 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.469 ' HB3' ' HE2' ' D' ' 351' ' ' LYS . 15.4 tt0 -63.58 -30.55 71.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 2.1200000000000001 109.917 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.35 33.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.287 -0.883 . . . . 1.0700000000000001 109.971 -179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.75 -33.6 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.351 -0.843 . . . . 1.1399999999999999 109.533 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -64.5 -40.06 94.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 2.0899999999999999 109.713 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.3 tt -64.42 -49.61 70.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.338 -0.851 . . . . 1.3799999999999999 109.681 -179.447 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.31 86.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 2.6800000000000002 108.865 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.63 -33.07 67.87 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-O 121.355 0.598 . . . . 1.3400000000000001 109.538 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.36 88.58 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 1.3 109.128 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.48 -15.03 51.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 1.8 109.323 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -91.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.16 -0.963 . . . . 1.47 109.086 179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.13 107.0 2.94 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.089 -1.605 . . . . 1.6599999999999999 109.089 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.49 148.76 26.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.3 -1.118 . . . . 4.7800000000000002 109.541 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.8 mt-10 -49.09 -55.62 19.98 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 6.1900000000000004 109.694 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 3.2 Cg_exo -60.97 153.58 62.74 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.03 1.82 . . . . 6.1799999999999997 110.134 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.986 -1.452 . . . . 6.9000000000000004 109.526 -179.946 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.46 -0.57 . . . . 7.6900000000000004 109.46 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 321' ' ' LYS . 14.4 mttp 58.16 24.04 10.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.184 -0.948 . . . . 7.4500000000000002 109.357 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 62.85 144.1 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 6.8399999999999999 109.518 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 -168.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.192 1.928 . . . . 5.1200000000000001 110.225 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.72 157.47 27.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 4.6600000000000001 109.346 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -79.93 3.7 19.09 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.259 -0.901 . . . . 2.46 109.983 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.84 125.27 19.22 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.482 -1.447 . . . . 1.0800000000000001 109.482 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.9 133.31 53.05 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.707 -0.878 . . . . 1.6699999999999999 109.788 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.46 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 19.5 m-85 -94.92 154.87 17.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.21 -0.931 . . . . 1.01 108.958 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.6 m-85 -139.32 -172.88 3.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.63 109.925 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.8 p -152.92 160.11 43.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 1.1299999999999999 109.208 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 10.1 tp -149.85 131.32 14.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.101 -1.0 . . . . 1.1000000000000001 109.661 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.34 127.16 34.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.398 -0.814 . . . . 1.3700000000000001 109.361 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.6 mt -124.05 112.58 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.182 -0.949 . . . . 1.1499999999999999 109.817 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.503 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.27 42.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -0.886 . . . . 2.77 109.378 179.772 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.54 131.9 7.28 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.42999999999999999 109.588 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttt180 -73.98 -65.7 0.81 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -1.069 . . . . 3.1200000000000001 109.656 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.45 -39.05 82.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.873 . . . . 2.2200000000000002 109.849 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.86 91.41 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.239 -0.913 . . . . 3.5 109.724 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.0 t80 -55.15 -55.64 28.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.5 109.74 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.74 -33.87 24.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 109.963 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.45 -50.62 70.75 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.926 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.01 -48.62 80.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.32000000000000001 109.146 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.49 -38.2 52.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 2.96 109.591 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.83 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 1.75 109.658 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.9 -33.26 73.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.244 -0.91 . . . . 1.0800000000000001 108.765 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -59.84 -56.21 24.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.459 -0.775 . . . . 1.22 109.633 179.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -63.52 -30.59 71.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.352 -0.842 . . . . 1.73 109.895 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -55.47 32.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 1.0700000000000001 109.888 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.82 -33.37 72.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 1.1100000000000001 109.626 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.49 -40.13 95.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.895 . . . . 1.9099999999999999 109.753 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 1.3 tt -64.47 -49.55 70.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.336 -0.852 . . . . 1.1699999999999999 109.65 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' C' ' 346' ' ' GLU . 0.2 OUTLIER -60.26 -39.27 86.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.224 -0.922 . . . . 2.1499999999999999 108.891 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.53 -33.03 67.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.79 -0.569 . . . . 1.4399999999999999 109.584 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.35 88.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.322 -0.862 . . . . 1.3 109.139 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -83.49 -14.94 51.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.391 -0.818 . . . . 1.3999999999999999 109.307 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.23 -91.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 1.6000000000000001 109.091 179.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.03 106.9 2.92 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.142 -1.583 . . . . 1.5 109.142 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.48 148.71 26.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -1.159 . . . . 4.5499999999999998 109.489 -179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.8 mt-10 -49.11 -55.65 19.88 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.933 . . . . 5.6699999999999999 109.702 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 3.1 Cg_exo -60.96 153.65 62.27 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.849 1.699 . . . . 6.1200000000000001 110.112 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.89 -1.506 . . . . 7.2699999999999996 109.515 -179.926 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.31 0.576 . . . . 7.6600000000000001 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.98 -90.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 7.5099999999999998 109.589 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.84 86.44 0.15 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.173 -0.954 . . . . 6.8099999999999996 109.304 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.79 -56.63 0.72 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.202 1.935 . . . . 5.1500000000000004 110.596 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.23 100.14 8.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 4.7000000000000002 109.828 -179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.85 -152.65 0.11 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 2.48 109.221 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.49 169.2 41.3 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.355 -1.498 . . . . 1.0800000000000001 109.355 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.7 131.71 51.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -1.233 . . . . 1.7 109.442 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 11.0 m-85 -93.7 155.25 17.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.117 -0.989 . . . . 1.04 109.582 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.3 -169.95 2.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.542 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 30.3 p -153.2 157.22 39.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 1.1399999999999999 109.432 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -148.7 133.19 17.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 1.0900000000000001 109.602 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 23.2 tt0 -85.83 127.86 34.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 1.3700000000000001 109.121 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 341' ' ' PHE . 65.5 mt -123.85 114.32 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.797 -179.843 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.497 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -74.13 149.51 40.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 2.79 109.358 179.64 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.79 133.61 7.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.751 -1.34 . . . . 0.45000000000000001 109.751 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.9 ttt180 -78.58 -58.21 3.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 3.1600000000000001 109.582 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.72 86.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 2.2200000000000002 109.629 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.63 -41.4 94.8 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.285 -0.884 . . . . 3.54 109.558 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 59.0 t80 -55.57 -56.07 24.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.324 -0.86 . . . . 0.5 109.943 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.28 -37.13 45.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 110.173 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.42 -47.77 80.56 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.177 -0.952 . . . . 1.1499999999999999 110.307 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' A' ' 332' ' ' ILE . 23.5 m-85 -61.1 -52.44 64.89 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.945 . . . . 0.34000000000000002 109.415 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.78 -39.63 53.02 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.436 -0.79 . . . . 2.9399999999999999 109.736 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.72 -43.26 94.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 1.74 109.999 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.19 -43.46 98.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 1.0700000000000001 109.531 -179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.13 -48.09 81.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 1.22 109.876 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.86 -34.34 75.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 1.72 109.844 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.07 79.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 1.0700000000000001 110.007 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.406 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 55.2 mt -61.47 -41.92 97.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 1.0800000000000001 109.731 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.79 -38.52 78.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.495 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.79 -42.79 97.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 109.795 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.64 -40.06 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.387 -0.82 . . . . 2.1400000000000001 109.198 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.15 -35.41 67.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.469 -0.769 . . . . 1.4299999999999999 109.588 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -49.76 63.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 1.3 109.57 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.93 0.8 33.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 1.4199999999999999 109.753 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.2 -82.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 1.5800000000000001 109.172 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.44 92.48 1.08 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.342 -1.503 . . . . 1.54 109.342 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 123.21 32.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.282 -1.128 . . . . 4.5499999999999998 109.555 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.08 158.93 1.11 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 5.71 109.471 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.74 135.16 54.56 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.225 1.95 . . . . 6.0899999999999999 110.235 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.94 -1.478 . . . . 7.2400000000000002 109.564 179.916 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.311 0.577 . . . . 7.6699999999999999 109.546 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 58.91 -90.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.296 -0.877 . . . . 7.46 109.662 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.81 86.39 0.15 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.207 -0.933 . . . . 6.79 109.37 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.7 -56.75 0.7 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.166 1.911 . . . . 5.1500000000000004 110.528 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.16 100.14 8.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 4.6600000000000001 109.876 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.89 -152.95 0.12 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.392 -0.818 . . . . 2.4700000000000002 109.157 179.612 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.27 169.32 40.24 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.37 -1.492 . . . . 1.0600000000000001 109.37 179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 131.73 51.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -1.153 . . . . 1.6100000000000001 109.37 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 10.9 m-85 -93.82 155.18 17.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.96999999999999997 109.498 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -139.16 -169.9 2.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.59999999999999998 109.533 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 30.1 p -153.18 157.03 39.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.929 . . . . 1.1000000000000001 109.416 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.53 133.22 17.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 1.1000000000000001 109.662 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.85 127.8 34.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.862 . . . . 1.3600000000000001 109.135 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' B' ' 341' ' ' PHE . 65.2 mt -123.86 114.36 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 1.1699999999999999 109.768 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.6 OUTLIER -74.14 149.3 41.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 2.79 109.418 179.664 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.9 133.33 7.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.776 -1.329 . . . . 0.47999999999999998 109.776 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.493 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.9 ttt180 -78.15 -58.39 3.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.334 -1.097 . . . . 3.2200000000000002 109.644 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.06 -42.66 85.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.965 . . . . 2.21 109.663 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.63 -41.43 94.86 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.334 -0.854 . . . . 3.5499999999999998 109.565 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.6 t80 -55.58 -56.08 24.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.41 -0.806 . . . . 0.52000000000000002 109.91 -179.824 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.38 -37.08 46.26 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.377 -0.827 . . . . 1.6799999999999999 110.141 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.78 80.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 110.291 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.456 ' CD2' HG22 ' B' ' 332' ' ' ILE . 23.2 m-85 -61.04 -52.55 64.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 0.33000000000000002 109.342 -179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.75 -39.71 52.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.864 . . . . 3.02 109.625 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.63 -43.33 93.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.35 -0.844 . . . . 1.75 109.97 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 75.3 mt -62.09 -43.49 98.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.567 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.12 -48.16 81.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.921 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.87 -34.24 75.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 1.6899999999999999 109.84 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.06 79.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 1.0600000000000001 109.977 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.472 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 55.6 mt -61.51 -41.88 97.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.665 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.92 -38.43 78.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.9299999999999999 109.422 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.82 -42.85 97.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 109.725 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.13 93.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.373 -0.829 . . . . 2.1899999999999999 109.14 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.06 -35.42 66.93 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.723 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.63 63.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 1.3100000000000001 109.598 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -80.92 0.74 34.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.3999999999999999 109.821 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 -82.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.167 -0.958 . . . . 1.5700000000000001 109.32 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.62 92.54 1.1 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.331 -1.508 . . . . 1.53 109.331 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 123.08 32.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 4.5800000000000001 109.571 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.92 158.85 1.07 Allowed Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.947 . . . . 5.6799999999999997 109.58 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.86 135.14 53.97 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.211 1.94 . . . . 6.0499999999999998 110.195 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.918 -1.49 . . . . 7.2000000000000002 109.552 179.951 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.295 0.569 . . . . 9.2200000000000006 109.518 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.87 -90.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 8.5099999999999998 109.644 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.75 86.35 0.16 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.938 . . . . 7.4199999999999999 109.41 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.65 -56.75 0.7 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.276 1.984 . . . . 5.0499999999999998 110.578 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.14 100.1 8.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.214 -0.929 . . . . 5.1399999999999997 109.882 -179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.91 -152.76 0.12 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.497 -0.752 . . . . 2.8500000000000001 109.203 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.34 169.24 40.64 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.367 -1.493 . . . . 1.27 109.367 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.77 131.62 51.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.171 -1.194 . . . . 2.1099999999999999 109.478 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 11.2 m-85 -93.69 155.33 17.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.238 -0.914 . . . . 1.01 109.481 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.7 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.57999999999999996 109.479 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 30.2 p -153.19 157.2 39.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 1.1599999999999999 109.382 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.62 133.21 17.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.661 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 23.3 tt0 -85.82 127.76 34.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.198 -0.939 . . . . 1.8100000000000001 109.236 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.441 HG22 ' CD2' ' C' ' 341' ' ' PHE . 65.0 mt -123.82 114.24 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 1.1299999999999999 109.804 -179.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.6 OUTLIER -74.06 149.45 41.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.388 -0.82 . . . . 2.8199999999999998 109.379 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.85 133.7 7.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.659 -1.376 . . . . 0.45000000000000001 109.659 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.9 ttt180 -78.61 -58.26 3.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 3.0800000000000001 109.593 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.67 86.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 2.54 109.661 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.52 -41.54 94.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.26 -0.9 . . . . 4.1100000000000003 109.597 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 329' ' ' THR . 59.1 t80 -55.53 -56.02 25.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.445 -0.784 . . . . 0.56999999999999995 109.952 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.41 -37.07 46.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 110.082 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -63.51 -47.7 80.62 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.112 -0.993 . . . . 1.29 110.274 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CD2' HG22 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.02 -52.46 64.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.40000000000000002 109.453 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.82 -39.6 53.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.317 -0.865 . . . . 3.8500000000000001 109.702 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.76 -43.39 94.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.78 109.897 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.11 -43.48 98.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.1699999999999999 109.512 -179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.07 -48.18 80.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 1.2 109.91 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.88 -34.28 75.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 2.1200000000000001 109.829 -179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.47 -48.95 79.66 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 1.0700000000000001 110.044 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.6 -41.85 98.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -0.857 . . . . 1.1399999999999999 109.692 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.83 -38.42 78.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.27 -0.894 . . . . 2.0899999999999999 109.533 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 13.4 tp -63.9 -42.85 97.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.21 -0.931 . . . . 1.3799999999999999 109.699 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.03 93.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.858 . . . . 2.6800000000000002 109.212 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.375 -0.828 . . . . 1.3400000000000001 109.754 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.63 63.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 1.3 109.632 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.512 ' NE2' HD22 ' D' ' 350' ' ' LEU . 1.1 mt-30 -81.01 0.81 34.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.238 -0.914 . . . . 1.8 109.739 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.11 -82.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 1.47 109.247 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.56 92.53 1.1 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.327 -1.509 . . . . 1.6599999999999999 109.327 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 123.09 32.16 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -1.119 . . . . 4.7800000000000002 109.555 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.04 158.88 1.1 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.138 -0.976 . . . . 6.1900000000000004 109.495 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.96 135.07 53.21 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.213 1.942 . . . . 6.1799999999999997 110.215 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.994 -1.448 . . . . 6.9000000000000004 109.54 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.275 0.559 . . . . 7.6900000000000004 109.58 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.77 -90.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 7.4500000000000002 109.629 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.81 86.44 0.15 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.193 -0.942 . . . . 6.8399999999999999 109.316 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.64 -56.77 0.7 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.245 1.964 . . . . 5.1200000000000001 110.622 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.16 100.03 8.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 4.6600000000000001 109.89 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.84 -152.7 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.306 -0.871 . . . . 2.46 109.215 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.39 169.52 40.32 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.286 -1.526 . . . . 1.0800000000000001 109.286 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.06 131.79 52.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -1.192 . . . . 1.6699999999999999 109.394 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 10.9 m-85 -93.85 155.24 17.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 1.01 109.462 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.63 109.548 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 30.2 p -153.14 156.94 39.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 1.1299999999999999 109.501 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.43 133.22 17.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.371 -0.831 . . . . 1.1000000000000001 109.681 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.79 127.75 34.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 1.3700000000000001 109.184 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.445 HG22 ' CD2' ' D' ' 341' ' ' PHE . 64.8 mt -123.69 114.38 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 1.1499999999999999 109.844 -179.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.6 OUTLIER -74.27 149.42 40.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.333 -0.855 . . . . 2.77 109.304 179.733 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.8 133.65 7.54 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.753 -1.339 . . . . 0.42999999999999999 109.753 179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.9 ttt180 -78.5 -58.27 3.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -1.159 . . . . 3.1200000000000001 109.624 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.18 -42.58 86.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.862 . . . . 2.2200000000000002 109.625 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.7 -41.52 95.36 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.291 -0.88 . . . . 3.5 109.522 -179.788 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.8 t80 -55.51 -56.05 24.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.409 -0.807 . . . . 0.5 109.977 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.31 -37.17 46.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 110.078 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.68 80.86 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.141 -0.975 . . . . 1.1399999999999999 110.279 -179.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.445 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.1 -52.47 64.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.944 . . . . 0.32000000000000001 109.417 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -50.7 -39.72 52.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 2.96 109.707 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.74 -43.25 94.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 1.75 109.991 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.14 -43.47 98.76 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 1.0800000000000001 109.541 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -58.18 -48.07 81.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 1.22 109.948 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.81 -34.38 75.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.941 . . . . 1.73 109.821 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.47 -49.02 79.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 109.935 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.58 -41.9 98.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 1.1100000000000001 109.611 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.75 -38.55 78.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.501 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.512 HD22 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -63.8 -42.76 97.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.315 -0.866 . . . . 1.1699999999999999 109.722 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 11.9 ttmm -61.75 -39.96 93.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -0.829 . . . . 2.1499999999999999 109.105 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.16 -35.55 67.3 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.52 -0.737 . . . . 1.4399999999999999 109.587 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.63 63.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 1.3 109.687 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.02 0.91 33.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 1.3999999999999999 109.73 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.31 -82.12 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.072 -1.018 . . . . 1.6000000000000001 109.2 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.53 92.53 1.09 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.296 -1.522 . . . . 1.5 109.296 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 123.12 32.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -1.154 . . . . 4.5499999999999998 109.55 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.04 158.93 1.09 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.936 . . . . 5.6699999999999999 109.535 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.87 135.06 53.48 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.271 1.981 . . . . 6.1200000000000001 110.18 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 CA-C-O 117.992 -1.449 . . . . 7.2699999999999996 109.565 179.905 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.268 0.556 . . . . 7.6600000000000001 109.516 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.68 80.19 0.21 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 7.5099999999999998 109.586 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.23 72.16 0.59 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 6.8099999999999996 109.773 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 119.74 6.98 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.189 1.926 . . . . 5.1500000000000004 110.06 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -81.27 112.39 18.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 4.7000000000000002 109.611 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 4.2 m-20 -80.77 -147.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 2.48 109.391 179.847 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.3 173.66 32.19 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.593 -1.403 . . . . 1.0800000000000001 109.593 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.9 134.18 56.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.286 -1.126 . . . . 1.7 109.561 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 41.7 m-85 -95.37 161.22 14.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.287 -0.883 . . . . 1.04 109.457 179.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.04 -168.72 2.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 0.65000000000000002 109.709 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.3 p -152.16 160.55 43.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 1.1399999999999999 109.411 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.72 129.87 14.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 1.0900000000000001 109.438 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 41.9 tt0 -86.41 129.64 34.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.348 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 341' ' ' PHE . 49.3 mt -123.76 116.68 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 1.1499999999999999 109.43 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 148.87 43.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.231 -0.918 . . . . 2.79 109.595 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 133.53 5.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.601 -1.399 . . . . 0.45000000000000001 109.601 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 49.3 ttt180 -79.27 -52.34 8.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.309 -1.112 . . . . 3.1600000000000001 109.496 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.672 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 8.7 tpp180 -62.46 -44.04 97.36 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.216 -0.928 . . . . 3.54 109.341 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.2 -48.86 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.362 -0.836 . . . . 0.5 109.51 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.25 42.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -0.852 . . . . 1.6599999999999999 109.653 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.481 ' SD ' ' CG ' ' D' ' 340' ' ' MET . 14.3 ttp -61.86 -47.41 85.14 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.178 -0.951 . . . . 1.1499999999999999 109.826 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' A' ' 332' ' ' ILE . 24.2 m-85 -61.41 -50.96 70.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 0.34000000000000002 109.308 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.28 -36.53 42.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.414 -0.804 . . . . 2.9399999999999999 109.716 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.2 -51.04 71.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.16 -0.962 . . . . 1.74 109.776 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.06 -32.97 72.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 108.947 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.4 -53.09 61.75 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.393 -0.817 . . . . 1.22 109.76 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.15 -36.85 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.377 -0.827 . . . . 1.72 110.157 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.79 -53.36 58.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 1.0700000000000001 110.218 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.467 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 66.4 mt -60.77 -40.74 93.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 1.0800000000000001 109.82 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.06 -35.42 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.288 -0.883 . . . . 1.9099999999999999 109.83 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -64.02 -45.95 86.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.1499999999999999 109.677 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.53 -48.13 80.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 2.1400000000000001 109.272 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -31.33 65.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.474 -0.766 . . . . 1.4299999999999999 109.536 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.75 80.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.3 109.627 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -84.81 -17.14 39.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.97 . . . . 1.4199999999999999 109.614 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.88 -12.24 60.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.177 -0.952 . . . . 1.5800000000000001 109.417 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 -55.4 2.51 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.886 -1.286 . . . . 1.54 109.886 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.32 102.08 13.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 4.5499999999999998 109.924 -179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.501 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 0.9 OUTLIER -51.52 172.6 0.15 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.254 -0.904 . . . . 5.71 109.244 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 2.8 Cg_endo -61.24 138.63 78.61 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.154 1.903 . . . . 6.0899999999999999 110.173 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 118.043 -1.421 . . . . 7.2400000000000002 109.589 179.961 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 8.8 mttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.511 -0.551 . . . . 7.6699999999999999 109.511 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 25.1 mttt 59.66 80.39 0.2 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 7.46 109.503 179.872 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.01 72.28 0.59 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.915 . . . . 6.79 109.765 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.29 119.86 7.15 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.135 1.89 . . . . 5.1500000000000004 110.021 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.2 112.38 18.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.163 -0.96 . . . . 4.6600000000000001 109.656 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 4.3 m-20 -80.87 -147.94 0.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.3 -0.875 . . . . 2.4700000000000002 109.362 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.19 173.52 32.04 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 1.0600000000000001 109.526 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.72 134.02 56.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.303 -1.116 . . . . 1.6100000000000001 109.664 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.25 161.3 14.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.96999999999999997 109.47 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.3 m-85 -140.11 -168.76 2.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.59999999999999998 109.606 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.4 p -152.22 160.35 43.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.332 -0.855 . . . . 1.1000000000000001 109.472 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.54 129.86 14.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 1.1000000000000001 109.518 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.39 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.829 . . . . 1.3600000000000001 109.348 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' B' ' 341' ' ' PHE . 49.1 mt -123.82 116.7 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.44 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 148.93 42.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.873 . . . . 2.79 109.62 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.33 133.5 5.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.664 -1.374 . . . . 0.47999999999999998 109.664 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.457 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 49.1 ttt180 -79.19 -52.5 8.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -1.141 . . . . 3.2200000000000002 109.424 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.08 -44.06 91.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.319 -0.863 . . . . 2.21 109.739 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 8.7 tpp180 -62.41 -44.05 97.37 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.273 -0.892 . . . . 3.5499999999999998 109.381 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.28 -48.79 73.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.373 -0.829 . . . . 0.52000000000000002 109.527 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -51.39 -36.21 42.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 1.6799999999999999 109.68 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -61.95 -47.34 85.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 1.1499999999999999 109.86 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.1 m-85 -61.32 -51.03 70.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.216 -0.927 . . . . 0.33000000000000002 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.25 -36.63 42.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 3.02 109.664 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -60.13 -51.16 70.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.095 -1.003 . . . . 1.75 109.711 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 21.2 mt -60.99 -32.84 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 1.0700000000000001 108.99 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -60.57 -53.03 62.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.478 -0.764 . . . . 1.21 109.772 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.0 -36.99 85.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 1.6899999999999999 110.178 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.73 -53.45 57.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 1.0600000000000001 110.175 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.452 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 66.1 mt -60.75 -40.73 93.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 1.0800000000000001 109.778 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -61.06 -35.51 77.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.206 -0.934 . . . . 1.9299999999999999 109.772 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.91 -46.02 86.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.264 -0.898 . . . . 1.1399999999999999 109.68 -179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.52 -48.21 80.56 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 2.1899999999999999 109.231 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -31.19 65.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.605 -0.684 . . . . 1.4299999999999999 109.541 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.71 80.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 1.3100000000000001 109.686 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -84.84 -17.16 38.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.249 -0.907 . . . . 1.3999999999999999 109.643 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.12 60.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.181 -0.949 . . . . 1.5700000000000001 109.403 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -55.47 2.49 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.905 -1.278 . . . . 1.53 109.905 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -86.23 102.01 13.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -1.124 . . . . 4.5800000000000001 110.016 -179.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.496 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 0.9 OUTLIER -51.47 172.62 0.14 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.317 -0.865 . . . . 5.6799999999999997 109.217 179.594 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.496 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 3.0 Cg_endo -61.29 138.67 78.55 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.119 1.879 . . . . 6.0499999999999998 110.031 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 118.008 -1.44 . . . . 7.2000000000000002 109.572 179.923 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 8.8 mttp . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.369 0.604 . . . . 9.2200000000000006 109.428 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 25.2 mttt 59.59 80.29 0.2 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.093 -1.004 . . . . 8.5099999999999998 109.566 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.21 72.18 0.59 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 7.4199999999999999 109.738 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.34 119.87 7.17 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.118 1.879 . . . . 5.0499999999999998 110.082 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.3 112.45 18.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -0.902 . . . . 5.1399999999999997 109.591 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 4.3 m-20 -80.83 -147.84 0.06 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.159 -0.963 . . . . 2.8500000000000001 109.405 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.31 173.65 32.25 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.52 -1.432 . . . . 1.27 109.52 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.92 134.12 56.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -1.163 . . . . 2.1099999999999999 109.617 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 42.0 m-85 -95.33 161.31 14.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.322 -0.861 . . . . 1.01 109.339 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.9 m-85 -140.13 -168.74 2.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 0.57999999999999996 109.618 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 9.2 p -152.23 160.6 43.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 1.1599999999999999 109.363 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.71 129.83 14.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.1699999999999999 109.466 -179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.42 129.57 34.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.8100000000000001 109.383 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' C' ' 341' ' ' PHE . 49.7 mt -123.72 116.73 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.226 -0.921 . . . . 1.1299999999999999 109.337 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 148.89 43.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 2.8199999999999998 109.557 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.44 133.49 5.87 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.601 -1.4 . . . . 0.45000000000000001 109.601 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 49.2 ttt180 -79.22 -52.4 8.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -1.146 . . . . 3.0800000000000001 109.494 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.06 -44.13 91.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.405 -0.81 . . . . 2.54 109.64 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 8.8 tpp180 -62.36 -44.11 97.23 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.855 . . . . 4.1100000000000003 109.317 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.7 t80 -55.16 -48.89 73.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -0.829 . . . . 0.56999999999999995 109.516 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.53 -36.01 43.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.413 -0.804 . . . . 1.6599999999999999 109.697 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.07 -47.28 85.38 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.206 -0.934 . . . . 1.29 109.79 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.478 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.43 -51.01 70.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.168 -0.957 . . . . 0.40000000000000002 109.249 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.19 -36.62 42.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.306 -0.871 . . . . 3.8500000000000001 109.766 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.19 -51.07 71.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 1.78 109.73 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 21.5 mt -61.11 -32.83 72.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 1.1699999999999999 108.898 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -60.62 -52.92 63.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.435 -0.791 . . . . 1.2 109.722 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.21 -36.86 85.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.826 . . . . 2.1200000000000001 110.176 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.42 58.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 110.139 -179.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.402 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 66.4 mt -60.69 -40.8 93.53 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.208 -0.932 . . . . 1.1399999999999999 109.748 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.04 -35.44 76.89 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.251 -0.906 . . . . 2.0899999999999999 109.905 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.97 -45.97 86.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.173 -0.954 . . . . 1.3799999999999999 109.735 -179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.46 -48.28 80.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 2.6800000000000002 109.156 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -31.21 65.08 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.515 -0.741 . . . . 1.3400000000000001 109.478 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.67 80.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 1.3 109.636 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -84.89 -17.14 38.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.16 -0.962 . . . . 1.8 109.643 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.86 -12.13 60.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.142 -0.974 . . . . 1.47 109.426 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.32 -55.26 2.51 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.835 -1.306 . . . . 1.6599999999999999 109.835 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.37 102.2 13.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.324 -1.104 . . . . 4.7800000000000002 109.971 -179.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.497 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 0.9 OUTLIER -51.57 172.62 0.15 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 6.1900000000000004 109.247 179.597 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.497 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 2.8 Cg_endo -61.24 138.64 78.63 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.185 1.923 . . . . 6.1799999999999997 110.169 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 118.005 -1.442 . . . . 6.9000000000000004 109.571 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 8.8 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.446 -0.575 . . . . 7.6900000000000004 109.446 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 25.2 mttt 59.52 80.42 0.2 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 7.4500000000000002 109.6 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.09 72.22 0.59 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 6.8399999999999999 109.723 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.24 119.75 7.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.245 1.963 . . . . 5.1200000000000001 110.062 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.8 mt -81.24 112.4 18.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 4.6600000000000001 109.592 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 4.2 m-20 -80.84 -147.86 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.206 -0.934 . . . . 2.46 109.463 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.65 32.13 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.537 -1.425 . . . . 1.0800000000000001 109.537 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.82 134.12 56.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -1.112 . . . . 1.6699999999999999 109.587 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.3 161.27 14.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.89 . . . . 1.01 109.381 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.7 m-85 -140.06 -168.66 2.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.221 -0.924 . . . . 0.63 109.662 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 9.6 p -152.33 160.45 43.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 1.1299999999999999 109.468 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.55 129.88 14.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 1.1000000000000001 109.41 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.34 129.66 34.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.905 . . . . 1.3700000000000001 109.282 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' D' ' 341' ' ' PHE . 48.5 mt -123.78 116.62 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 1.1499999999999999 109.475 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 148.91 43.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.77 109.567 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.34 133.55 5.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.731 -1.348 . . . . 0.42999999999999999 109.731 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 49.1 ttt180 -79.26 -52.44 8.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -1.108 . . . . 3.1200000000000001 109.417 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.03 -44.14 91.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.708 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.452 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 8.7 tpp180 -62.36 -44.16 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 3.5 109.324 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.3 t80 -55.23 -48.73 73.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.5 109.597 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.19 42.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 1.6899999999999999 109.701 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.481 ' CG ' ' SD ' ' A' ' 340' ' ' MET . 14.3 ttp -62.06 -47.29 85.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.223 -0.923 . . . . 1.1399999999999999 109.867 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD2' HG22 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.34 -50.96 70.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.847 . . . . 0.32000000000000001 109.377 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.24 -36.66 42.95 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.367 -0.833 . . . . 2.96 109.664 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.23 -50.99 71.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 1.75 109.715 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.15 -32.79 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 108.968 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -60.49 -53.12 61.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.41 -0.806 . . . . 1.22 109.765 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.04 -36.96 85.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 1.73 110.109 -179.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.8 -53.43 58.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.008 . . . . 1.0700000000000001 110.112 -179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.455 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 66.8 mt -60.78 -40.73 93.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 1.1100000000000001 109.692 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.14 -35.39 76.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 1.9099999999999999 109.821 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.97 -45.95 86.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.184 -0.947 . . . . 1.1699999999999999 109.725 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.62 -48.19 80.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 2.1499999999999999 109.14 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -31.27 65.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.546 -0.721 . . . . 1.4399999999999999 109.501 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -35.67 80.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.32 -0.863 . . . . 1.3 109.674 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -84.86 -17.15 38.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.184 -0.947 . . . . 1.3999999999999999 109.586 -179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.01 -12.0 60.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.129 -0.982 . . . . 1.6000000000000001 109.385 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.31 -55.28 2.51 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.848 -1.301 . . . . 1.5 109.848 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.39 102.18 13.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -1.137 . . . . 4.5499999999999998 109.927 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.499 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 0.9 OUTLIER -51.54 172.62 0.15 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 5.6699999999999999 109.236 179.552 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -61.31 138.54 77.6 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.116 1.878 . . . . 6.1200000000000001 110.199 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 118.025 -1.431 . . . . 7.2699999999999996 109.564 -179.995 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.451 ' CB ' ' HG3' ' A' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.304 0.574 . . . . 7.6600000000000001 109.528 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 16.3 mttt 63.86 23.71 13.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 7.5099999999999998 109.721 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 1.3 mttp 62.28 63.32 1.99 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 6.8099999999999996 109.949 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -64.57 93.63 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.015 1.81 . . . . 5.1500000000000004 109.88 179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.89 100.66 8.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 4.7000000000000002 109.915 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.8 -164.44 0.86 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.318 -0.864 . . . . 2.48 109.238 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.37 174.2 35.12 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.259 -1.536 . . . . 1.0800000000000001 109.259 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.41 134.59 56.76 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.105 -1.232 . . . . 1.7 109.289 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -92.59 153.43 19.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 1.04 109.574 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.7 m-85 -137.76 -163.39 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.65000000000000002 109.262 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.0 p -154.98 156.61 36.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 109.672 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -147.36 129.76 15.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.304 -0.872 . . . . 1.0900000000000001 109.299 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.43 134.78 33.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.3700000000000001 109.753 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.438 HD12 ' CB ' ' A' ' 341' ' ' PHE . 29.7 mt -123.64 115.47 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 1.1499999999999999 109.332 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 147.34 43.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 2.79 109.76 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 91.88 136.88 7.41 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.737 -1.345 . . . . 0.45000000000000001 109.737 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.7 ttm180 -73.59 -53.14 11.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -1.104 . . . . 3.1600000000000001 109.389 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.93 -42.13 84.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 2.2200000000000002 109.172 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.36 -46.97 82.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.409 -0.807 . . . . 3.54 109.755 -179.841 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.7 t80 -55.41 -55.79 27.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.46 -0.775 . . . . 0.5 109.747 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -50.85 -36.51 38.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 1.6599999999999999 110.002 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.4 -51.79 64.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.181 -0.949 . . . . 1.1499999999999999 110.393 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 332' ' ' ILE . 26.4 m-85 -60.76 -53.4 57.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.109 -0.994 . . . . 0.34000000000000002 109.436 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.466 ' CG ' ' NH1' ' A' ' 342' ' ' ARG . 0.3 OUTLIER -50.16 -34.77 23.58 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.422 -0.799 . . . . 2.9399999999999999 109.835 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -50.89 71.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.946 -1.096 . . . . 1.74 109.758 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.402 HD21 HD21 ' B' ' 344' ' ' LEU . 62.8 mt -61.64 -33.6 74.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.039 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.49 -54.59 43.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.388 -0.82 . . . . 1.22 109.908 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -63.82 -33.32 75.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.344 -0.847 . . . . 1.72 110.089 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' B' ' 347' ' ' ALA . . . -61.0 -54.11 49.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 109.838 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.21 -41.6 97.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 1.0800000000000001 109.423 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.6 -33.01 72.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 1.9099999999999999 109.383 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.7 -46.11 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.45 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 6.3 ttmm -61.55 -44.28 97.33 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 108.956 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.95 -32.5 66.08 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 1.4299999999999999 109.561 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -47.6 71.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.323 -0.861 . . . . 1.3 109.507 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -81.46 -1.62 46.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.371 -0.83 . . . . 1.4199999999999999 109.576 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -80.31 0.05 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.239 -0.913 . . . . 1.5800000000000001 109.578 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 49.83 4.25 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.631 -1.387 . . . . 1.54 109.631 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.459 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 12.9 tttt -87.09 120.08 27.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.136 -1.214 . . . . 4.5499999999999998 109.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.16 106.63 0.63 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.85 . . . . 5.71 109.514 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 1.8 Cg_endo -67.88 -3.03 9.7 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 122.041 1.827 . . . . 6.0899999999999999 110.788 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 CA-C-O 117.941 -1.477 . . . . 7.2400000000000002 109.544 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.447 ' CB ' ' HG3' ' B' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.25 0.548 . . . . 7.6699999999999999 109.529 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 16.4 mttt 63.81 23.81 13.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 7.46 109.675 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 1.3 mttp 62.12 63.44 2.04 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.247 -0.908 . . . . 6.79 110.022 179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.52 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.096 1.864 . . . . 5.1500000000000004 109.916 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.3 mt -80.77 100.78 8.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 4.6600000000000001 109.882 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.84 -164.28 0.84 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.397 -0.814 . . . . 2.4700000000000002 109.206 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.62 174.28 35.84 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.282 -1.527 . . . . 1.0600000000000001 109.282 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 134.14 56.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.109 -1.23 . . . . 1.6100000000000001 109.309 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.21 153.52 19.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.96999999999999997 109.635 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.0 m-85 -137.78 -163.35 1.43 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.249 -0.907 . . . . 0.59999999999999998 109.231 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.421 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.3 p -154.91 156.58 36.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.97 . . . . 1.1000000000000001 109.73 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.33 129.74 15.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 109.312 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.27 134.84 33.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 1.3600000000000001 109.802 -179.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.434 HD12 ' CB ' ' B' ' 341' ' ' PHE . 30.0 mt -123.71 115.57 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.1699999999999999 109.346 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 147.34 43.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 2.79 109.712 -179.774 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 91.95 136.79 7.4 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.769 -1.333 . . . . 0.47999999999999998 109.769 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttm180 -73.63 -53.01 11.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.407 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -42.0 84.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 2.21 109.108 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.46 -46.94 83.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.519 -0.738 . . . . 3.5499999999999998 109.832 -179.785 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -55.37 -55.76 27.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.356 -0.84 . . . . 0.52000000000000002 109.828 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.73 -36.54 36.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 1.6799999999999999 110.095 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.52 -51.71 64.33 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.386 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.434 ' CB ' HD12 ' B' ' 332' ' ' ILE . 26.3 m-85 -60.82 -53.32 58.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.074 -1.016 . . . . 0.33000000000000002 109.408 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.457 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.3 OUTLIER -50.22 -34.8 24.14 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.493 -0.754 . . . . 3.02 109.841 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.95 70.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.089 -1.007 . . . . 1.75 109.73 -179.647 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.402 HD21 HD21 ' A' ' 344' ' ' LEU . 62.5 mt -61.47 -33.75 74.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.903 . . . . 1.0700000000000001 109.024 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -60.4 -54.56 44.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.443 -0.786 . . . . 1.21 110.001 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 34.1 mm-40 -63.89 -33.42 75.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 1.6899999999999999 110.081 -179.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -61.0 -53.99 50.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 1.0600000000000001 109.852 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.2 -41.74 97.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.329 -0.857 . . . . 1.0800000000000001 109.388 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.41 -33.05 71.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.201 -0.937 . . . . 1.9299999999999999 109.452 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.8 -46.08 83.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.391 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.4 -44.39 97.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.376 -0.827 . . . . 2.1899999999999999 108.97 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.52 65.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.68 -0.638 . . . . 1.4299999999999999 109.578 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.63 71.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.406 -0.809 . . . . 1.3100000000000001 109.499 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -81.45 -1.56 46.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 1.3999999999999999 109.608 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -80.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.55 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 49.91 4.27 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.711 -1.356 . . . . 1.53 109.711 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.461 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 12.9 tttt -87.25 120.1 28.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.209 -1.171 . . . . 4.5800000000000001 109.451 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.06 106.6 0.62 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.332 -0.855 . . . . 5.6799999999999997 109.519 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 1.8 Cg_endo -67.92 -3.0 9.68 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 122.098 1.865 . . . . 6.0499999999999998 110.752 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 118.026 -1.43 . . . . 7.2000000000000002 109.54 -179.888 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.452 ' CB ' ' HG3' ' C' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.331 0.586 . . . . 9.2200000000000006 109.52 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 16.3 mttt 63.93 23.73 13.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 8.5099999999999998 109.613 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 1.3 mttp 62.23 63.4 2.0 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 7.4199999999999999 109.889 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.58 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.133 1.888 . . . . 5.0499999999999998 109.894 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -80.91 100.65 9.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 5.1399999999999997 109.86 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.68 -164.47 0.86 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.424 -0.798 . . . . 2.8500000000000001 109.222 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.49 174.26 35.44 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.266 -1.534 . . . . 1.27 109.266 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.37 134.5 56.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.192 -1.181 . . . . 2.1099999999999999 109.313 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -92.54 153.5 19.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 1.01 109.549 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.0 m-85 -137.77 -163.38 1.43 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.57999999999999996 109.247 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.4 p -154.93 156.65 36.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 1.1599999999999999 109.66 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -147.38 129.87 15.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 1.1699999999999999 109.253 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.44 134.77 33.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 1.8100000000000001 109.746 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.435 HD12 ' CB ' ' C' ' 341' ' ' PHE . 29.6 mt -123.63 115.6 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.314 -0.866 . . . . 1.1299999999999999 109.34 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.86 147.25 43.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 2.8199999999999998 109.717 -179.807 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 91.89 136.85 7.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.824 -1.31 . . . . 0.45000000000000001 109.824 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 21.8 ttm180 -73.59 -53.07 11.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.196 . . . . 3.0800000000000001 109.374 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.02 -41.99 84.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.54 109.182 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.501 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.45 -46.99 82.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 4.1100000000000003 109.738 -179.802 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.34 -55.78 27.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.56999999999999995 109.751 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.88 -36.52 38.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 109.974 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.33 -51.82 64.41 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.091 -1.006 . . . . 1.29 110.38 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.435 ' CB ' HD12 ' C' ' 332' ' ' ILE . 26.5 m-85 -60.84 -53.28 59.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.103 -0.998 . . . . 0.40000000000000002 109.385 -179.569 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.451 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.31 -34.72 24.6 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.4 -0.813 . . . . 3.8500000000000001 109.88 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -50.96 70.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.027 -1.046 . . . . 1.78 109.78 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.49 -33.71 74.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.248 -0.908 . . . . 1.1699999999999999 109.097 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.41 -54.62 43.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.455 -0.778 . . . . 1.2 109.941 179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 34.0 mm-40 -63.79 -33.41 75.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 2.1200000000000001 110.07 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -54.06 49.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.745 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.07 -41.76 97.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.311 -0.868 . . . . 1.1399999999999999 109.511 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.53 -32.95 71.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.457 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.78 -46.03 83.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 1.3799999999999999 109.457 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.58 -44.2 97.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.416 -0.802 . . . . 2.6800000000000002 108.947 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.97 -32.59 66.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.539 -0.726 . . . . 1.3400000000000001 109.512 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -47.82 71.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 1.3 109.489 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -81.42 -1.52 45.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 1.8 109.622 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.5 -80.33 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 1.47 109.519 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.79 4.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.741 -1.344 . . . . 1.6599999999999999 109.741 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.466 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 13.0 tttt -87.11 120.09 28.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.138 -1.213 . . . . 4.7800000000000002 109.457 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.03 106.62 0.62 Allowed Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 6.1900000000000004 109.597 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 1.8 Cg_endo -67.95 -3.0 9.71 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.079 1.852 . . . . 6.1799999999999997 110.687 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 CA-C-O 117.964 -1.465 . . . . 6.9000000000000004 109.518 -179.879 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.449 ' CB ' ' HG3' ' D' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.284 0.564 . . . . 7.6900000000000004 109.58 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 16.3 mttt 63.88 23.84 13.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 7.4500000000000002 109.652 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 1.3 mttp 62.15 63.44 2.02 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.215 -0.928 . . . . 6.8399999999999999 109.876 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.59 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.125 1.884 . . . . 5.1200000000000001 109.899 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.1 mt -80.86 100.66 8.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.118 -0.989 . . . . 4.6600000000000001 109.862 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.88 -164.42 0.86 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.464 -0.772 . . . . 2.46 109.233 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.34 174.22 34.99 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.265 -1.534 . . . . 1.0800000000000001 109.265 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.41 134.53 56.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.211 -1.17 . . . . 1.6699999999999999 109.286 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -92.43 153.49 19.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 1.01 109.57 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.9 m-85 -137.82 -163.31 1.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.63 109.305 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 20.2 p -154.9 156.81 36.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 1.1299999999999999 109.615 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -147.56 129.73 15.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 1.1000000000000001 109.318 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.35 134.96 33.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -0.872 . . . . 1.3700000000000001 109.73 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.436 HD12 ' CB ' ' D' ' 341' ' ' PHE . 30.7 mt -123.85 115.65 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 1.1499999999999999 109.29 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.76 147.38 43.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 2.77 109.746 -179.814 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 91.79 136.93 7.39 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.752 -1.339 . . . . 0.42999999999999999 109.752 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 21.6 ttm180 -73.55 -53.17 11.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -1.149 . . . . 3.1200000000000001 109.374 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -41.92 84.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 2.2200000000000002 109.248 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.42 -46.96 82.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.469 -0.77 . . . . 3.5 109.732 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.7 t80 -55.46 -55.69 28.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.513 -0.742 . . . . 0.5 109.825 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.77 -36.59 37.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 1.6899999999999999 110.068 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.43 -51.65 64.82 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.12 -0.987 . . . . 1.1399999999999999 110.369 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CB ' HD12 ' D' ' 332' ' ' ILE . 26.5 m-85 -60.86 -53.35 58.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.32000000000000001 109.412 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.435 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.15 -34.86 23.71 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.429 -0.795 . . . . 2.96 109.841 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.97 70.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.039 . . . . 1.75 109.672 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.49 -33.7 74.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.215 -0.928 . . . . 1.0800000000000001 109.038 179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.54 -54.54 44.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.466 -0.771 . . . . 1.22 109.898 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.88 -33.3 75.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.73 110.049 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.18 48.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 1.0700000000000001 109.757 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.1 -41.59 96.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.378 -0.826 . . . . 1.1100000000000001 109.473 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.7 -32.91 72.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.9099999999999999 109.445 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.8 -46.12 83.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.883 . . . . 1.1699999999999999 109.376 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 6.3 ttmm -61.48 -44.33 97.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.449 -0.782 . . . . 2.1499999999999999 108.943 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.583 -0.698 . . . . 1.4399999999999999 109.528 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.336 -0.852 . . . . 1.3 109.43 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -81.37 -1.69 46.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.233 -0.917 . . . . 1.3999999999999999 109.587 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.49 -80.35 0.05 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.6000000000000001 109.492 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 49.8 4.26 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.72 -1.352 . . . . 1.5 109.72 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 12.9 tttt -87.12 120.05 27.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.158 -1.201 . . . . 4.5499999999999998 109.44 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.99 106.58 0.62 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.863 . . . . 5.6699999999999999 109.61 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 1.9 Cg_endo -67.9 -3.11 9.88 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 122.176 1.917 . . . . 6.1200000000000001 110.694 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.987 -1.452 . . . . 7.2699999999999996 109.592 -179.904 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.43 -0.582 . . . . 7.6600000000000001 109.43 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.23 -150.47 0.44 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.945 . . . . 7.5099999999999998 109.316 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 102.53 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 6.8099999999999996 109.615 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -68.01 0.1 4.85 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 122.188 1.925 . . . . 5.1500000000000004 111.033 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 323' ' ' LEU . 7.6 mt -81.13 6.3 14.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.809 -1.182 . . . . 4.7000000000000002 109.76 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -80.23 -160.75 0.31 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.883 . . . . 2.48 109.461 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 160.01 52.6 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.569 -1.413 . . . . 1.0800000000000001 109.569 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.74 135.78 57.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -1.143 . . . . 1.7 109.443 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.78 158.64 15.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 1.04 109.584 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 77.6 m-85 -138.65 -167.0 2.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.65000000000000002 109.641 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 1.6 p -153.57 157.75 40.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.168 -0.957 . . . . 1.1399999999999999 109.564 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.9 tp -149.26 131.62 15.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 1.0900000000000001 109.485 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.8 tt0 -86.58 131.49 34.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 1.3700000000000001 109.4 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.6 mt -123.92 119.29 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 1.1499999999999999 109.57 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.43 148.82 42.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.314 -0.866 . . . . 2.79 109.498 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.41 136.01 6.34 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.771 -1.332 . . . . 0.45000000000000001 109.771 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -80.76 -51.5 8.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -1.156 . . . . 3.1600000000000001 109.496 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.26 -47.7 82.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 2.2200000000000002 109.438 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.7 -42.58 97.47 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.29 -0.881 . . . . 3.54 109.558 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.7 t80 -54.49 -57.24 12.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.433 -0.792 . . . . 0.5 109.544 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.49 -34.6 36.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 1.6599999999999999 109.631 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.59 -49.28 73.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 110.098 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.99 -52.56 64.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.163 -0.96 . . . . 0.34000000000000002 109.258 -179.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.48 -39.86 49.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.9399999999999999 109.704 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.43 -43.84 98.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.942 . . . . 1.74 110.014 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.0 mt -61.64 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.397 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.81 -49.62 76.03 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.374 -0.829 . . . . 1.22 109.685 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.453 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.72 110.01 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.84 -53.59 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.106 -0.996 . . . . 1.0700000000000001 109.986 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.455 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 30.0 mt -60.89 -42.66 98.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.635 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.2 -34.26 73.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 1.9099999999999999 109.614 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.411 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 2.0 tt -64.51 -45.97 84.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 1.1499999999999999 109.409 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.06 -43.99 97.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.542 -0.724 . . . . 2.1400000000000001 109.188 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -37.63 73.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.514 -0.741 . . . . 1.4299999999999999 109.741 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.05 67.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 1.3 109.522 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.22 -12.75 56.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.4199999999999999 109.384 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.26 -6.89 46.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.218 -0.926 . . . . 1.5800000000000001 109.569 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 0.4 88.59 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.65 -1.38 . . . . 1.54 109.65 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 32.5 0.68 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.226 -1.161 . . . . 4.5499999999999998 109.937 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.561 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 0.3 OUTLIER -49.57 -54.5 30.3 Favored Pre-proline 0 N--CA 1.488 1.458 0 O-C-N 121.079 -1.013 . . . . 5.71 109.818 179.641 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 4.7 Cg_exo -60.41 161.99 18.8 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 121.885 1.723 . . . . 6.0899999999999999 110.253 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.006 -1.441 . . . . 7.2400000000000002 109.533 179.942 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.388 -0.597 . . . . 7.6699999999999999 109.388 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 58.18 -150.37 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.155 -0.965 . . . . 7.46 109.425 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.99 102.55 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.23 -0.918 . . . . 6.79 109.555 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.03 0.12 4.84 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.213 1.942 . . . . 5.1500000000000004 111.01 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.436 ' N ' HD21 ' B' ' 323' ' ' LEU . 7.6 mt -81.22 6.32 14.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.867 -1.146 . . . . 4.6600000000000001 109.744 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.18 -160.85 0.31 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.267 -0.896 . . . . 2.4700000000000002 109.562 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 160.08 52.13 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.663 -1.375 . . . . 1.0600000000000001 109.663 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.82 135.74 57.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.167 -1.196 . . . . 1.6100000000000001 109.451 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -93.66 158.64 15.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.96999999999999997 109.633 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.1 m-85 -138.61 -167.01 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.917 . . . . 0.59999999999999998 109.546 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.6 p -153.59 157.7 40.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -0.989 . . . . 1.1000000000000001 109.543 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.0 tp -149.27 131.61 15.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.399 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.7 tt0 -86.68 131.56 34.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.385 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -123.85 119.3 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 1.1699999999999999 109.575 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.47 148.61 43.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.243 -0.911 . . . . 2.79 109.53 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.67 136.02 6.47 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.67 -1.372 . . . . 0.47999999999999998 109.67 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.58 8.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -1.082 . . . . 3.2200000000000002 109.538 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -47.78 82.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 2.21 109.458 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.61 -42.67 97.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.317 -0.865 . . . . 3.5499999999999998 109.541 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' D' ' 329' ' ' THR . 44.8 t80 -54.53 -57.2 12.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.429 -0.794 . . . . 0.52000000000000002 109.517 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -51.35 -34.65 34.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.6799999999999999 109.742 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.57 -49.35 73.74 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.252 -0.905 . . . . 1.1499999999999999 110.092 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -60.92 -52.6 64.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.33000000000000002 109.244 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.54 -39.95 50.52 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.359 -0.838 . . . . 3.02 109.539 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.33 -43.91 98.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.127 -0.983 . . . . 1.75 109.981 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.7 mt -61.57 -43.34 99.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.456 -179.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.9 -49.56 76.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.367 -0.833 . . . . 1.21 109.655 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.345 -0.847 . . . . 1.6899999999999999 110.029 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.8 -53.58 55.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 1.0600000000000001 110.049 -179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.96 -42.72 98.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.579 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.1 -34.22 73.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 1.9299999999999999 109.651 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.403 HD22 ' O ' ' B' ' 350' ' ' LEU . 2.0 tt -64.62 -45.91 84.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.85 . . . . 1.1399999999999999 109.487 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.9 97.86 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.434 -0.791 . . . . 2.1899999999999999 109.189 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -37.66 73.24 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.452 -0.78 . . . . 1.4299999999999999 109.688 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.06 67.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 1.3100000000000001 109.495 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.24 -12.65 56.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.3999999999999999 109.468 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -6.93 46.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.199 -0.938 . . . . 1.5700000000000001 109.483 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.34 88.59 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.693 -1.363 . . . . 1.53 109.693 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 32.31 0.68 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.187 -1.184 . . . . 4.5800000000000001 109.963 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.3 OUTLIER -49.55 -54.47 30.51 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 5.6799999999999997 109.79 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 4.7 Cg_exo -60.51 162.02 19.04 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.922 1.748 . . . . 6.0499999999999998 110.284 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 118.034 -1.426 . . . . 7.2000000000000002 109.556 -179.928 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.435 ' O ' ' CG ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.396 -0.594 . . . . 9.2200000000000006 109.396 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.19 -150.42 0.44 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 8.5099999999999998 109.332 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.01 102.67 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.256 -0.903 . . . . 7.4199999999999999 109.573 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.12 0.14 4.87 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.091 1.861 . . . . 5.0499999999999998 111.05 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.412 ' N ' HD21 ' C' ' 323' ' ' LEU . 7.6 mt -81.21 6.36 14.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.848 -1.157 . . . . 5.1399999999999997 109.747 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -80.18 -160.77 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 2.8500000000000001 109.525 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 160.12 52.38 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.561 -1.415 . . . . 1.27 109.561 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.9 135.73 57.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.185 -1.185 . . . . 2.1099999999999999 109.519 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -93.7 158.69 15.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 1.01 109.506 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.3 m-85 -138.67 -167.02 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.908 . . . . 0.57999999999999996 109.586 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 1.6 p -153.66 157.63 39.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.228 -0.92 . . . . 1.1599999999999999 109.487 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -149.16 131.65 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.474 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.52 131.5 34.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.928 . . . . 1.8100000000000001 109.365 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -123.95 119.34 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.935 . . . . 1.1299999999999999 109.583 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 148.69 42.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.151 -0.968 . . . . 2.8199999999999998 109.487 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.53 136.09 6.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.76 -1.336 . . . . 0.45000000000000001 109.76 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -80.7 -51.69 8.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.294 -1.121 . . . . 3.0800000000000001 109.539 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.13 -47.66 82.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.291 -0.88 . . . . 2.54 109.509 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.455 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttm180 -60.78 -42.55 97.75 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.313 -0.867 . . . . 4.1100000000000003 109.602 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 329' ' ' THR . 44.4 t80 -54.68 -57.15 12.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.355 -0.84 . . . . 0.56999999999999995 109.465 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.39 -34.6 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.695 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.63 -49.25 74.0 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.351 -0.843 . . . . 1.29 110.095 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.01 -52.61 64.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.40000000000000002 109.226 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.39 -39.97 48.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -0.764 . . . . 3.8500000000000001 109.667 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.47 -43.7 98.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.78 110.033 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.1 mt -61.68 -43.36 99.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 1.1699999999999999 109.407 -179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.87 -49.58 76.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 1.2 109.674 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.8 -31.98 73.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 2.1200000000000001 110.068 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.79 -53.67 54.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.151 -0.968 . . . . 1.0700000000000001 110.007 -179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.82 -42.79 98.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 1.1399999999999999 109.559 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.18 -34.24 73.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 2.0899999999999999 109.612 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 2.0 tt -64.6 -45.94 84.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.915 . . . . 1.3799999999999999 109.43 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.456 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.99 97.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.533 -0.729 . . . . 2.6800000000000002 109.179 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -37.57 73.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.548 -0.72 . . . . 1.3400000000000001 109.734 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -26.96 66.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 1.3 109.55 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -83.26 -12.62 56.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.194 -0.942 . . . . 1.8 109.589 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -6.77 45.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.33 -0.856 . . . . 1.47 109.45 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 0.28 88.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.725 -1.35 . . . . 1.6599999999999999 109.725 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 32.42 0.68 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -1.213 . . . . 4.7800000000000002 109.897 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.564 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 0.3 OUTLIER -49.68 -54.45 31.28 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.114 -0.991 . . . . 6.1900000000000004 109.766 179.724 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 4.7 Cg_exo -60.36 161.95 18.76 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.962 1.775 . . . . 6.1799999999999997 110.276 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 117.954 -1.47 . . . . 6.9000000000000004 109.592 -179.969 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.393 -0.595 . . . . 7.6900000000000004 109.393 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.23 -150.43 0.44 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 7.4500000000000002 109.349 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.99 102.55 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 6.8399999999999999 109.626 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.01 0.13 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.195 1.93 . . . . 5.1200000000000001 110.945 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.423 ' N ' HD21 ' D' ' 323' ' ' LEU . 7.7 mt -81.27 6.35 14.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.818 -1.176 . . . . 4.6600000000000001 109.657 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -80.06 -160.91 0.31 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 2.46 109.521 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.85 160.02 52.35 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.669 -1.372 . . . . 1.0800000000000001 109.669 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.76 135.69 57.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.382 -1.069 . . . . 1.6699999999999999 109.46 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.64 158.69 15.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.174 -0.954 . . . . 1.01 109.569 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.2 m-85 -138.64 -167.03 2.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.63 109.653 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.6 p -153.57 157.71 40.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.935 . . . . 1.1299999999999999 109.58 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.9 tp -149.21 131.6 15.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.435 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.7 tt0 -86.61 131.5 34.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.915 . . . . 1.3700000000000001 109.409 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mt -123.89 119.35 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -0.928 . . . . 1.1499999999999999 109.552 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.46 148.67 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.77 109.579 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.56 136.05 6.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.762 -1.335 . . . . 0.42999999999999999 109.762 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.67 8.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -1.182 . . . . 3.1200000000000001 109.494 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.18 -47.66 82.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.457 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.76 -42.53 97.64 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.376 -0.828 . . . . 3.5 109.572 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.5 t80 -54.59 -57.18 12.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.5 109.495 -179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.37 -34.63 35.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 1.6899999999999999 109.781 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.63 -49.35 73.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.19 -0.944 . . . . 1.1399999999999999 110.079 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.222 -0.924 . . . . 0.32000000000000001 109.189 -179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.36 -40.06 48.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.404 -0.81 . . . . 2.96 109.638 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.35 -43.88 98.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.75 110.023 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.56 -43.35 99.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 1.0800000000000001 109.501 -179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.92 -49.47 76.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 1.22 109.648 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.456 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -32.05 73.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.297 -0.877 . . . . 1.73 109.972 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.71 54.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 110.006 -179.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.88 -42.62 98.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.1100000000000001 109.61 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.33 -34.1 73.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 1.9099999999999999 109.562 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 2.0 tt -64.7 -45.84 84.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.415 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.18 -43.86 97.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.461 -0.774 . . . . 2.1499999999999999 109.163 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -37.66 73.36 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.596 -0.69 . . . . 1.4399999999999999 109.581 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.12 67.11 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 1.3 109.495 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -83.2 -12.61 56.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.239 -0.913 . . . . 1.3999999999999999 109.595 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -7.01 47.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.959 . . . . 1.6000000000000001 109.489 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.18 0.29 88.79 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.679 -1.369 . . . . 1.5 109.679 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 32.38 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.077 -1.249 . . . . 4.5499999999999998 109.92 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.556 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 0.3 OUTLIER -49.71 -54.46 31.36 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.078 -1.013 . . . . 5.6699999999999999 109.738 179.765 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 4.8 Cg_exo -60.4 161.93 18.93 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.931 1.754 . . . . 6.1200000000000001 110.357 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.542 -1.423 . . . . 7.2699999999999996 109.542 -179.996 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 321' ' ' LYS . 17.3 mttt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.553 -0.536 . . . . 7.6600000000000001 109.553 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.75 -89.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 7.5099999999999998 109.5 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.431 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 8.3 mttt 64.58 64.16 1.17 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 6.8099999999999996 109.702 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.3 Cg_exo -60.6 170.21 4.64 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.201 1.934 . . . . 5.1500000000000004 110.121 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 mt -80.59 109.28 14.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.196 -0.94 . . . . 4.7000000000000002 109.469 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.42 -170.61 2.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.916 . . . . 2.48 109.453 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.39 164.81 47.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.497 -1.441 . . . . 1.0800000000000001 109.497 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.46 130.84 48.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 1.7 109.552 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 13.0 m-85 -93.33 156.86 16.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.94 . . . . 1.04 109.394 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.7 m-85 -139.47 -169.84 2.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.65000000000000002 109.584 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 73.7 p -153.55 158.56 41.42 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.877 . . . . 1.1399999999999999 109.442 -179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' C' ' 329' ' ' THR . 18.7 tp -149.52 133.91 17.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 1.0900000000000001 109.601 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.92 126.58 34.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.883 . . . . 1.3700000000000001 109.224 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.1 mt -123.71 111.05 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.141 -0.974 . . . . 1.1499999999999999 109.62 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.3 40.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.29 -0.881 . . . . 2.79 109.456 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.21 130.0 6.63 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.771 -1.332 . . . . 0.45000000000000001 109.771 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.97 1.33 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -1.096 . . . . 3.1600000000000001 109.504 179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.64 87.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.384 -0.823 . . . . 2.2200000000000002 109.669 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.433 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 3.3 ttt180 -60.53 -43.52 97.08 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.257 -0.902 . . . . 3.54 109.667 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 36.1 t80 -55.07 -56.31 21.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.5 109.633 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -51.15 -33.05 25.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 1.6599999999999999 109.868 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.15 -50.04 71.96 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.178 -0.951 . . . . 1.1499999999999999 110.04 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.23 -47.6 85.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.938 . . . . 0.34000000000000002 109.171 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.06 -42.24 62.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.381 -0.824 . . . . 2.9399999999999999 109.854 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.57 -40.96 93.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 1.74 110.025 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.36 -46.0 90.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.484 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -58.19 -47.13 84.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.894 . . . . 1.22 109.831 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -33.98 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.305 -0.872 . . . . 1.72 109.935 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.89 67.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 1.0700000000000001 110.076 -179.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.32 -41.83 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.846 . . . . 1.0800000000000001 109.72 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.67 -37.29 78.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.783 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 15.9 tp -64.31 -45.25 88.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 1.1499999999999999 109.659 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.54 -36.57 80.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 2.1400000000000001 108.951 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -56.52 -36.36 69.12 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.409 -0.807 . . . . 1.4299999999999999 109.465 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.09 87.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.386 -0.821 . . . . 1.3 109.475 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.4 -0.35 41.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 1.4199999999999999 109.588 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.28 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.247 -0.908 . . . . 1.5800000000000001 109.543 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 57.94 4.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.882 -1.287 . . . . 1.54 109.882 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.01 128.5 35.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -1.196 . . . . 4.5499999999999998 109.404 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.75 164.39 0.42 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 5.71 109.629 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.79 140.74 92.21 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.282 1.988 . . . . 6.0899999999999999 110.252 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.508 -1.437 . . . . 7.2400000000000002 109.508 -179.994 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 321' ' ' LYS . 17.3 mttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.257 0.551 . . . . 7.6699999999999999 109.541 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.64 -89.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 7.46 109.486 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 8.3 mttt 64.45 64.22 1.2 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.219 -0.925 . . . . 6.79 109.742 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.4 Cg_exo -60.63 170.16 4.72 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.298 1.999 . . . . 5.1500000000000004 110.062 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.47 109.2 14.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 4.6600000000000001 109.47 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -79.47 -170.75 2.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 2.4700000000000002 109.39 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.428 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.17 164.88 46.81 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.532 -1.427 . . . . 1.0600000000000001 109.532 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.67 130.89 49.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -1.151 . . . . 1.6100000000000001 109.476 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 13.0 m-85 -93.43 156.76 16.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 0.96999999999999997 109.367 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.59999999999999998 109.525 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.9 p -153.41 158.43 41.43 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 1.1000000000000001 109.536 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.0 tp -149.41 134.01 17.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.532 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.88 126.52 34.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.166 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 49.9 mt -123.67 110.95 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.119 -0.988 . . . . 1.1699999999999999 109.71 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.35 152.19 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.226 -0.922 . . . . 2.79 109.452 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.29 130.03 6.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.807 -1.317 . . . . 0.47999999999999998 109.807 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.98 1.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -1.132 . . . . 3.2200000000000002 109.504 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.73 87.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.456 -0.778 . . . . 2.21 109.694 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.43 -43.62 96.6 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.261 -0.899 . . . . 3.5499999999999998 109.69 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 35.8 t80 -55.09 -56.14 23.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.52000000000000002 109.734 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.33 -32.9 26.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.333 -0.855 . . . . 1.6799999999999999 109.904 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.26 -49.95 72.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 110.096 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.18 -47.68 85.06 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.097 -1.002 . . . . 0.33000000000000002 109.213 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.03 -42.18 62.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 3.02 109.891 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -60.58 -41.04 93.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.096 -1.002 . . . . 1.75 109.959 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -46.01 90.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.588 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -58.17 -47.23 84.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.872 . . . . 1.21 109.803 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -34.04 75.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.834 . . . . 1.6899999999999999 110.031 -179.663 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -51.93 67.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 1.0600000000000001 110.129 -179.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.14 -42.02 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.854 . . . . 1.0800000000000001 109.719 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.58 -37.28 78.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.758 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.3 -45.31 88.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 1.1399999999999999 109.62 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.43 -36.71 81.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 2.1899999999999999 108.866 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.43 -36.33 68.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.523 -0.735 . . . . 1.4299999999999999 109.503 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.19 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 1.3100000000000001 109.407 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -81.35 -0.44 41.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.3999999999999999 109.573 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.21 13.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.163 -0.961 . . . . 1.5700000000000001 109.563 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 58.15 4.89 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.798 -1.321 . . . . 1.53 109.798 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.14 128.42 35.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -1.145 . . . . 4.5800000000000001 109.342 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.73 164.35 0.42 Allowed Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 5.6799999999999997 109.629 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.61 140.69 92.4 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.29 1.993 . . . . 6.0499999999999998 110.273 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 118.037 -1.424 . . . . 7.2000000000000002 109.561 179.879 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' C' ' 321' ' ' LYS . 17.2 mttt . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.517 -0.549 . . . . 9.2200000000000006 109.517 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.66 -89.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 8.5099999999999998 109.482 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 8.2 mttt 64.51 64.22 1.18 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 7.4199999999999999 109.704 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.3 Cg_exo -60.54 170.23 4.56 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.216 1.944 . . . . 5.0499999999999998 110.115 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.1 mt -80.66 109.31 15.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.178 -0.951 . . . . 5.1399999999999997 109.505 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -79.47 -170.6 2.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 2.8500000000000001 109.428 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.3 164.85 47.28 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.512 -1.435 . . . . 1.27 109.512 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.61 130.87 48.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -1.123 . . . . 2.1099999999999999 109.587 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 13.0 m-85 -93.35 156.82 16.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 1.01 109.401 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -139.42 -169.92 2.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.199 -0.938 . . . . 0.57999999999999996 109.488 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 74.7 p -153.51 158.49 41.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.219 -0.926 . . . . 1.1599999999999999 109.549 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.0 tp -149.59 133.93 17.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.347 -0.845 . . . . 1.1699999999999999 109.497 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.75 126.54 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 109.241 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.68 111.08 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.143 -0.973 . . . . 1.1299999999999999 109.679 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.418 ' HD3' ' HA3' ' A' ' 325' ' ' GLY . 1.0 OUTLIER -73.44 152.17 40.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.323 -0.861 . . . . 2.8199999999999998 109.453 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.37 130.02 6.66 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.754 -1.338 . . . . 0.45000000000000001 109.754 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 16.2 ttm180 -74.3 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.347 -1.09 . . . . 3.0800000000000001 109.428 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -41.62 87.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.406 -0.809 . . . . 2.54 109.736 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.58 -43.59 97.18 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.281 -0.887 . . . . 4.1100000000000003 109.649 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -55.15 -56.17 22.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.56999999999999995 109.644 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -51.34 -32.87 27.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 1.6599999999999999 109.87 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.24 -50.01 71.89 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.205 -0.934 . . . . 1.29 110.069 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.17 -47.67 85.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.40000000000000002 109.157 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.08 -42.22 63.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.395 -0.815 . . . . 3.8500000000000001 109.811 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.53 -41.02 93.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 1.78 110.042 -179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.36 -45.91 91.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 1.1699999999999999 109.56 -179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -58.23 -47.13 84.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.2 109.742 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -33.96 75.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.865 . . . . 2.1200000000000001 109.914 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -52.04 66.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.933 . . . . 1.0700000000000001 110.04 -179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.433 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 35.7 mt -61.11 -42.07 97.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.704 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.5 -37.31 77.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 2.0899999999999999 109.808 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 15.8 tp -64.2 -45.43 88.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 1.3799999999999999 109.612 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -61.42 -36.63 80.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 2.6800000000000002 108.92 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.41 -36.37 68.84 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.585 -0.697 . . . . 1.3400000000000001 109.481 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.28 87.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 1.3 109.451 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -81.37 -0.35 40.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.328 -0.858 . . . . 1.8 109.556 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.23 -54.26 13.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.47 109.538 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 57.99 4.93 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.841 -1.304 . . . . 1.6599999999999999 109.841 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.99 128.35 35.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.106 -1.232 . . . . 4.7800000000000002 109.459 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.405 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 5.2 mt-10 -50.7 164.36 0.42 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 6.1900000000000004 109.602 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 3.4 Cg_exo -60.7 140.76 92.53 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.228 1.952 . . . . 6.1799999999999997 110.267 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 CA-C-O 118.009 -1.439 . . . . 6.9000000000000004 109.517 179.959 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' D' ' 321' ' ' LYS . 17.2 mttt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 7.6900000000000004 109.503 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.66 -88.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.897 . . . . 7.4500000000000002 109.516 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 8.3 mttt 64.42 64.16 1.21 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.968 . . . . 6.8399999999999999 109.697 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.3 Cg_exo -60.51 170.21 4.54 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.291 1.994 . . . . 5.1200000000000001 110.136 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.62 109.22 14.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 4.6600000000000001 109.504 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.5 -170.74 2.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 2.46 109.427 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.3 164.79 47.33 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.425 -1.47 . . . . 1.0800000000000001 109.425 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.43 130.77 48.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -1.117 . . . . 1.6699999999999999 109.581 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 12.8 m-85 -93.31 156.75 16.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 1.01 109.497 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.95 2.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.63 109.618 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.5 p -153.45 158.5 41.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 1.1299999999999999 109.51 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.1 tp -149.49 134.0 17.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 1.1000000000000001 109.547 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.87 126.51 34.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 109.187 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -123.7 111.04 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 109.66 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.418 ' HD3' ' HA3' ' B' ' 325' ' ' GLY . 1.0 OUTLIER -73.46 152.08 40.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.938 . . . . 2.77 109.41 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.38 130.11 6.69 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.709 -1.357 . . . . 0.42999999999999999 109.709 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 16.2 ttm180 -74.39 -62.84 1.38 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -1.145 . . . . 3.1200000000000001 109.468 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -41.66 87.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 2.2200000000000002 109.75 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.49 -43.5 96.92 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.126 -0.984 . . . . 3.5 109.77 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 36.0 t80 -55.07 -56.16 22.91 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.295 -0.878 . . . . 0.5 109.737 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.41 -32.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.6899999999999999 109.896 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.3 -50.05 71.59 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.163 -0.96 . . . . 1.1399999999999999 109.992 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.06 -47.68 85.23 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.251 -0.905 . . . . 0.32000000000000001 109.266 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.1 -42.17 63.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 2.96 109.885 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -60.6 -40.97 93.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.154 -0.967 . . . . 1.75 109.961 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.42 -45.85 91.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 1.0800000000000001 109.588 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.25 -47.09 84.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.22 109.802 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -33.95 75.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.875 . . . . 1.73 110.003 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.04 66.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 110.131 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.13 -42.05 97.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 1.1100000000000001 109.681 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.58 -37.23 77.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.9099999999999999 109.807 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 15.9 tp -64.24 -45.44 88.14 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.1699999999999999 109.63 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.35 -36.69 80.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.878 . . . . 2.1499999999999999 108.963 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -56.41 -36.29 68.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.578 -0.701 . . . . 1.4399999999999999 109.521 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.19 87.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 1.3 109.481 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.3 -0.36 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 1.3999999999999999 109.632 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.28 -54.23 13.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 1.6000000000000001 109.526 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 57.95 4.92 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.806 -1.318 . . . . 1.5 109.806 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.04 128.35 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -1.16 . . . . 4.5499999999999998 109.474 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.4 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 5.2 mt-10 -50.67 164.39 0.42 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.26 -0.9 . . . . 5.6699999999999999 109.673 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 3.3 Cg_exo -60.74 140.75 92.38 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.272 1.982 . . . . 6.1200000000000001 110.316 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 117.93 -1.484 . . . . 7.2699999999999996 109.527 -179.942 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.426 -0.583 . . . . 7.6600000000000001 109.426 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.18 91.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 7.5099999999999998 109.383 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.95 85.05 0.2 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 6.8099999999999996 109.03 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.44 -2.79 7.84 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.217 1.945 . . . . 5.1500000000000004 110.985 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.67 93.23 7.32 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.821 -1.175 . . . . 4.7000000000000002 109.576 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 1.1 m-20 -83.34 141.44 31.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.474 -0.766 . . . . 2.48 109.369 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.92 154.21 53.23 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.219 -1.553 . . . . 1.0800000000000001 109.219 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.35 130.19 45.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -1.157 . . . . 1.7 109.341 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 8.5 m-85 -93.06 153.68 18.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.134 -0.979 . . . . 1.04 109.596 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.4 m-85 -139.32 -172.03 3.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.65000000000000002 109.597 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -153.15 160.16 42.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.388 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.95 131.34 16.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.905 . . . . 1.0900000000000001 109.52 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.23 132.3 34.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 109.383 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' A' ' 338' ' ' PHE . 65.6 mt -123.51 109.23 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 1.1499999999999999 109.479 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -73.64 116.88 14.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 2.79 109.194 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.54 4.21 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.476 -1.45 . . . . 0.45000000000000001 109.476 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.2 ttp180 -81.01 -57.0 3.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -1.121 . . . . 3.1600000000000001 109.634 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.45 -46.38 86.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -0.907 . . . . 2.2200000000000002 109.672 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.472 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.4 ttm180 -60.78 -41.58 95.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.253 -0.904 . . . . 3.54 109.506 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.5 t80 -55.12 -55.66 28.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.5 109.579 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.86 -37.98 54.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 1.6599999999999999 110.027 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.74 -46.53 87.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.236 -0.915 . . . . 1.1499999999999999 110.154 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.49 -51.12 69.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.34000000000000002 109.274 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.81 59.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.374 -0.829 . . . . 2.9399999999999999 109.761 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.84 -41.13 90.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.221 -0.925 . . . . 1.74 109.857 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.52 -44.89 95.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 1.0700000000000001 109.525 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.56 -47.5 84.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 1.22 109.977 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.88 -37.05 83.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 1.72 109.968 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.53 -51.99 67.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.922 . . . . 1.0700000000000001 110.028 -179.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.408 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 29.5 mt -61.38 -41.5 97.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.312 -0.868 . . . . 1.0800000000000001 109.647 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.78 -35.88 75.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.9099999999999999 109.56 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.01 -45.36 89.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.87 . . . . 1.1499999999999999 109.59 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.68 -43.27 99.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 2.1400000000000001 109.169 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.7 -31.19 64.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.636 -0.665 . . . . 1.4299999999999999 109.799 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.21 72.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.381 -0.824 . . . . 1.3 109.598 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.88 -5.82 58.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 1.4199999999999999 109.563 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.52 -49.26 42.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.169 -0.957 . . . . 1.5800000000000001 109.566 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.77 6.88 60.49 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.956 -1.258 . . . . 1.54 109.956 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -86.23 104.46 15.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -1.156 . . . . 4.5499999999999998 109.405 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 109.44 1.23 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 5.71 109.592 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.61 -1.75 6.3 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.167 1.912 . . . . 6.0899999999999999 110.896 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.467 -1.453 . . . . 7.2400000000000002 109.467 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.404 -0.591 . . . . 7.6699999999999999 109.404 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 91.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 7.46 109.42 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.8 85.04 0.2 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 6.79 109.134 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.28 -2.98 7.93 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.267 1.978 . . . . 5.1500000000000004 111.042 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.59 93.17 7.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.909 -1.119 . . . . 4.6600000000000001 109.625 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 1.1 m-20 -83.25 141.26 32.0 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.477 -0.764 . . . . 2.4700000000000002 109.4 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.68 154.08 53.14 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.188 -1.565 . . . . 1.0600000000000001 109.188 179.7 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.38 130.11 45.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.176 -1.19 . . . . 1.6100000000000001 109.393 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 8.6 m-85 -93.05 153.7 18.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.96999999999999997 109.594 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.5 m-85 -139.3 -171.91 3.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.59999999999999998 109.504 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 67.8 p -153.2 160.04 42.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 1.1000000000000001 109.376 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.83 131.33 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -0.895 . . . . 1.1000000000000001 109.611 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.13 132.2 34.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 1.3600000000000001 109.455 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.402 HG23 ' HA ' ' B' ' 338' ' ' PHE . 65.5 mt -123.49 109.15 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 1.1699999999999999 109.484 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.505 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -73.53 116.91 14.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 2.79 109.279 179.841 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.38 136.64 4.23 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.447 -1.461 . . . . 0.47999999999999998 109.447 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.2 ttp180 -81.13 -56.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.301 -1.117 . . . . 3.2200000000000002 109.731 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.56 -46.62 86.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.32 -0.862 . . . . 2.21 109.596 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.49 -41.71 94.83 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.164 -0.96 . . . . 3.5499999999999998 109.572 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.11 -55.56 29.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.52000000000000002 109.661 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.9 -37.96 54.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 1.6799999999999999 110.038 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.78 -46.54 87.54 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.185 -179.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.41 -51.1 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.33000000000000002 109.348 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.63 59.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 3.02 109.696 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.83 -41.23 90.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.1 -1.0 . . . . 1.75 109.852 -179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 109.574 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.55 -47.56 83.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.21 109.932 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.95 -36.98 83.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.29 -0.881 . . . . 1.6899999999999999 109.958 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.57 -51.98 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.272 -0.892 . . . . 1.0600000000000001 109.962 -179.561 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.36 -41.53 97.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 1.0800000000000001 109.687 -179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.81 -35.86 75.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.291 -0.881 . . . . 1.9299999999999999 109.537 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.04 -45.28 89.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.643 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.79 -43.23 99.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.431 -0.793 . . . . 2.1899999999999999 109.059 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.78 -31.3 64.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.591 -0.693 . . . . 1.4299999999999999 109.602 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -48.14 72.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 1.3100000000000001 109.618 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -81.91 -5.82 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.285 -0.884 . . . . 1.3999999999999999 109.586 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.52 -49.26 42.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 1.5700000000000001 109.546 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 6.81 60.6 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.892 -1.283 . . . . 1.53 109.892 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -86.15 104.47 15.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -1.177 . . . . 4.5800000000000001 109.506 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.44 109.47 1.24 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.324 -0.86 . . . . 5.6799999999999997 109.518 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.69 -1.65 6.22 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.164 1.91 . . . . 6.0499999999999998 110.826 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 7.2000000000000002 109.501 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.33 0.586 . . . . 9.2200000000000006 109.462 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.1 91.51 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 8.5099999999999998 109.463 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.73 85.17 0.2 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 7.4199999999999999 109.101 -179.687 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -2.89 7.96 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.198 1.932 . . . . 5.0499999999999998 110.983 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.67 93.23 7.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.89 -1.131 . . . . 5.1399999999999997 109.567 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 1.1 m-20 -83.27 141.4 31.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 2.8500000000000001 109.413 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.88 154.26 53.25 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.228 -1.549 . . . . 1.27 109.228 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.51 130.21 45.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.244 -1.15 . . . . 2.1099999999999999 109.328 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 8.5 m-85 -93.11 153.78 18.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.959 . . . . 1.01 109.577 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 79.0 m-85 -139.35 -171.95 3.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.57999999999999996 109.507 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 66.9 p -153.17 160.17 42.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.174 -0.954 . . . . 1.1599999999999999 109.401 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.88 131.27 16.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 1.1699999999999999 109.551 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -86.13 132.28 34.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.328 -0.857 . . . . 1.8100000000000001 109.391 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' C' ' 338' ' ' PHE . 65.5 mt -123.46 109.22 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 1.1299999999999999 109.516 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -73.68 117.05 15.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 2.8199999999999998 109.24 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.27 136.55 4.23 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.402 -1.479 . . . . 0.45000000000000001 109.402 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.469 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.2 ttp180 -81.06 -56.94 3.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -1.135 . . . . 3.0800000000000001 109.629 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -46.49 86.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.361 -0.837 . . . . 2.54 109.688 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.408 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.4 ttm180 -60.75 -41.55 95.62 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.246 -0.909 . . . . 4.1100000000000003 109.523 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.5 t80 -55.17 -55.62 29.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.351 -0.843 . . . . 0.56999999999999995 109.562 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.89 -37.99 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -0.825 . . . . 1.6599999999999999 110.026 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.7 -46.59 87.42 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.208 -0.933 . . . . 1.29 110.221 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.31 -51.14 70.12 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.174 -0.954 . . . . 0.40000000000000002 109.367 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -40.7 59.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.383 -0.823 . . . . 3.8500000000000001 109.752 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.77 -41.23 90.6 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.271 -0.893 . . . . 1.78 109.866 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.47 -45.05 94.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 1.1699999999999999 109.494 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.39 -47.63 83.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 1.2 110.023 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.97 -36.91 82.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 2.1200000000000001 109.946 -179.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.409 ' HB3' ' CB ' ' D' ' 347' ' ' ALA . . . -59.67 -51.83 68.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 110.038 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.472 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 29.0 mt -61.42 -41.46 97.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 109.682 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.8 -35.91 75.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.0899999999999999 109.595 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' D' ' 351' ' ' LYS . 10.6 tp -63.95 -45.31 89.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 1.3799999999999999 109.677 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.72 -43.38 98.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 2.6800000000000002 109.122 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.67 -31.13 64.11 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.541 -0.724 . . . . 1.3400000000000001 109.753 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.12 72.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.845 . . . . 1.3 109.556 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.87 -5.8 58.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.917 . . . . 1.8 109.642 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.57 -49.19 42.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.47 109.622 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.72 6.77 60.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.908 -1.277 . . . . 1.6599999999999999 109.908 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -86.11 104.37 15.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.236 . . . . 4.7800000000000002 109.476 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.43 109.42 1.23 Allowed Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 6.1900000000000004 109.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.71 -1.58 6.11 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.052 1.835 . . . . 6.1799999999999997 110.864 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.92 -1.489 . . . . 6.9000000000000004 109.562 -179.965 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.444 -0.576 . . . . 7.6900000000000004 109.444 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.26 91.43 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 7.4500000000000002 109.379 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.92 84.97 0.2 Allowed Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 6.8399999999999999 109.046 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.32 -2.84 7.75 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.229 1.953 . . . . 5.1200000000000001 110.993 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.64 93.18 7.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.883 -1.136 . . . . 4.6600000000000001 109.639 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 1.1 m-20 -83.17 141.31 32.03 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.555 -0.716 . . . . 2.46 109.456 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.77 154.19 53.2 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.18 -1.568 . . . . 1.0800000000000001 109.18 179.732 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.46 130.25 45.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -1.198 . . . . 1.6699999999999999 109.262 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 8.5 m-85 -93.16 153.73 18.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 1.01 109.528 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.4 m-85 -139.4 -171.97 3.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.63 109.455 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 66.9 p -153.23 160.1 42.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.878 . . . . 1.1299999999999999 109.406 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.8 131.24 16.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.635 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.17 132.3 34.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.32 -0.863 . . . . 1.3700000000000001 109.369 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.405 HG23 ' HA ' ' D' ' 338' ' ' PHE . 65.3 mt -123.5 109.21 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 1.1499999999999999 109.506 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -73.62 116.87 14.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 2.77 109.331 179.854 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.58 4.22 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.443 -1.463 . . . . 0.42999999999999999 109.443 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.2 ttp180 -80.93 -56.95 3.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -1.131 . . . . 3.1200000000000001 109.72 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.37 -46.7 85.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.279 -0.888 . . . . 2.2200000000000002 109.673 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.54 -41.67 94.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.251 -0.906 . . . . 3.5 109.509 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.6 t80 -55.16 -55.58 29.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 0.5 109.608 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.0 -37.89 54.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 1.6899999999999999 109.971 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.81 -46.55 87.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 110.181 -179.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.31 -51.26 69.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.141 -0.975 . . . . 0.32000000000000001 109.341 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.65 59.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.429 -0.795 . . . . 2.96 109.756 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.237 -0.914 . . . . 1.75 109.745 -179.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 70.1 mt -62.46 -44.97 95.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 1.0800000000000001 109.508 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -58.46 -47.66 83.28 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.96 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -36.92 82.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 1.73 110.017 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' C' ' 347' ' ' ALA . . . -59.68 -51.77 68.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 110.065 -179.612 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.51 -41.39 97.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 1.1100000000000001 109.663 -179.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.96 -35.72 75.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 1.9099999999999999 109.587 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.05 -45.32 89.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 1.1699999999999999 109.627 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.432 ' HA ' HD23 ' C' ' 350' ' ' LEU . 35.5 ttmt -61.71 -43.25 99.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 2.1499999999999999 109.136 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.83 -31.21 64.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.62 -0.675 . . . . 1.4399999999999999 109.669 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -48.17 72.78 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.896 . . . . 1.3 109.637 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -81.86 -5.82 58.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 1.3999999999999999 109.621 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.59 -49.23 42.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 1.6000000000000001 109.527 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 6.87 60.41 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.909 -1.276 . . . . 1.5 109.909 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -86.18 104.46 15.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -1.158 . . . . 4.5499999999999998 109.53 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 109.4 1.22 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.351 -0.843 . . . . 5.6699999999999999 109.559 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.65 -1.69 6.24 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.066 1.844 . . . . 6.1200000000000001 110.853 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 N-CA-C 109.473 -1.451 . . . . 7.2699999999999996 109.473 -179.981 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.398 -0.593 . . . . 7.6600000000000001 109.398 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' C ' ' HD3' ' A' ' 322' ' ' PRO . 0.2 OUTLIER 60.57 -150.77 0.41 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 7.5099999999999998 109.723 179.743 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.719 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 31.8 ttpt 67.22 39.44 0.22 Allowed Pre-proline 0 N--CA 1.487 1.414 0 O-C-N 121.47 -0.769 . . . . 6.8099999999999996 111.256 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.719 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 9.6 Cg_endo -75.23 -0.63 10.27 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 121.443 1.429 . . . . 5.1500000000000004 110.139 179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.79 49.04 1.53 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.261 -0.9 . . . . 4.7000000000000002 110.822 -178.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -80.15 -90.4 0.06 Allowed 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.235 -0.915 . . . . 2.48 108.842 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.83 151.11 48.82 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.341 -1.504 . . . . 1.0800000000000001 109.341 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.81 147.44 38.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.196 -1.179 . . . . 1.7 109.569 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.448 ' OH ' ' O ' ' A' ' 322' ' ' PRO . 8.4 m-85 -95.19 153.21 17.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 1.04 109.766 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.46 ' O ' ' HG3' ' C' ' 331' ' ' GLN . 84.5 m-85 -140.91 -173.57 3.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.65000000000000002 109.579 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.8 p -152.09 157.32 41.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 1.1399999999999999 109.34 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -148.59 131.06 15.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.271 -0.893 . . . . 1.0900000000000001 109.406 -179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.78 131.88 34.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 1.3700000000000001 109.2 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.416 HD12 ' CG ' ' A' ' 341' ' ' PHE . 53.4 mt -123.99 115.48 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.962 . . . . 1.1499999999999999 109.668 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.84 149.97 41.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 2.79 109.274 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.84 139.13 10.42 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.6 -1.4 . . . . 0.45000000000000001 109.6 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HG3' ' NH1' ' A' ' 335' ' ' ARG . 1.4 ttm-85 -82.26 -57.47 3.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.237 -1.155 . . . . 3.1600000000000001 109.324 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.46 -41.34 89.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.406 -0.809 . . . . 2.2200000000000002 109.647 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.44 -44.34 95.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.271 -0.893 . . . . 3.54 109.694 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.79 -53.28 57.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.5 109.54 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.98 -37.67 53.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 1.6599999999999999 109.744 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 12.7 ttp -63.03 -45.82 90.5 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 110.115 -179.576 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.416 ' CG ' HD12 ' A' ' 332' ' ' ILE . 23.2 m-85 -61.57 -54.22 45.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.34000000000000002 109.333 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.72 -34.12 25.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 2.9399999999999999 109.5 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 340' ' ' MET . 34.6 tt0 -60.25 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.187 -0.946 . . . . 1.74 109.521 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.45 -34.5 75.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 108.903 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.17 -54.06 51.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.462 -0.774 . . . . 1.22 109.53 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.23 -31.74 72.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.445 -0.785 . . . . 1.72 109.912 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.41 45.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.185 -0.947 . . . . 1.0700000000000001 110.045 -179.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.16 -42.72 99.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.696 -179.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.72 -35.46 74.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 1.9099999999999999 109.595 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 18.6 tp -64.86 -42.03 95.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 1.1499999999999999 109.366 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 30.3 ttmt -62.64 -50.1 72.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.81 . . . . 2.1400000000000001 109.089 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.22 -30.46 64.61 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.601 -0.687 . . . . 1.4299999999999999 109.805 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.17 91.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 1.3 109.944 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -6.84 59.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 1.4199999999999999 109.765 -179.775 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.98 60.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.145 -0.972 . . . . 1.5800000000000001 109.441 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -6.45 83.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.688 -1.365 . . . . 1.54 109.688 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.34 120.7 27.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -1.232 . . . . 4.5499999999999998 109.333 -179.828 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -50.48 123.49 17.35 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 5.71 109.516 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.68 131.11 34.03 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.048 1.832 . . . . 6.0899999999999999 110.316 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.966 -1.463 . . . . 7.2400000000000002 109.597 179.882 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.384 -0.599 . . . . 7.6699999999999999 109.384 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' C ' ' HD3' ' B' ' 322' ' ' PRO . 0.2 OUTLIER 60.56 -150.76 0.41 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 7.46 109.763 179.75 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.717 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 31.8 ttpt 67.1 39.55 0.22 Allowed Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.374 -0.829 . . . . 6.79 111.296 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.717 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 9.6 Cg_endo -75.23 -0.61 10.25 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.485 1.457 . . . . 5.1500000000000004 110.118 179.414 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -83.76 48.98 1.52 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.384 -0.822 . . . . 4.6600000000000001 110.846 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.07 -90.29 0.06 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.27 -0.894 . . . . 2.4700000000000002 108.847 179.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.17 151.2 48.42 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.219 -1.553 . . . . 1.0600000000000001 109.219 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 147.36 37.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.235 -1.156 . . . . 1.6100000000000001 109.544 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.452 ' OH ' ' O ' ' B' ' 322' ' ' PRO . 8.4 m-85 -95.18 153.24 17.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.912 . . . . 0.96999999999999997 109.79 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.9 m-85 -140.92 -173.5 3.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -0.85 . . . . 0.59999999999999998 109.549 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.403 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 56.9 p -152.06 157.35 41.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.343 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.63 130.99 15.63 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.278 -0.889 . . . . 1.1000000000000001 109.472 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -85.72 131.77 34.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.3600000000000001 109.206 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.416 HD12 ' CG ' ' B' ' 341' ' ' PHE . 52.3 mt -123.88 115.38 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 1.1699999999999999 109.792 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.9 149.9 41.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 2.79 109.358 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.09 10.42 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.598 -1.401 . . . . 0.47999999999999998 109.598 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 1.4 ttm-85 -82.37 -57.35 3.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -1.16 . . . . 3.2200000000000002 109.3 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -59.52 -41.43 89.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 2.21 109.65 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.35 -44.24 95.75 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.321 -0.862 . . . . 3.5499999999999998 109.813 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.92 -53.23 58.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.312 -0.868 . . . . 0.52000000000000002 109.537 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.96 -37.6 53.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 1.6799999999999999 109.744 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 12.8 ttp -63.15 -45.82 90.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.223 -0.923 . . . . 1.1499999999999999 109.984 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.416 ' CG ' HD12 ' B' ' 332' ' ' ILE . 23.3 m-85 -61.68 -54.18 46.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.33000000000000002 109.345 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.67 -34.16 25.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.283 -0.886 . . . . 3.02 109.473 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' B' ' 340' ' ' MET . 34.4 tt0 -60.27 -49.25 78.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 1.75 109.483 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.62 -34.34 75.5 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 108.962 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.12 -54.22 49.53 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.376 -0.828 . . . . 1.21 109.508 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.95 -31.88 73.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.495 -0.753 . . . . 1.6899999999999999 109.978 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.1 -54.33 45.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 1.0600000000000001 110.039 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.21 -42.7 99.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.749 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.66 -35.67 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.9299999999999999 109.577 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 18.6 tp -64.65 -42.11 95.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 1.1399999999999999 109.393 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 30.3 ttmt -62.59 -50.15 72.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.468 -0.77 . . . . 2.1899999999999999 109.11 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.24 -30.33 64.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.563 -0.711 . . . . 1.4299999999999999 109.807 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.22 91.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.905 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -6.92 59.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 1.3999999999999999 109.753 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -11.02 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 1.5700000000000001 109.475 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -6.43 83.2 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.598 -1.401 . . . . 1.53 109.598 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.34 120.66 27.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.114 -1.227 . . . . 4.5800000000000001 109.496 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.42 123.58 17.32 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 5.6799999999999997 109.559 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.85 131.26 34.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.019 1.813 . . . . 6.0499999999999998 110.222 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.031 -1.427 . . . . 7.2000000000000002 109.539 179.871 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.396 -0.594 . . . . 9.2200000000000006 109.396 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' C' ' 322' ' ' PRO . 0.2 OUTLIER 60.64 -150.8 0.41 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.932 . . . . 8.5099999999999998 109.684 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.717 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 31.8 ttpt 67.06 39.57 0.22 Allowed Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.484 -0.76 . . . . 7.4199999999999999 111.31 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.717 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 9.6 Cg_endo -75.2 -0.75 10.4 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.558 1.505 . . . . 5.0499999999999998 110.041 179.449 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -83.69 49.08 1.53 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.273 -0.892 . . . . 5.1399999999999997 110.883 -178.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.27 -90.28 0.06 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.29 -0.881 . . . . 2.8500000000000001 108.828 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.01 151.22 48.73 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.261 -1.536 . . . . 1.27 109.261 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.75 147.35 38.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.127 -1.22 . . . . 2.1099999999999999 109.557 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.456 ' OH ' ' O ' ' C' ' 322' ' ' PRO . 8.4 m-85 -95.2 153.34 17.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 1.01 109.835 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.5 m-85 -140.93 -173.58 3.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.57999999999999996 109.59 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.6 p -152.04 157.21 41.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.129 -0.982 . . . . 1.1599999999999999 109.332 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.44 131.13 15.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 1.1699999999999999 109.47 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.5 tt0 -85.83 131.8 34.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 1.8100000000000001 109.174 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.421 HD12 ' CG ' ' C' ' 341' ' ' PHE . 52.8 mt -123.89 115.44 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 1.1299999999999999 109.731 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.85 149.93 41.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 2.8199999999999998 109.341 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.13 10.45 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.619 -1.393 . . . . 0.45000000000000001 109.619 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.541 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 1.4 ttm-85 -82.33 -57.39 3.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -1.12 . . . . 3.0800000000000001 109.324 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -59.57 -41.17 89.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.344 -0.847 . . . . 2.54 109.67 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.65 -44.13 96.79 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.239 -0.913 . . . . 4.1100000000000003 109.719 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.94 -53.19 58.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.868 . . . . 0.56999999999999995 109.574 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.99 -37.61 53.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 1.6599999999999999 109.718 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 12.7 ttp -63.11 -45.84 90.14 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.281 -0.887 . . . . 1.29 110.089 -179.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' CG ' HD12 ' C' ' 332' ' ' ILE . 23.4 m-85 -61.49 -54.38 44.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.084 -1.01 . . . . 0.40000000000000002 109.295 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.71 -34.11 25.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 3.8500000000000001 109.526 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' C' ' 340' ' ' MET . 34.6 tt0 -60.1 -49.47 77.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.13 -0.981 . . . . 1.78 109.487 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.5 -34.47 75.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.199 -0.938 . . . . 1.1699999999999999 108.917 179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.05 -54.17 50.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.374 -0.828 . . . . 1.2 109.555 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.09 -31.92 73.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.426 -0.796 . . . . 2.1200000000000001 109.971 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -54.4 45.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 110.029 -179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 1.1399999999999999 109.713 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.52 74.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 2.0899999999999999 109.644 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 18.7 tp -64.96 -41.9 95.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.376 -0.828 . . . . 1.3799999999999999 109.359 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.68 -49.97 73.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 2.6800000000000002 109.08 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -57.41 -30.43 64.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.618 -0.676 . . . . 1.3400000000000001 109.754 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.21 91.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 1.3 109.954 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -6.95 59.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.217 -0.927 . . . . 1.8 109.7 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.92 60.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.952 . . . . 1.47 109.48 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -6.46 83.06 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.644 -1.383 . . . . 1.6599999999999999 109.644 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 120.67 27.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -1.2 . . . . 4.7800000000000002 109.482 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -50.44 123.54 17.32 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.215 -0.928 . . . . 6.1900000000000004 109.498 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.84 131.1 33.65 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.0 1.8 . . . . 6.1799999999999997 110.34 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.98 -1.456 . . . . 6.9000000000000004 109.607 179.895 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.383 -0.599 . . . . 7.6900000000000004 109.383 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.434 ' C ' ' HD3' ' D' ' 322' ' ' PRO . 0.2 OUTLIER 60.54 -150.86 0.41 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 7.4500000000000002 109.778 179.784 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.707 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 31.8 ttpt 67.24 39.41 0.22 Allowed Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.439 -0.788 . . . . 6.8399999999999999 111.246 -179.295 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 9.5 Cg_endo -75.16 -0.52 10.12 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.409 1.406 . . . . 5.1200000000000001 110.161 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.82 49.01 1.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 4.6600000000000001 110.828 -178.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -80.17 -90.29 0.06 Allowed 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.303 -0.873 . . . . 2.46 108.798 179.281 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.11 151.22 48.55 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.201 -1.56 . . . . 1.0800000000000001 109.201 179.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.76 147.34 38.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.191 -1.182 . . . . 1.6699999999999999 109.599 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.458 ' OH ' ' O ' ' D' ' 322' ' ' PRO . 8.4 m-85 -95.04 153.31 17.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.276 -0.89 . . . . 1.01 109.788 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.2 m-85 -141.01 -173.59 3.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.34 -0.85 . . . . 0.63 109.577 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 57.0 p -152.04 157.37 41.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 1.1299999999999999 109.266 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.61 131.09 15.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.438 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.8 131.8 34.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 1.3700000000000001 109.181 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.417 HD12 ' CG ' ' D' ' 341' ' ' PHE . 52.4 mt -123.88 115.38 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 1.1499999999999999 109.828 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 150.0 41.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.928 . . . . 2.77 109.356 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.77 139.14 10.41 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.625 -1.39 . . . . 0.42999999999999999 109.625 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.4 ttm-85 -82.3 -57.5 3.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -1.071 . . . . 3.1200000000000001 109.285 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.44 -41.47 89.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 2.2200000000000002 109.621 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.33 -44.38 95.54 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 3.5 109.652 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.2 t80 -54.83 -53.4 55.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.339 -0.851 . . . . 0.5 109.499 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.76 -37.73 52.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 109.786 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 12.6 ttp -63.05 -45.85 90.25 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.24 -0.913 . . . . 1.1399999999999999 110.106 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.417 ' CG ' HD12 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.57 -54.34 44.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.972 . . . . 0.32000000000000001 109.324 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.56 -34.2 24.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 2.96 109.529 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' D' ' 340' ' ' MET . 34.7 tt0 -60.15 -49.39 77.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 1.75 109.52 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.58 -34.35 75.46 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.164 -0.96 . . . . 1.0800000000000001 108.899 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.15 -54.12 50.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.471 -0.768 . . . . 1.22 109.54 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.01 -32.0 73.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 1.73 109.936 -179.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.36 45.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 110.106 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.291 -0.881 . . . . 1.1100000000000001 109.651 -179.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.51 74.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 1.9099999999999999 109.619 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.88 -41.96 95.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.314 -0.866 . . . . 1.1699999999999999 109.308 -179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 30.3 ttmt -62.67 -50.02 72.81 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.462 -0.774 . . . . 2.1499999999999999 109.086 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.3 -30.42 64.72 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.616 -0.677 . . . . 1.4399999999999999 109.757 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.16 90.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 1.3 109.861 -179.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -6.87 59.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -0.88 . . . . 1.3999999999999999 109.709 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -10.99 60.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.6000000000000001 109.412 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -6.48 83.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.62 -1.392 . . . . 1.5 109.62 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 120.67 27.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -1.115 . . . . 4.5499999999999998 109.521 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.48 123.53 17.44 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.277 -0.889 . . . . 5.6699999999999999 109.564 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.83 131.29 34.55 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.003 1.802 . . . . 6.1200000000000001 110.239 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.979 -1.456 . . . . 7.2699999999999996 109.584 179.88 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.419 -0.586 . . . . 7.6600000000000001 109.419 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt 62.65 116.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 7.5099999999999998 109.437 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 11.7 tttp 59.8 71.7 0.87 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 6.8099999999999996 109.3 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.55 -81.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.245 1.963 . . . . 5.1500000000000004 110.563 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.12 109.02 16.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 4.7000000000000002 109.825 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.412 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 2.8 m-20 -81.2 -134.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 2.48 109.195 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.98 166.55 43.8 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.501 -1.44 . . . . 1.0800000000000001 109.501 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.46 127.2 30.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -1.124 . . . . 1.7 109.84 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 34.5 m-85 -94.56 155.84 16.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.326 -0.859 . . . . 1.04 109.361 179.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 75.8 m-85 -140.82 136.37 32.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -0.9 . . . . 0.65000000000000002 109.301 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.7 p -91.96 171.53 9.06 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.811 . . . . 1.1399999999999999 109.931 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 23.5 tp -148.96 132.39 16.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.316 -0.865 . . . . 1.0900000000000001 109.345 179.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.48 122.36 31.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.385 -0.822 . . . . 1.3700000000000001 109.774 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.9 mt -124.01 109.75 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 109.402 179.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 1.8 tmt_? -72.99 147.24 45.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 2.79 109.754 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.407 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 95.73 131.4 6.62 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.913 -1.275 . . . . 0.45000000000000001 109.913 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.505 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 6.0 ttm180 -79.6 -49.56 12.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.263 -1.139 . . . . 3.1600000000000001 109.313 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.27 -47.21 86.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.323 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.419 ' NH1' HD12 ' C' ' 348' ' ' LEU . 11.0 tpp180 -62.51 -42.47 99.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.282 -0.886 . . . . 3.54 109.165 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.412 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 20.8 t80 -54.26 -48.94 70.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.33 -0.856 . . . . 0.5 109.289 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.82 -37.61 60.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.27 -0.894 . . . . 1.6599999999999999 109.766 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -62.68 -46.71 86.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 1.1499999999999999 110.06 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.99 -50.9 71.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 0.34000000000000002 109.452 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.08 -38.59 52.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.826 . . . . 2.9399999999999999 109.721 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -50.98 71.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 1.74 109.899 -179.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.31 -33.87 74.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 1.0700000000000001 109.209 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.05 -53.52 56.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.386 -0.821 . . . . 1.22 109.742 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.04 82.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.392 -0.818 . . . . 1.72 110.235 -179.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.26 74.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 1.0700000000000001 109.954 -179.536 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.433 HD12 ' NH1' ' C' ' 337' ' ' ARG . 36.2 mt -62.17 -45.99 90.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 1.0800000000000001 109.525 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.49 -31.79 69.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.589 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 14.8 tp -64.77 -47.36 78.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.905 . . . . 1.1499999999999999 109.365 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.89 -48.87 78.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.457 -0.777 . . . . 2.1400000000000001 109.128 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.7 -32.35 65.38 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.613 -0.68 . . . . 1.4299999999999999 109.639 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.3 84.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 1.3 109.505 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -82.73 -7.53 59.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 1.4199999999999999 109.506 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.19 -25.22 61.59 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.159 -0.963 . . . . 1.5800000000000001 109.428 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.99 87.39 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.623 -1.391 . . . . 1.54 109.623 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.67 121.55 29.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.113 -1.228 . . . . 4.5499999999999998 109.539 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 359' ' ' PRO . 17.0 mt-10 -50.92 164.9 0.4 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 5.71 109.476 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 358' ' ' GLU . 1.2 Cg_endo -67.2 -1.03 5.61 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.215 1.943 . . . . 6.0899999999999999 110.8 179.617 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.403 -1.479 . . . . 7.2400000000000002 109.403 -179.956 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.306 0.574 . . . . 7.6699999999999999 109.511 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.74 116.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.258 -0.901 . . . . 7.46 109.446 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 11.6 tttp 59.87 71.55 0.88 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 6.79 109.34 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.45 -81.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.217 1.944 . . . . 5.1500000000000004 110.574 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 27.8 mt -82.06 108.99 15.98 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.176 -0.953 . . . . 4.6600000000000001 109.828 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.403 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 2.8 m-20 -81.43 -135.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 2.4700000000000002 108.988 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.73 166.59 39.3 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 1.0600000000000001 109.495 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.6 127.34 31.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -1.167 . . . . 1.6100000000000001 109.742 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 34.9 m-85 -94.68 155.87 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.328 -0.858 . . . . 0.96999999999999997 109.368 179.693 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 75.8 m-85 -140.83 136.3 32.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.59999999999999998 109.331 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.94 171.72 8.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.328 -0.857 . . . . 1.1000000000000001 109.838 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -149.14 132.25 16.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.336 -0.852 . . . . 1.1000000000000001 109.389 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.33 122.44 31.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 109.83 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mt -124.14 109.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.291 179.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 1.8 tmt_? -72.95 147.19 45.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 2.79 109.703 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.41 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 95.8 131.35 6.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.83 -1.308 . . . . 0.47999999999999998 109.83 179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 6.0 ttm180 -79.48 -49.7 11.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.175 . . . . 3.2200000000000002 109.268 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.1 -47.31 85.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.288 -0.882 . . . . 2.21 109.417 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.459 ' NH1' HD12 ' D' ' 348' ' ' LEU . 11.0 tpp180 -62.52 -42.35 99.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.282 -0.886 . . . . 3.5499999999999998 109.215 179.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 20.6 t80 -54.32 -48.92 70.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.852 . . . . 0.52000000000000002 109.3 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.74 -37.56 59.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 1.6799999999999999 109.84 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.79 -46.67 86.92 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.27 -0.894 . . . . 1.1499999999999999 110.024 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -61.01 -50.83 71.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.33000000000000002 109.398 -179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.23 -38.53 53.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 3.02 109.734 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -50.96 72.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 1.75 109.882 -179.681 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 84.9 mt -61.35 -33.8 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 1.0700000000000001 109.218 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.1 -53.59 56.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.843 . . . . 1.21 109.683 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.18 82.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.6899999999999999 110.194 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -50.07 75.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 1.0600000000000001 110.049 -179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.463 HD12 ' NH1' ' D' ' 337' ' ' ARG . 35.2 mt -62.09 -46.07 90.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 1.0800000000000001 109.61 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.81 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -0.85 . . . . 1.9299999999999999 109.581 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.78 -47.47 78.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 1.1399999999999999 109.294 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -61.88 -48.79 78.91 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.389 -0.82 . . . . 2.1899999999999999 109.134 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.673 -0.642 . . . . 1.4299999999999999 109.682 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.21 83.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.3100000000000001 109.609 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -82.65 -7.67 59.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 1.3999999999999999 109.619 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.13 -25.27 61.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.114 -0.991 . . . . 1.5700000000000001 109.417 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 -3.0 87.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.731 -1.348 . . . . 1.53 109.731 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.6 121.43 29.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -1.184 . . . . 4.5800000000000001 109.606 -179.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.427 ' HB3' ' HD2' ' B' ' 359' ' ' PRO . 16.9 mt-10 -50.97 165.01 0.4 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 5.6799999999999997 109.515 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' B' ' 358' ' ' GLU . 1.2 Cg_endo -67.24 -0.97 5.55 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.31 2.007 . . . . 6.0499999999999998 110.736 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.44 . . . . 7.2000000000000002 109.499 -179.877 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.468 -0.567 . . . . 9.2200000000000006 109.468 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.72 116.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 8.5099999999999998 109.429 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 11.8 tttp 59.85 71.68 0.87 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 7.4199999999999999 109.262 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.51 -81.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.23 1.953 . . . . 5.0499999999999998 110.545 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.17 109.02 16.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 5.1399999999999997 109.755 -179.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.411 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 2.8 m-20 -81.23 -134.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.297 -0.877 . . . . 2.8500000000000001 109.171 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.416 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -67.62 166.6 42.48 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.49 -1.444 . . . . 1.27 109.49 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.57 127.27 31.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -1.156 . . . . 2.1099999999999999 109.806 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 34.5 m-85 -94.6 155.79 16.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.381 -0.824 . . . . 1.01 109.387 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.505 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -140.78 136.36 32.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.165 179.332 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -91.95 171.58 9.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -0.813 . . . . 1.1599999999999999 109.889 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -149.0 132.34 16.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.829 . . . . 1.1699999999999999 109.376 179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.32 30.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 1.8100000000000001 109.816 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.8 mt -123.91 109.77 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 109.339 179.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 1.8 tmt_? -72.98 147.18 45.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 2.8199999999999998 109.733 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 95.7 131.39 6.61 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.812 -1.315 . . . . 0.45000000000000001 109.812 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 6.0 ttm180 -79.57 -49.56 12.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.319 -1.106 . . . . 3.0800000000000001 109.256 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.29 -47.32 85.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 2.54 109.335 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.433 ' NH1' HD12 ' A' ' 348' ' ' LEU . 11.0 tpp180 -62.44 -42.42 99.44 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 4.1100000000000003 109.273 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.46 ' CG ' ' HB2' ' A' ' 328' ' ' PHE . 20.4 t80 -54.29 -48.92 70.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.56999999999999995 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.73 -37.51 59.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.222 -0.924 . . . . 1.6599999999999999 109.856 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.86 -46.66 86.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.169 -0.957 . . . . 1.29 109.987 -179.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -61.02 -50.82 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 0.40000000000000002 109.457 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -51.19 -38.49 52.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 3.8500000000000001 109.732 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.25 -50.96 72.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.039 -1.038 . . . . 1.78 109.933 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.24 -33.92 74.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.189 -0.944 . . . . 1.1699999999999999 109.187 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.09 -53.55 56.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.408 -0.807 . . . . 1.2 109.641 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -36.07 82.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 2.1200000000000001 110.256 -179.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.17 74.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 1.0700000000000001 110.013 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.419 HD12 ' NH1' ' A' ' 337' ' ' ARG . 35.7 mt -62.06 -46.06 90.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 1.1399999999999999 109.617 -179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.88 69.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 2.0899999999999999 109.519 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.76 -47.37 78.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 1.3799999999999999 109.335 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.85 -48.89 78.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.448 -0.782 . . . . 2.6800000000000002 109.149 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.65 -32.43 65.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.507 -0.746 . . . . 1.3400000000000001 109.621 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.34 84.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.274 -0.891 . . . . 1.3 109.46 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -82.78 -7.45 59.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.929 . . . . 1.8 109.569 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.3 -25.16 61.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 1.47 109.432 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.99 87.38 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.703 -1.359 . . . . 1.6599999999999999 109.703 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.64 121.45 29.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -1.135 . . . . 4.7800000000000002 109.603 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.412 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 17.0 mt-10 -50.89 164.91 0.4 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 6.1900000000000004 109.483 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 1.2 Cg_endo -67.28 -0.98 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.187 1.924 . . . . 6.1799999999999997 110.829 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.444 -1.462 . . . . 6.9000000000000004 109.444 -179.964 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.44 -0.578 . . . . 7.6900000000000004 109.44 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.57 116.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 7.4500000000000002 109.457 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 11.7 tttp 59.81 71.71 0.86 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 6.8399999999999999 109.178 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.62 -81.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.219 1.946 . . . . 5.1200000000000001 110.498 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -82.08 109.01 16.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 4.6600000000000001 109.786 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 2.9 m-20 -81.27 -134.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 2.46 109.132 179.671 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.74 166.67 42.8 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.567 -1.413 . . . . 1.0800000000000001 109.567 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -58.54 127.28 31.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 1.6699999999999999 109.832 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 35.2 m-85 -94.54 155.85 16.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 1.01 109.413 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 76.4 m-85 -140.89 136.36 32.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.63 109.271 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.3 p -91.91 171.75 8.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 1.1299999999999999 109.864 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 23.5 tp -149.21 132.3 16.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.1000000000000001 109.39 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.47 31.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.176 -0.953 . . . . 1.3700000000000001 109.774 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.1 mt -124.07 109.55 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.253 -0.904 . . . . 1.1499999999999999 109.303 179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 1.9 tmt_? -72.82 147.04 45.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 2.77 109.793 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.41 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 95.86 131.4 6.66 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.739 -1.344 . . . . 0.42999999999999999 109.739 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 6.0 ttm180 -79.53 -49.48 12.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -1.168 . . . . 3.1200000000000001 109.354 179.723 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.3 -47.33 85.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.317 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.463 ' NH1' HD12 ' B' ' 348' ' ' LEU . 11.0 tpp180 -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.218 -0.926 . . . . 3.5 109.256 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 20.4 t80 -54.38 -48.9 70.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.5 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.69 -37.67 59.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.6899999999999999 109.77 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.78 -46.67 86.93 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.22 -0.925 . . . . 1.1399999999999999 110.054 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -60.97 -50.82 71.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.32000000000000001 109.425 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.32 -38.39 52.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 2.96 109.695 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.98 71.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 1.75 109.848 -179.722 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.3 -33.92 74.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.092 -1.005 . . . . 1.0800000000000001 109.209 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.07 -53.55 56.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.22 109.672 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -35.94 81.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.407 -0.808 . . . . 1.73 110.309 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.22 74.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 1.0700000000000001 109.9 -179.554 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.459 HD12 ' NH1' ' B' ' 337' ' ' ARG . 35.3 mt -62.05 -46.08 90.73 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.361 -0.837 . . . . 1.1100000000000001 109.579 -179.732 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.53 -31.74 69.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.558 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 14.7 tp -64.84 -47.37 78.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.851 . . . . 1.1699999999999999 109.344 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.74 -49.04 78.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.776 . . . . 2.1499999999999999 109.145 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.63 -32.33 65.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.766 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.22 83.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 1.3 109.572 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -82.63 -7.58 59.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.183 -0.948 . . . . 1.3999999999999999 109.683 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.07 61.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.128 -0.982 . . . . 1.6000000000000001 109.422 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 -2.99 87.2 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.683 -1.367 . . . . 1.5 109.683 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.55 121.47 29.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -1.151 . . . . 4.5499999999999998 109.662 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.409 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 17.0 mt-10 -50.91 164.95 0.4 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 5.6699999999999999 109.504 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 1.2 Cg_endo -67.45 -0.86 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.18 1.92 . . . . 6.1200000000000001 110.776 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.411 -1.476 . . . . 7.2699999999999996 109.411 179.887 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.284 0.564 . . . . 7.6600000000000001 109.56 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 321' ' ' LYS . 8.0 tttt 65.0 12.0 7.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.881 . . . . 7.5099999999999998 109.698 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.6 OUTLIER 61.8 138.32 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.257 -0.902 . . . . 6.8099999999999996 109.649 179.876 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.18 127.28 18.88 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.084 1.856 . . . . 5.1500000000000004 110.27 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.13 107.39 13.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 4.7000000000000002 109.45 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.19 -157.99 0.19 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.861 . . . . 2.48 109.508 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 163.0 50.15 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.514 -1.435 . . . . 1.0800000000000001 109.514 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.59 140.72 53.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -1.183 . . . . 1.7 109.522 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -93.28 157.12 16.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 1.04 109.437 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -140.16 -169.65 2.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.975 . . . . 0.65000000000000002 109.771 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 1.5 p -153.29 157.46 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.507 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.31 131.13 15.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 1.0900000000000001 109.48 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -87.24 129.12 35.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 1.3700000000000001 109.566 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.475 HG22 ' CD2' ' A' ' 341' ' ' PHE . 40.3 mt -123.97 119.04 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 1.1499999999999999 109.458 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.11 149.53 41.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 2.79 109.659 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.46 133.27 7.3 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.982 -1.247 . . . . 0.45000000000000001 109.982 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.0 ttp180 -79.15 -59.88 2.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.25 -1.147 . . . . 3.1600000000000001 109.31 179.864 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 25.1 pt-20 -58.6 -41.39 85.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.365 -0.835 . . . . 2.2200000000000002 109.175 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.7 ttp180 -60.91 -45.73 93.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 3.54 109.368 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.48 -49.28 72.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.5 109.638 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.99 44.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.6599999999999999 110.108 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -62.76 -46.03 89.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.044 -1.035 . . . . 1.1499999999999999 110.039 -179.332 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.475 ' CD2' HG22 ' A' ' 332' ' ' ILE . 22.3 m-85 -61.5 -48.85 79.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.137 -0.977 . . . . 0.34000000000000002 109.33 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -42.98 59.5 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.4 -0.813 . . . . 2.9399999999999999 109.551 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.21 -40.9 87.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.74 109.8 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.62 -45.83 91.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.203 -0.936 . . . . 1.0700000000000001 109.46 -179.894 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -57.91 -45.01 87.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 1.22 109.789 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.42 -38.37 89.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.295 -0.878 . . . . 1.72 109.839 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.34 -49.24 78.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.784 -179.762 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 17.5 mt -61.9 -42.32 98.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.825 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.86 -37.3 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 1.9099999999999999 109.856 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.1 tt -64.14 -49.18 73.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 1.1499999999999999 109.315 -179.589 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.89 79.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.787 -0.819 . . . . 2.1400000000000001 108.787 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.77 -38.23 81.24 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.599 -0.688 . . . . 1.4299999999999999 109.375 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -23.92 66.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.499 -0.751 . . . . 1.3 109.549 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -80.39 -49.95 10.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.94 . . . . 1.4199999999999999 109.323 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.35 -5.87 35.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 1.5800000000000001 109.558 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.6 2.24 73.84 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.652 -1.379 . . . . 1.54 109.652 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.37 108.64 18.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -1.19 . . . . 4.5499999999999998 109.585 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 2.0 mt-10 -49.95 -56.0 20.34 Favored Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.16 -0.962 . . . . 5.71 109.658 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.1 Cg_endo -62.1 146.93 95.95 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.843 1.696 . . . . 6.0899999999999999 110.185 179.862 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.004 -1.442 . . . . 7.2400000000000002 109.617 179.977 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.538 -0.541 . . . . 7.6699999999999999 109.538 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 321' ' ' LYS . 8.0 tttt 64.93 11.97 7.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 7.46 109.704 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.6 OUTLIER 61.88 138.28 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.142 -0.974 . . . . 6.79 109.621 179.796 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.25 127.23 18.7 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 122.089 1.859 . . . . 5.1500000000000004 110.335 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.09 107.34 13.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.197 -0.939 . . . . 4.6600000000000001 109.379 179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.06 -158.22 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 2.4700000000000002 109.523 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 162.98 49.06 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.558 -1.417 . . . . 1.0600000000000001 109.558 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.67 140.83 54.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.2 -1.177 . . . . 1.6100000000000001 109.47 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 22.8 m-85 -93.4 157.23 16.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.884 . . . . 0.96999999999999997 109.36 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.7 m-85 -140.18 -169.7 2.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.936 . . . . 0.59999999999999998 109.726 -179.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 1.4 p -153.34 157.46 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 1.1000000000000001 109.43 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.18 131.14 15.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.54 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.3 tt0 -87.31 129.16 35.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 1.3600000000000001 109.513 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' B' ' 341' ' ' PHE . 39.7 mt -123.88 118.97 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 1.1699999999999999 109.493 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.06 149.52 41.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.314 -0.866 . . . . 2.79 109.731 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 133.35 7.34 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.908 -1.277 . . . . 0.47999999999999998 109.908 179.673 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.1 ttp180 -79.18 -59.95 2.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.125 . . . . 3.2200000000000002 109.366 179.723 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 25.1 pt-20 -58.57 -41.31 85.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.847 . . . . 2.21 109.209 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.7 ttp180 -60.95 -45.72 93.59 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.308 -0.87 . . . . 3.5499999999999998 109.417 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.55 -49.29 73.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.52000000000000002 109.592 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.93 44.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 1.6799999999999999 110.11 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.2 ttp -62.82 -46.04 89.8 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 1.1499999999999999 110.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.471 ' CD2' HG22 ' B' ' 332' ' ' ILE . 22.3 m-85 -61.4 -48.94 78.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.33000000000000002 109.348 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -42.92 58.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.382 -0.824 . . . . 3.02 109.658 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.37 -40.88 87.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.75 109.748 -179.699 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.53 -45.81 91.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 1.0700000000000001 109.552 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.88 -45.15 86.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 1.21 109.753 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.26 -38.41 89.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -0.912 . . . . 1.6899999999999999 109.877 -179.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.26 78.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.266 -0.896 . . . . 1.0600000000000001 109.717 -179.726 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 17.5 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 1.0800000000000001 109.787 -179.66 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.95 -37.31 81.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.337 -0.852 . . . . 1.9299999999999999 109.792 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.42 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.1 tt -64.23 -49.02 73.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 1.1399999999999999 109.289 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 35.3 ttmt -60.4 -37.05 79.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.265 -0.897 . . . . 2.1899999999999999 108.891 179.654 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.62 -38.15 80.53 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.604 -0.685 . . . . 1.4299999999999999 109.456 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.81 -24.03 66.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.448 -0.782 . . . . 1.3100000000000001 109.537 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -80.42 -49.81 10.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.362 -0.836 . . . . 1.3999999999999999 109.371 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -6.04 36.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.335 -0.853 . . . . 1.5700000000000001 109.618 179.805 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.5 2.14 73.77 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.652 -1.379 . . . . 1.53 109.652 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.13 108.6 18.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -1.129 . . . . 4.5800000000000001 109.579 -179.825 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.533 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.0 mt-10 -50.1 -55.98 20.91 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.169 -0.957 . . . . 5.6799999999999997 109.517 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.2 Cg_endo -62.07 146.95 95.97 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 121.855 1.703 . . . . 6.0499999999999998 110.129 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 CA-C-O 118.035 -1.425 . . . . 7.2000000000000002 109.559 179.928 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.272 0.558 . . . . 9.2200000000000006 109.552 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 321' ' ' LYS . 8.0 tttt 64.89 12.1 7.52 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 8.5099999999999998 109.703 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.6 OUTLIER 61.8 138.31 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 7.4199999999999999 109.617 179.768 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.14 127.27 18.9 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 121.971 1.781 . . . . 5.0499999999999998 110.372 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.11 107.3 13.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 5.1399999999999997 109.426 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.12 -158.02 0.19 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 2.8500000000000001 109.518 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 162.94 49.94 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.51 -1.436 . . . . 1.27 109.51 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.62 140.79 53.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -1.224 . . . . 2.1099999999999999 109.522 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 22.7 m-85 -93.43 157.21 16.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 1.01 109.412 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.3 m-85 -140.14 -169.73 2.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.15 -0.969 . . . . 0.57999999999999996 109.8 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 1.4 p -153.42 157.45 39.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 1.1599999999999999 109.482 -179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -149.18 131.12 15.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.121 -0.987 . . . . 1.1699999999999999 109.555 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -87.3 129.11 35.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 1.8100000000000001 109.483 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.482 HG22 ' CD2' ' C' ' 341' ' ' PHE . 40.1 mt -123.95 118.96 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 1.1299999999999999 109.499 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -73.97 149.45 41.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 2.8199999999999998 109.773 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.53 133.36 7.35 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.967 -1.253 . . . . 0.45000000000000001 109.967 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.0 ttp180 -79.32 -59.81 2.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.329 -1.101 . . . . 3.0800000000000001 109.261 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 25.1 pt-20 -58.63 -41.41 85.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 2.54 109.185 179.772 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.7 ttp180 -60.77 -45.86 92.71 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.364 -0.835 . . . . 4.1100000000000003 109.36 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.45 -49.34 72.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.398 -0.814 . . . . 0.56999999999999995 109.624 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.98 44.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 1.6599999999999999 110.106 -179.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.69 -46.17 89.37 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.146 -0.971 . . . . 1.29 110.02 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CD2' HG22 ' C' ' 332' ' ' ILE . 22.0 m-85 -61.4 -48.91 79.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.104 -0.997 . . . . 0.40000000000000002 109.29 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -42.83 59.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.407 -0.808 . . . . 3.8500000000000001 109.6 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -59.35 -40.91 87.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.254 -0.904 . . . . 1.78 109.727 -179.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 71.9 mt -62.51 -45.88 90.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 1.1699999999999999 109.493 -179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -57.92 -45.06 87.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.88 . . . . 1.2 109.767 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.24 -38.51 89.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 2.1200000000000001 109.919 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.24 78.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 1.0700000000000001 109.746 -179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 17.4 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 1.1399999999999999 109.81 -179.687 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.97 -37.44 82.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 2.0899999999999999 109.735 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.1 tt -64.02 -49.04 73.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 1.3799999999999999 109.384 -179.597 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 35.3 ttmt -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.33 -0.856 . . . . 2.6800000000000002 108.862 179.708 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.71 -38.13 80.77 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.549 -0.719 . . . . 1.3400000000000001 109.322 179.656 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -24.17 66.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 1.3 109.47 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -80.26 -49.95 10.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.8 109.333 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -6.01 36.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 1.47 109.531 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.61 2.3 73.6 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.651 -1.379 . . . . 1.6599999999999999 109.651 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.23 108.5 18.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -1.184 . . . . 4.7800000000000002 109.635 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.534 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 2.0 mt-10 -50.01 -55.97 20.75 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.896 . . . . 6.1900000000000004 109.574 179.804 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.534 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.2 Cg_endo -62.02 146.96 96.01 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.821 1.681 . . . . 6.1799999999999997 110.211 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.477 -1.449 . . . . 6.9000000000000004 109.477 179.872 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.531 -0.544 . . . . 7.6900000000000004 109.531 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' D' ' 321' ' ' LYS . 8.0 tttt 64.89 12.05 7.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.293 -0.88 . . . . 7.4500000000000002 109.7 179.876 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.6 OUTLIER 61.76 138.35 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 6.8399999999999999 109.674 179.893 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.22 127.32 18.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 121.977 1.785 . . . . 5.1200000000000001 110.345 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.15 107.46 13.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 4.6600000000000001 109.289 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.24 -158.0 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 2.46 109.562 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 162.99 49.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.603 -1.399 . . . . 1.0800000000000001 109.603 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.65 140.77 54.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -1.144 . . . . 1.6699999999999999 109.475 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -93.34 157.21 16.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.282 -0.887 . . . . 1.01 109.442 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.6 m-85 -140.18 -169.84 2.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.975 . . . . 0.63 109.801 -179.795 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 1.4 p -153.23 157.43 40.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 1.1299999999999999 109.464 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -149.25 131.07 15.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 1.1000000000000001 109.541 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.15 129.07 35.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 1.3700000000000001 109.54 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' D' ' 341' ' ' PHE . 40.3 mt -123.93 119.0 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 1.1499999999999999 109.458 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.05 149.56 41.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 2.77 109.677 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.5 133.27 7.31 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.994 -1.243 . . . . 0.42999999999999999 109.994 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.575 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttp180 -79.17 -59.93 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -1.14 . . . . 3.1200000000000001 109.345 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 25.1 pt-20 -58.51 -41.41 85.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 2.2200000000000002 109.163 179.806 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.7 ttp180 -60.89 -45.85 92.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.389 -0.819 . . . . 3.5 109.393 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.45 -49.28 72.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.403 -0.81 . . . . 0.5 109.652 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.89 44.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.213 -0.929 . . . . 1.6899999999999999 110.14 -179.57 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.8 -46.13 89.39 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.052 -1.03 . . . . 1.1399999999999999 109.988 -179.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD2' HG22 ' D' ' 332' ' ' ILE . 22.3 m-85 -61.43 -48.9 79.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.32000000000000001 109.288 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -42.74 60.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.309 -0.869 . . . . 2.96 109.658 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.34 -40.86 87.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.207 -0.933 . . . . 1.75 109.801 -179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.5 -45.93 90.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.109 -0.995 . . . . 1.0800000000000001 109.563 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -57.91 -45.0 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.856 . . . . 1.22 109.817 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.34 -38.38 89.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.366 -0.834 . . . . 1.73 109.825 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.22 78.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 109.691 -179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.492 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 17.5 mt -61.83 -42.42 99.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.368 -0.832 . . . . 1.1100000000000001 109.801 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.78 -37.45 81.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 1.9099999999999999 109.861 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.19 -49.04 73.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 109.35 -179.532 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.93 79.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 2.1499999999999999 108.812 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -59.69 -38.15 80.75 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.528 -0.733 . . . . 1.4399999999999999 109.419 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -24.12 66.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.461 -0.775 . . . . 1.3 109.504 -179.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -80.28 -49.98 10.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.92 . . . . 1.3999999999999999 109.401 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.18 -6.02 36.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 1.6000000000000001 109.598 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.48 2.1 73.88 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.67 -1.372 . . . . 1.5 109.67 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.25 108.62 18.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -1.158 . . . . 4.5499999999999998 109.579 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.0 mt-10 -50.02 -55.99 20.63 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.14 -0.975 . . . . 5.6699999999999999 109.559 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.2 Cg_endo -62.1 146.97 95.92 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 121.807 1.671 . . . . 6.1200000000000001 110.175 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 118.027 -1.43 . . . . 7.2699999999999996 109.581 179.952 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 320' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.467 -0.568 . . . . 7.6600000000000001 109.467 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.48 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 14.7 mttm 60.7 153.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 7.5099999999999998 109.538 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.471 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 43.8 mttt 62.43 149.82 0.1 OUTLIER Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 6.8099999999999996 109.646 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.55 90.92 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.326 2.018 . . . . 5.1500000000000004 110.637 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.503 ' N ' HD21 ' A' ' 323' ' ' LEU . 4.5 mm? -81.01 -1.1 42.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 4.7000000000000002 109.597 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.02 3.18 23.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.104 -0.997 . . . . 2.48 109.799 -179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.5 138.05 31.62 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.504 -1.438 . . . . 1.0800000000000001 109.504 -179.838 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.0 125.5 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.625 -0.926 . . . . 1.7 109.939 -179.801 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 27.6 m-85 -96.82 154.16 17.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.988 . . . . 1.04 109.175 179.408 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.63 -174.79 3.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.142 -0.974 . . . . 0.65000000000000002 109.802 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.0 p -153.44 159.08 42.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 1.1399999999999999 109.273 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.1 tp -149.05 129.29 13.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.14 -0.975 . . . . 1.0900000000000001 109.63 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.45 129.77 34.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.3700000000000001 109.338 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 34.2 mt -123.83 117.1 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 1.1499999999999999 109.559 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.57 156.61 37.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 2.79 109.537 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.1 139.04 6.32 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.756 -1.338 . . . . 0.45000000000000001 109.756 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.02 -60.59 2.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.348 -1.089 . . . . 3.1600000000000001 109.531 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.46 -38.09 76.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 2.2200000000000002 109.65 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' HD12 ' C' ' 348' ' ' LEU . 5.4 tpp180 -62.76 -46.97 85.55 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.287 -0.883 . . . . 3.54 109.54 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.1 t80 -54.88 -51.2 66.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 0.5 109.491 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.26 -32.78 38.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 1.6599999999999999 109.92 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.56 -52.04 62.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.139 -0.976 . . . . 1.1499999999999999 110.06 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -60.85 -51.77 67.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.34000000000000002 109.14 -179.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.43 -38.1 41.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.494 -0.754 . . . . 2.9399999999999999 109.371 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -61.74 -43.96 97.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -0.839 . . . . 1.74 109.793 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.96 -47.02 86.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.341 -0.849 . . . . 1.0700000000000001 109.737 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.22 -42.98 87.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 1.22 109.783 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -41.94 99.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 1.72 109.89 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.6 -46.24 89.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 1.0700000000000001 109.843 -179.727 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.44 HD12 ' NH1' ' C' ' 337' ' ' ARG . 75.4 mt -62.06 -43.5 98.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.714 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.93 -37.25 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.78 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.4 tt -63.53 -48.69 76.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 1.1499999999999999 109.732 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.513 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 27.7 ttmt -61.19 -40.8 95.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.312 -0.868 . . . . 2.1400000000000001 109.153 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.23 -33.03 67.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.559 -0.713 . . . . 1.4299999999999999 109.586 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.18 89.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 1.3 109.342 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -81.06 0.88 33.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.4199999999999999 109.43 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -76.01 0.11 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.233 -0.917 . . . . 1.5800000000000001 109.846 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.36 60.73 4.8 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.723 -1.351 . . . . 1.54 109.723 -179.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 133.37 33.65 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.205 -1.174 . . . . 4.5499999999999998 109.259 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.573 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 1.1 mt-10 -55.74 -55.87 36.17 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 5.71 109.995 -179.855 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.573 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.2 Cg_endo -67.41 -3.7 10.53 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.098 1.865 . . . . 6.0899999999999999 110.84 -179.755 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 7.2400000000000002 109.558 -179.947 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 320' ' ' LYS . 14.1 tttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.466 -0.568 . . . . 7.6699999999999999 109.466 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 14.6 mttm 60.68 153.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 7.46 109.568 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.468 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 44.2 mttt 62.37 149.86 0.1 OUTLIER Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 6.79 109.571 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.61 90.91 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.344 2.03 . . . . 5.1500000000000004 110.553 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.51 ' N ' HD21 ' B' ' 323' ' ' LEU . 4.5 mm? -80.95 -1.07 42.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 4.6600000000000001 109.604 179.351 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.02 2.98 24.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 2.4700000000000002 109.842 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.1 138.07 32.4 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.55 -1.42 . . . . 1.0600000000000001 109.55 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.11 125.31 23.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.567 -0.961 . . . . 1.6100000000000001 109.965 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 27.6 m-85 -96.73 154.21 17.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.198 -0.939 . . . . 0.96999999999999997 109.207 179.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.8 m-85 -139.57 -174.74 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.59999999999999998 109.862 -179.695 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.1 p -153.52 159.16 42.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 1.1000000000000001 109.256 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.2 tp -149.13 129.2 13.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.529 -179.793 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.47 129.81 34.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.35 -0.843 . . . . 1.3600000000000001 109.379 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -123.77 117.04 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.11 -0.994 . . . . 1.1699999999999999 109.507 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.63 156.67 37.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.253 -0.905 . . . . 2.79 109.544 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.04 138.98 6.25 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.608 -1.397 . . . . 0.47999999999999998 109.608 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -79.83 -60.67 2.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -1.104 . . . . 3.2200000000000002 109.528 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.51 -38.02 76.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.323 -0.861 . . . . 2.21 109.667 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.483 ' NH1' HD12 ' D' ' 348' ' ' LEU . 5.4 tpp180 -62.8 -46.88 85.89 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.124 -0.985 . . . . 3.5499999999999998 109.579 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' D' ' 329' ' ' THR . 42.1 t80 -54.83 -51.36 66.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.425 -0.797 . . . . 0.52000000000000002 109.477 179.881 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.03 -32.92 36.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 1.6799999999999999 109.941 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.52 -52.07 62.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.134 -0.979 . . . . 1.1499999999999999 110.081 -179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -60.79 -51.82 67.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.33000000000000002 109.183 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.47 -38.05 41.75 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.439 -0.788 . . . . 3.02 109.38 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.75 -44.07 97.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.912 . . . . 1.75 109.683 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.86 -47.03 86.86 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 109.747 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -58.26 -42.89 87.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.264 -0.898 . . . . 1.21 109.775 -179.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 1.6899999999999999 109.769 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.2 89.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 1.0600000000000001 109.827 -179.657 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.519 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 75.3 mt -62.03 -43.47 98.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 1.0800000000000001 109.845 -179.7 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -60.96 -37.22 81.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 1.9299999999999999 109.711 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.513 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.4 tt -63.56 -48.7 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.358 -0.839 . . . . 1.1399999999999999 109.824 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . 27.8 ttmt -61.21 -40.7 94.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.324 -0.86 . . . . 2.1899999999999999 109.141 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.24 -33.18 67.3 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.543 -0.723 . . . . 1.4299999999999999 109.6 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.16 89.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 1.3100000000000001 109.337 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -81.12 0.89 34.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.3999999999999999 109.337 179.766 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -75.99 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.253 -0.904 . . . . 1.5700000000000001 109.836 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.42 60.8 4.79 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.722 -1.351 . . . . 1.53 109.722 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.88 133.41 33.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.282 -1.128 . . . . 4.5800000000000001 109.184 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.563 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 1.1 mt-10 -55.73 -55.93 35.43 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.334 -0.854 . . . . 5.6799999999999997 109.921 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 2.1 Cg_endo -67.4 -3.73 10.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.17 1.914 . . . . 6.0499999999999998 110.817 -179.656 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.956 -1.469 . . . . 7.2000000000000002 109.596 179.996 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 320' ' ' LYS . 13.9 tttt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.546 -0.539 . . . . 9.2200000000000006 109.546 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.481 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 14.8 mttm 60.74 153.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 8.5099999999999998 109.442 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.472 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 44.0 mttt 62.48 149.85 0.1 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 7.4199999999999999 109.588 179.864 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.53 90.89 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.314 2.009 . . . . 5.0499999999999998 110.645 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.492 ' N ' HD21 ' C' ' 323' ' ' LEU . 4.5 mm? -81.09 -0.94 42.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 5.1399999999999997 109.58 179.448 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.09 3.15 24.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 2.8500000000000001 109.838 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.26 137.92 31.92 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.545 -1.422 . . . . 1.27 109.545 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.87 125.35 23.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.538 -0.978 . . . . 2.1099999999999999 109.998 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 27.4 m-85 -96.81 154.34 17.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 1.01 109.198 179.386 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.4 m-85 -139.68 -174.78 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.133 -0.979 . . . . 0.57999999999999996 109.788 -179.632 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.0 p -153.53 159.13 42.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 1.1599999999999999 109.25 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.2 tp -149.08 129.26 13.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 1.1699999999999999 109.515 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.38 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.393 -0.817 . . . . 1.8100000000000001 109.415 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -123.79 117.11 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 1.1299999999999999 109.568 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.65 156.68 37.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.295 -0.878 . . . . 2.8199999999999998 109.508 179.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.94 6.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.648 -1.381 . . . . 0.45000000000000001 109.648 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.79 -60.7 2.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 3.0800000000000001 109.514 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.01 76.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -0.924 . . . . 2.54 109.607 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.44 ' NH1' HD12 ' A' ' 348' ' ' LEU . 5.4 tpp180 -62.88 -46.84 85.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.229 -0.919 . . . . 4.1100000000000003 109.543 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.7 t80 -54.94 -51.35 66.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.56999999999999995 109.336 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -52.08 -32.82 36.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 1.6599999999999999 109.942 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.62 -52.01 62.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 1.29 110.095 -179.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -60.84 -51.76 67.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 109.228 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.39 -38.07 40.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 3.8500000000000001 109.439 179.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.7 -44.11 97.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.328 -0.857 . . . . 1.78 109.781 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.83 -47.11 86.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.79 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.21 -42.85 87.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 1.2 109.878 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.823 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.25 89.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 1.0700000000000001 109.86 -179.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.471 HD12 ' NH1' ' A' ' 337' ' ' ARG . 75.2 mt -61.92 -43.52 98.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.356 -0.84 . . . . 1.1399999999999999 109.796 -179.741 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -60.96 -37.2 81.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 2.0899999999999999 109.672 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.434 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -63.57 -48.73 76.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.387 -0.821 . . . . 1.3799999999999999 109.75 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -61.19 -40.78 95.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 2.6800000000000002 109.115 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.25 -33.11 67.25 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.574 -0.704 . . . . 1.3400000000000001 109.613 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.27 89.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.283 -0.886 . . . . 1.3 109.418 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -81.11 0.97 33.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.34 -0.85 . . . . 1.8 109.428 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -75.95 0.11 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 1.47 109.881 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.45 60.76 4.79 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.691 -1.364 . . . . 1.6599999999999999 109.691 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.8 133.41 33.65 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.273 -1.133 . . . . 4.7800000000000002 109.178 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.575 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 1.1 mt-10 -55.85 -55.85 36.57 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.919 . . . . 6.1900000000000004 109.916 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.575 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.1 Cg_endo -67.39 -3.81 10.71 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.132 1.888 . . . . 6.1799999999999997 110.772 -179.642 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.993 -1.448 . . . . 6.9000000000000004 109.531 -179.886 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 320' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.328 0.585 . . . . 7.6900000000000004 109.489 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.483 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 14.7 mttm 60.75 153.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 7.4500000000000002 109.516 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.469 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 43.8 mttt 62.34 149.88 0.1 OUTLIER Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 6.8399999999999999 109.629 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.68 90.98 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.197 1.931 . . . . 5.1200000000000001 110.609 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.513 ' N ' HD21 ' D' ' 323' ' ' LEU . 4.5 mm? -81.02 -1.0 42.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.193 -0.942 . . . . 4.6600000000000001 109.563 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.03 3.07 24.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.152 -0.968 . . . . 2.46 109.889 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.551 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.32 137.99 31.89 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.528 -1.429 . . . . 1.0800000000000001 109.528 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.85 125.4 23.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.544 -0.974 . . . . 1.6699999999999999 109.964 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 27.9 m-85 -96.82 154.18 17.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.102 -0.999 . . . . 1.01 109.14 179.367 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.9 m-85 -139.58 -174.72 3.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.63 109.839 -179.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 19.9 p -153.55 159.16 42.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 1.1299999999999999 109.23 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.14 129.22 13.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 1.1000000000000001 109.519 -179.833 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.37 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.9 . . . . 1.3700000000000001 109.399 179.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.86 117.16 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.167 -0.958 . . . . 1.1499999999999999 109.542 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.66 156.64 37.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.869 . . . . 2.77 109.534 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.91 6.27 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.763 -1.335 . . . . 0.42999999999999999 109.763 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -79.87 -60.64 2.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.341 -1.094 . . . . 3.1200000000000001 109.505 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.04 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.836 . . . . 2.2200000000000002 109.515 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.519 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 5.5 tpp180 -62.86 -46.88 85.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.2 -0.937 . . . . 3.5 109.586 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.0 t80 -54.76 -51.41 65.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.5 109.459 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.21 -32.68 37.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.6899999999999999 109.919 -179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.7 -51.9 62.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 110.096 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.95 -51.76 67.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.32000000000000001 109.13 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.5 -38.03 42.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.36 -0.837 . . . . 2.96 109.383 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.66 -44.04 97.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.345 -0.847 . . . . 1.75 109.794 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -47.04 86.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.9 . . . . 1.0800000000000001 109.708 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.14 -42.91 86.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.902 . . . . 1.22 109.867 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -41.95 99.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 1.73 109.807 -179.689 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.28 89.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 1.0700000000000001 109.795 -179.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.483 HD12 ' NH1' ' B' ' 337' ' ' ARG . 75.1 mt -61.91 -43.42 98.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 1.1100000000000001 109.8 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.02 -37.23 81.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.9099999999999999 109.709 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 1.4 tt -63.55 -48.7 76.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 1.1699999999999999 109.723 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 27.8 ttmt -61.28 -40.77 95.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.321 -0.862 . . . . 2.1499999999999999 109.105 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.19 -33.07 67.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.556 -0.715 . . . . 1.4399999999999999 109.562 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.17 89.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.859 . . . . 1.3 109.325 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -81.06 0.83 34.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 1.3999999999999999 109.457 179.698 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -76.09 0.1 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 1.6000000000000001 109.893 -179.842 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.39 60.8 4.79 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.638 -1.385 . . . . 1.5 109.638 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.85 133.4 33.63 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.222 -1.163 . . . . 4.5499999999999998 109.204 179.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.567 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 1.1 mt-10 -55.75 -55.93 35.51 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 5.6699999999999999 109.933 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.1 Cg_endo -67.47 -3.65 10.5 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 122.128 1.885 . . . . 6.1200000000000001 110.803 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.457 -1.457 . . . . 7.2699999999999996 109.457 179.935 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 8.4 mttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.299 -0.63 . . . . 7.6600000000000001 109.299 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 1.0 OUTLIER 62.13 -118.23 0.63 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.141 -0.974 . . . . 7.5099999999999998 109.344 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.538 ' CB ' ' HD3' ' A' ' 322' ' ' PRO . 3.2 mttt -79.69 -55.79 0.82 Allowed Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 6.8099999999999996 110.057 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 321' ' ' LYS . 2.0 Cg_endo -62.8 114.63 2.5 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 121.886 1.724 . . . . 5.1500000000000004 110.339 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 34.5 mt -80.92 129.91 34.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 4.7000000000000002 109.315 179.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.23 -152.05 0.06 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 2.48 109.489 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 168.25 42.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.57 -1.412 . . . . 1.0800000000000001 109.57 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.14 139.15 53.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.192 -1.181 . . . . 1.7 109.282 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -94.67 160.12 14.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 1.04 109.701 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.9 m-85 -138.76 -168.77 2.48 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.191 -0.943 . . . . 0.65000000000000002 109.341 179.888 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.8 p -154.01 160.65 42.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.166 -0.959 . . . . 1.1399999999999999 109.566 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -149.45 130.03 13.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 1.0900000000000001 109.376 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -86.06 134.75 33.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.291 -0.881 . . . . 1.3700000000000001 109.593 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.491 HG22 ' CD2' ' A' ' 341' ' ' PHE . 47.9 mt -124.07 117.41 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.35 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 144.3 47.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.79 109.427 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.29 136.02 7.24 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.606 -1.398 . . . . 0.45000000000000001 109.606 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 68.8 ttt180 -81.15 -47.59 13.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -1.152 . . . . 3.1600000000000001 109.505 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -47.92 82.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.493 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.57 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 6.0 tpp180 -61.94 -42.35 99.01 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.304 -0.873 . . . . 3.54 109.713 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' C' ' 329' ' ' THR . 50.7 t80 -54.67 -49.0 71.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.346 -0.846 . . . . 0.5 109.449 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.24 -38.16 57.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 109.769 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.0 -46.9 87.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.233 -0.917 . . . . 1.1499999999999999 110.112 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD2' HG22 ' A' ' 332' ' ' ILE . 23.0 m-85 -60.76 -49.18 78.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.149 -0.97 . . . . 0.34000000000000002 109.137 -179.794 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -38.66 56.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.501 -0.749 . . . . 2.9399999999999999 109.569 179.818 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.24 66.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 1.74 110.089 -179.518 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 35.2 mt -59.65 -33.69 71.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.993 -1.067 . . . . 1.0700000000000001 108.939 -179.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -60.01 -54.07 50.32 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 1.22 109.801 179.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.78 -32.98 74.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.434 -0.792 . . . . 1.72 110.33 -179.497 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.43 -53.26 58.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 1.0700000000000001 109.961 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.486 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 51.8 mt -60.88 -43.15 98.83 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 1.0800000000000001 109.741 -179.56 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.61 -35.71 76.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.202 -0.936 . . . . 1.9099999999999999 109.713 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.4 tt -65.69 -46.22 79.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 109.553 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -37.84 84.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.406 -0.809 . . . . 2.1400000000000001 108.972 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.47 -33.76 68.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.602 -0.686 . . . . 1.4299999999999999 109.625 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -48.77 68.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 1.3 109.483 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.6 -0.4 42.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.499 -0.751 . . . . 1.4199999999999999 109.74 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.85 -42.16 70.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.189 -0.944 . . . . 1.5800000000000001 109.757 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -16.12 64.84 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.578 -1.409 . . . . 1.54 109.578 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.62 -90.23 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -1.097 . . . . 4.5499999999999998 109.37 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -48.61 109.2 1.1 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 5.71 109.344 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.77 -81.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.876 1.717 . . . . 6.0899999999999999 110.195 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.016 -1.436 . . . . 7.2400000000000002 109.587 -179.992 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 8.3 mttm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.244 -0.65 . . . . 7.6699999999999999 109.244 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 1.0 OUTLIER 61.97 -117.97 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.054 -1.029 . . . . 7.46 109.448 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.544 ' CB ' ' HD3' ' B' ' 322' ' ' PRO . 3.2 tttt -79.96 -55.68 0.79 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.837 -1.164 . . . . 6.79 110.003 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' B' ' 321' ' ' LYS . 2.1 Cg_endo -62.92 114.76 2.56 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.792 1.661 . . . . 5.1500000000000004 110.351 -179.903 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 35.1 mt -80.95 130.12 34.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 4.6600000000000001 109.321 179.805 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.44 -152.2 0.07 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.877 . . . . 2.4700000000000002 109.491 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.16 168.12 41.89 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.428 -1.469 . . . . 1.0600000000000001 109.428 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.21 139.31 53.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.192 -1.181 . . . . 1.6100000000000001 109.314 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.83 160.17 14.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.96999999999999997 109.663 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.4 m-85 -138.77 -168.93 2.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.59999999999999998 109.443 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.4 p -153.86 160.6 42.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 1.1000000000000001 109.594 -179.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -149.35 130.31 14.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.872 . . . . 1.1000000000000001 109.225 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -86.32 134.71 33.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.884 . . . . 1.3600000000000001 109.51 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.484 HG22 ' CD2' ' B' ' 341' ' ' PHE . 48.4 mt -124.06 117.51 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.394 179.777 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 144.26 47.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.938 . . . . 2.79 109.412 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.22 136.3 7.32 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.528 -1.429 . . . . 0.47999999999999998 109.528 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 68.7 ttt180 -81.38 -47.7 12.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.132 -1.216 . . . . 3.2200000000000002 109.492 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -48.11 81.09 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.384 -0.822 . . . . 2.21 109.394 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 6.1 tpp180 -61.74 -42.4 98.92 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.406 -0.809 . . . . 3.5499999999999998 109.799 -179.896 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 50.6 t80 -54.71 -49.02 71.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.257 -0.902 . . . . 0.52000000000000002 109.484 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.15 -38.04 56.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.433 -0.792 . . . . 1.6799999999999999 109.836 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.0 -47.03 86.59 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.355 -0.84 . . . . 1.1499999999999999 110.212 -179.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.484 ' CD2' HG22 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.78 -49.24 78.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.33000000000000002 109.124 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -38.8 56.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.384 -0.823 . . . . 3.02 109.536 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -52.46 65.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 110.09 -179.54 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.53 -33.61 71.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.992 . . . . 1.0700000000000001 108.987 -179.828 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.11 -54.08 50.18 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.549 -0.719 . . . . 1.21 109.805 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -62.76 -32.99 74.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 1.6899999999999999 110.279 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.4 -53.36 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.126 -0.984 . . . . 1.0600000000000001 109.953 -179.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 51.8 mt -60.74 -43.07 98.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 1.0800000000000001 109.715 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.77 -35.79 77.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 1.9299999999999999 109.642 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.4 tt -65.45 -46.45 79.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 1.1399999999999999 109.529 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -37.83 84.63 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.308 -0.87 . . . . 2.1899999999999999 109.049 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -57.31 -33.78 68.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.562 -0.712 . . . . 1.4299999999999999 109.691 179.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -48.69 68.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.3 -0.875 . . . . 1.3100000000000001 109.472 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -81.56 -0.72 43.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.412 -0.805 . . . . 1.3999999999999999 109.732 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.93 71.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.156 -0.965 . . . . 1.5700000000000001 109.689 -179.827 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -16.34 64.46 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.614 -1.394 . . . . 1.53 109.614 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.55 -89.93 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.194 -1.18 . . . . 4.5800000000000001 109.288 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -48.92 109.15 1.11 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.893 . . . . 5.6799999999999997 109.397 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -60.68 -81.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.961 1.774 . . . . 6.0499999999999998 110.165 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.985 -1.453 . . . . 7.2000000000000002 109.628 -179.988 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 8.3 mttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.254 -0.647 . . . . 9.2200000000000006 109.254 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 1.1 mmmt 61.93 -118.07 0.65 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 8.5099999999999998 109.469 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' CB ' ' HD3' ' C' ' 322' ' ' PRO . 3.3 mttt -79.85 -55.67 0.81 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.834 -1.166 . . . . 7.4199999999999999 110.042 -179.817 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' C' ' 321' ' ' LYS . 2.1 Cg_endo -63.07 114.82 2.61 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.752 1.635 . . . . 5.0499999999999998 110.297 -179.881 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 34.9 mt -81.01 130.15 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 5.1399999999999997 109.309 179.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.23 -152.09 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 2.8500000000000001 109.565 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 168.46 42.54 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.465 -1.454 . . . . 1.27 109.465 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.34 139.28 53.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.076 -1.249 . . . . 2.1099999999999999 109.337 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.81 160.19 14.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.243 -0.911 . . . . 1.01 109.617 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 83.2 m-85 -138.8 -168.68 2.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.359 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.6 p -154.08 160.48 41.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 1.1599999999999999 109.585 -179.84 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.3 tp -149.33 130.17 14.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 109.392 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.452 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.75 33.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 1.8100000000000001 109.517 -179.898 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.489 HG22 ' CD2' ' C' ' 341' ' ' PHE . 47.6 mt -123.99 117.31 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 1.1299999999999999 109.333 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 144.49 47.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 2.8199999999999998 109.367 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.01 136.27 7.21 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 0.45000000000000001 109.603 -179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 68.9 ttt180 -81.27 -47.61 13.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -1.177 . . . . 3.0800000000000001 109.486 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -47.84 82.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.924 . . . . 2.54 109.498 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 5.9 tpp180 -62.03 -42.38 99.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.269 -0.894 . . . . 4.1100000000000003 109.635 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -54.58 -48.91 71.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.262 -0.898 . . . . 0.56999999999999995 109.571 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -52.23 -38.18 57.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 1.6599999999999999 109.823 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.02 -46.8 87.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.21 -0.931 . . . . 1.29 110.185 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.489 ' CD2' HG22 ' C' ' 332' ' ' ILE . 23.0 m-85 -60.8 -49.23 78.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.40000000000000002 109.163 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -38.81 56.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.473 -0.767 . . . . 3.8500000000000001 109.605 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -52.14 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 1.78 110.155 -179.566 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.85 -33.56 71.95 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.115 -0.991 . . . . 1.1699999999999999 108.915 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.04 -54.03 50.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.516 -0.74 . . . . 1.2 109.781 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.84 -32.97 74.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.372 -0.83 . . . . 2.1200000000000001 110.31 -179.42 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.47 -53.28 58.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.06 -1.025 . . . . 1.0700000000000001 109.951 -179.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 52.8 mt -60.83 -43.24 98.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 109.65 -179.583 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.67 -35.54 76.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.63 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.441 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -65.66 -46.51 78.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 1.3799999999999999 109.503 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -37.78 84.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.436 -0.79 . . . . 2.6800000000000002 108.996 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.49 -33.8 68.4 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.438 -0.789 . . . . 1.3400000000000001 109.576 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -48.87 68.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 1.3 109.378 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.433 ' NE2' HD12 ' D' ' 350' ' ' LEU . 24.2 mt-30 -81.48 -0.69 42.94 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.418 -0.801 . . . . 1.8 109.772 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.69 -41.94 71.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 1.47 109.822 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 -16.21 64.48 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.521 -1.432 . . . . 1.6599999999999999 109.521 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.57 -90.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -1.184 . . . . 4.7800000000000002 109.343 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -48.88 109.0 1.06 Allowed Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 6.1900000000000004 109.418 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.69 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 121.896 1.731 . . . . 6.1799999999999997 110.27 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 118.024 -1.431 . . . . 6.9000000000000004 109.581 179.919 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 8.2 mttm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.405 -0.591 . . . . 7.6900000000000004 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 1.1 mmmt 61.79 -118.28 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.169 -0.957 . . . . 7.4500000000000002 109.423 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.536 ' CB ' ' HD3' ' D' ' 322' ' ' PRO . 3.3 mttt -79.79 -55.65 0.82 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.801 -1.187 . . . . 6.8399999999999999 110.043 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' D' ' 321' ' ' LYS . 2.1 Cg_endo -62.99 114.88 2.63 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.718 1.612 . . . . 5.1200000000000001 110.227 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 34.6 mt -80.99 130.03 34.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 4.6600000000000001 109.368 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.2 -152.08 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 2.46 109.552 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 168.32 42.61 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.465 -1.454 . . . . 1.0800000000000001 109.465 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.29 139.11 53.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.198 -1.178 . . . . 1.6699999999999999 109.315 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -94.69 160.2 14.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.193 -0.942 . . . . 1.01 109.684 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.0 m-85 -138.88 -168.88 2.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.359 -0.838 . . . . 0.63 109.428 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.85 160.69 42.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 1.1299999999999999 109.554 -179.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.4 tp -149.5 130.23 14.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.883 . . . . 1.1000000000000001 109.303 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.67 33.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.24 -0.912 . . . . 1.3700000000000001 109.609 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.492 HG22 ' CD2' ' D' ' 341' ' ' PHE . 47.9 mt -124.09 117.47 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -0.91 . . . . 1.1499999999999999 109.264 179.891 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 144.35 47.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.923 . . . . 2.77 109.4 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.21 136.34 7.34 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.616 -1.394 . . . . 0.42999999999999999 109.616 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 68.8 ttt180 -81.42 -47.56 13.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -1.153 . . . . 3.1200000000000001 109.437 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.383 -0.823 . . . . 2.2200000000000002 109.446 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 6.0 tpp180 -61.69 -42.42 98.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.446 -0.784 . . . . 3.5 109.772 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' B' ' 329' ' ' THR . 50.5 t80 -54.64 -49.07 71.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.286 -0.884 . . . . 0.5 109.453 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.16 -38.22 56.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 1.6899999999999999 109.815 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -61.93 -46.85 87.52 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.194 -0.941 . . . . 1.1399999999999999 110.15 -179.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.492 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.8 -49.27 78.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 0.32000000000000001 109.221 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -38.77 56.55 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.431 -0.793 . . . . 2.96 109.585 179.749 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -52.21 66.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.75 110.114 -179.525 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.76 -33.55 71.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.09 -1.006 . . . . 1.0800000000000001 108.939 -179.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.07 -54.07 50.3 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.512 -0.742 . . . . 1.22 109.775 179.781 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -62.81 -32.95 74.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.509 -0.744 . . . . 1.73 110.249 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.36 -53.34 57.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 1.0700000000000001 110.023 -179.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 52.6 mt -60.87 -43.03 98.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 1.1100000000000001 109.661 -179.537 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.7 -35.75 77.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -0.94 . . . . 1.9099999999999999 109.653 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 1.4 tt -65.37 -46.52 79.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 1.1699999999999999 109.557 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.438 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.37 -37.67 84.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.83 . . . . 2.1499999999999999 108.942 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.41 -33.81 68.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.547 -0.72 . . . . 1.4399999999999999 109.744 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.75 68.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 1.3 109.534 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.52 -0.53 42.4 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -0.824 . . . . 1.3999999999999999 109.763 -179.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.93 70.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.1 -1.0 . . . . 1.6000000000000001 109.814 -179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -16.09 64.72 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.562 -1.415 . . . . 1.5 109.562 -179.89 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -89.74 -90.18 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.201 -1.176 . . . . 4.5499999999999998 109.3 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -48.74 109.05 1.06 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 109.493 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.72 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 121.892 1.728 . . . . 6.1200000000000001 110.222 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.513 -1.435 . . . . 7.2699999999999996 109.513 179.965 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.278 0.561 . . . . 7.6600000000000001 109.507 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.94 22.6 13.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.342 -0.849 . . . . 7.5099999999999998 109.803 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 324' ' ' ASP . 15.8 mttt 59.34 73.54 0.67 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 6.8099999999999996 109.581 179.701 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.52 -84.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.155 1.903 . . . . 5.1500000000000004 110.731 -179.687 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.47 30.26 0.64 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 4.7000000000000002 110.329 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 321' ' ' LYS . 0.9 OUTLIER -79.23 -123.38 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.236 -0.915 . . . . 2.48 109.28 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 135.12 27.91 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.558 -1.417 . . . . 1.0800000000000001 109.558 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.53 140.56 58.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.525 -0.985 . . . . 1.7 109.732 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.78 146.99 23.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 1.04 109.099 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.9 m-85 -140.41 -169.97 2.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.158 -0.964 . . . . 0.65000000000000002 109.804 -179.718 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.9 p -153.15 165.04 36.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 1.1399999999999999 109.417 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.4 tp -149.89 133.39 16.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 1.0900000000000001 109.576 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.424 ' HA ' HG21 ' C' ' 329' ' ' THR . 1.0 OUTLIER -86.1 130.7 34.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.3700000000000001 109.39 179.792 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.7 mt -123.95 118.99 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.106 -0.997 . . . . 1.1499999999999999 109.667 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.82 151.67 40.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 2.79 109.57 179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.78 138.53 7.06 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.841 -1.303 . . . . 0.45000000000000001 109.841 179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 6.3 ttt180 -82.59 -58.02 3.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -1.127 . . . . 3.1600000000000001 109.473 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -43.01 87.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.203 -0.936 . . . . 2.2200000000000002 109.256 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.419 ' NH1' ' H2 ' ' A' ' 501' ' ' HOH . 0.4 OUTLIER -61.38 -41.82 97.71 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.241 -0.912 . . . . 3.54 109.342 179.846 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.5 t80 -54.82 -57.14 12.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.45 -0.781 . . . . 0.5 109.527 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.01 -30.78 16.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 1.6599999999999999 109.685 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.44 -50.85 68.12 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.105 -0.997 . . . . 1.1499999999999999 109.863 -179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.44 -50.55 72.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 0.34000000000000002 109.175 179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -51.08 -36.3 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.852 . . . . 2.9399999999999999 109.204 179.59 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.38 -49.43 77.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 1.74 109.707 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.28 -33.7 73.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -0.895 . . . . 1.0700000000000001 108.881 179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -59.0 -55.08 39.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.465 -0.772 . . . . 1.22 109.414 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.94 -27.36 69.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 1.72 109.856 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.0 -57.43 12.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 110.123 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.7 -40.93 94.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 1.0800000000000001 109.579 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.41 -36.45 75.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.9099999999999999 109.425 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 11.2 tp -64.95 -40.14 94.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 1.1499999999999999 109.382 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.86 70.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.433 -0.792 . . . . 2.1400000000000001 109.067 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.32 -31.07 63.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.595 -0.691 . . . . 1.4299999999999999 109.745 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.85 89.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.3 109.827 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -81.26 -4.61 56.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.4199999999999999 109.748 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.63 44.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.078 -1.014 . . . . 1.5800000000000001 109.333 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.2 4.65 75.64 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.853 -1.299 . . . . 1.54 109.853 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -86.08 114.44 22.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -1.197 . . . . 4.5499999999999998 109.372 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.444 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.9 OUTLIER -50.77 158.29 1.16 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 5.71 109.546 -179.865 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 3.1 Cg_exo -61.03 143.65 99.27 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.179 1.919 . . . . 6.0899999999999999 110.272 179.848 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.458 -1.457 . . . . 7.2400000000000002 109.458 -179.988 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.32 0.581 . . . . 7.6699999999999999 109.555 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 22.63 13.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 7.46 109.796 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.44 ' HB3' ' CB ' ' B' ' 324' ' ' ASP . 15.8 mttt 59.28 73.52 0.68 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.23 -0.918 . . . . 6.79 109.582 179.711 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.44 -84.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.23 1.953 . . . . 5.1500000000000004 110.742 -179.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.33 30.17 0.63 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.039 -1.038 . . . . 4.6600000000000001 110.403 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.44 ' CB ' ' HB3' ' B' ' 321' ' ' LYS . 0.9 OUTLIER -79.16 -123.6 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.274 -0.891 . . . . 2.4700000000000002 109.2 -179.958 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 135.08 28.44 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.519 -1.432 . . . . 1.0600000000000001 109.519 -179.869 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.63 140.42 58.15 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.564 -0.963 . . . . 1.6100000000000001 109.672 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -94.76 147.02 23.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.96999999999999997 109.042 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -140.37 -169.94 2.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.125 -0.984 . . . . 0.59999999999999998 109.81 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.7 p -153.25 165.07 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 1.1000000000000001 109.403 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.4 tp -149.83 133.61 16.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.64 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 130.66 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.856 . . . . 1.3600000000000001 109.38 179.754 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -124.0 119.03 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 109.592 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.76 151.7 40.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 2.79 109.546 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 138.61 7.08 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.819 -1.312 . . . . 0.47999999999999998 109.819 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 6.3 ttt180 -82.69 -58.05 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -1.116 . . . . 3.2200000000000002 109.34 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.23 -43.01 87.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.899 . . . . 2.21 109.246 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.412 ' NH1' ' H2 ' ' B' ' 503' ' ' HOH . 0.4 OUTLIER -61.44 -41.81 97.77 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 3.5499999999999998 109.226 179.898 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.6 t80 -54.79 -57.16 12.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.487 -0.758 . . . . 0.52000000000000002 109.468 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.07 -30.72 16.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 1.6799999999999999 109.662 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.51 -50.87 67.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 109.847 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.46 -50.41 72.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.189 -0.945 . . . . 0.33000000000000002 109.155 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -51.19 -36.31 40.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 3.02 109.265 179.576 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.38 -49.44 77.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.255 -0.903 . . . . 1.75 109.668 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.14 -33.76 73.92 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 1.0700000000000001 108.908 179.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.4 ' O ' ' HG3' ' B' ' 349' ' ' GLU . 17.4 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.477 -0.764 . . . . 1.21 109.269 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.83 -27.4 69.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 1.6899999999999999 109.841 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -57.33 12.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 1.0600000000000001 110.129 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.81 -40.91 94.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.613 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 18.8 mt-10 -59.41 -36.27 75.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.216 -0.927 . . . . 1.9299999999999999 109.526 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.03 -40.09 94.33 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 1.1399999999999999 109.349 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.402 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.01 -50.7 70.99 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.452 -0.78 . . . . 2.1899999999999999 109.001 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.49 -30.97 63.59 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.661 -0.649 . . . . 1.4299999999999999 109.689 179.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.892 . . . . 1.3100000000000001 109.824 -179.585 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -81.23 -4.63 56.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.173 -0.954 . . . . 1.3999999999999999 109.734 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.74 -49.74 43.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.087 -1.008 . . . . 1.5700000000000001 109.313 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.13 4.61 75.46 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.818 -1.313 . . . . 1.53 109.818 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -86.03 114.32 22.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -1.181 . . . . 4.5800000000000001 109.397 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.444 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 0.9 OUTLIER -50.71 158.3 1.14 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.361 -0.837 . . . . 5.6799999999999997 109.624 -179.887 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -61.08 143.62 99.07 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.172 1.915 . . . . 6.0499999999999998 110.299 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 117.936 -1.48 . . . . 7.2000000000000002 109.498 179.993 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.8 tttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.3 0.571 . . . . 9.2200000000000006 109.504 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.86 22.55 13.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 8.5099999999999998 109.82 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.438 ' HB3' ' CB ' ' C' ' 324' ' ' ASP . 15.8 mttt 59.39 73.47 0.68 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.173 -0.954 . . . . 7.4199999999999999 109.625 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.45 -84.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.242 1.961 . . . . 5.0499999999999998 110.746 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.41 30.16 0.64 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.106 -0.996 . . . . 5.1399999999999997 110.374 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' C' ' 321' ' ' LYS . 0.9 OUTLIER -79.16 -123.43 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.262 -0.899 . . . . 2.8500000000000001 109.267 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.81 134.91 28.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.613 -1.395 . . . . 1.27 109.613 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.39 140.49 58.02 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.497 -1.002 . . . . 2.1099999999999999 109.752 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.87 147.13 23.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 1.01 109.024 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.3 m-85 -140.47 -169.98 2.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.57999999999999996 109.867 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.7 p -153.2 165.03 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.291 -0.881 . . . . 1.1599999999999999 109.46 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.4 tp -149.81 133.54 16.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.146 -0.972 . . . . 1.1699999999999999 109.613 -179.593 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.36 130.69 34.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 1.8100000000000001 109.33 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.9 mt -123.96 118.94 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 1.1299999999999999 109.687 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.63 151.74 40.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 2.8199999999999998 109.565 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.73 138.57 7.05 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.855 -1.298 . . . . 0.45000000000000001 109.855 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 6.3 ttt180 -82.71 -58.01 3.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -1.107 . . . . 3.0800000000000001 109.401 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 -42.93 87.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.54 109.204 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.426 ' NH1' ' H2 ' ' D' ' 502' ' ' HOH . 0.4 OUTLIER -61.52 -41.76 97.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.326 -0.859 . . . . 4.1100000000000003 109.292 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.6 t80 -54.83 -57.19 12.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.784 . . . . 0.56999999999999995 109.479 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.14 -30.65 17.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.6599999999999999 109.689 -179.802 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.48 -50.84 68.08 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.162 -0.961 . . . . 1.29 109.865 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.4 -50.47 72.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.40000000000000002 109.207 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -51.15 -36.25 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 3.8500000000000001 109.303 179.542 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.52 -49.25 78.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.881 . . . . 1.78 109.644 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.38 -33.62 73.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 1.1699999999999999 108.876 179.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' C' ' 349' ' ' GLU . 17.4 t-20 -59.09 -55.1 39.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.442 -0.786 . . . . 1.2 109.36 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.92 -27.44 69.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.448 -0.783 . . . . 2.1200000000000001 109.833 -179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.99 -57.32 13.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 110.198 -179.56 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.81 -40.84 94.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.111 -0.993 . . . . 1.1399999999999999 109.643 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 18.8 mt-10 -59.45 -36.41 75.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 2.0899999999999999 109.433 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.97 -40.16 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.795 . . . . 1.3799999999999999 109.307 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -50.66 71.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.448 -0.783 . . . . 2.6800000000000002 109.082 179.789 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.54 -30.89 63.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.639 -0.663 . . . . 1.3400000000000001 109.777 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 1.3 109.854 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -81.26 -4.62 56.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.8 109.76 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.65 44.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.133 -0.979 . . . . 1.47 109.327 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.28 4.71 75.82 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.822 -1.311 . . . . 1.6599999999999999 109.822 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -85.94 114.35 22.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.169 -1.195 . . . . 4.7800000000000002 109.422 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.434 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 0.9 OUTLIER -50.69 158.26 1.14 Allowed Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 6.1900000000000004 109.674 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.01 143.58 99.34 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.148 1.899 . . . . 6.1799999999999997 110.28 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.914 -1.492 . . . . 6.9000000000000004 109.589 179.933 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.252 0.549 . . . . 7.6900000000000004 109.576 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.89 22.65 13.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.896 . . . . 7.4500000000000002 109.831 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.438 ' HB3' ' CB ' ' D' ' 324' ' ' ASP . 15.8 mttt 59.32 73.51 0.67 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.145 -0.972 . . . . 6.8399999999999999 109.564 179.678 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.5 -84.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.215 1.943 . . . . 5.1200000000000001 110.727 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.44 30.31 0.63 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.04 -1.038 . . . . 4.6600000000000001 110.332 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' D' ' 321' ' ' LYS . 0.9 OUTLIER -79.23 -123.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.25 -0.906 . . . . 2.46 109.214 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 135.08 27.96 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.563 -1.415 . . . . 1.0800000000000001 109.563 -179.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.6 140.59 58.12 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.606 -0.938 . . . . 1.6699999999999999 109.681 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -94.86 147.05 23.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.905 . . . . 1.01 109.092 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.0 m-85 -140.39 -169.96 2.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.055 -1.028 . . . . 0.63 109.789 -179.623 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.8 p -153.24 164.88 37.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.1299999999999999 109.391 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -149.77 133.6 16.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 1.1000000000000001 109.627 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.26 130.64 34.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.28 -0.888 . . . . 1.3700000000000001 109.333 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.1 mt -124.06 118.89 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.97 . . . . 1.1499999999999999 109.652 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.66 151.7 40.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 2.77 109.582 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.41 7.04 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.819 -1.312 . . . . 0.42999999999999999 109.819 179.72 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 6.3 ttt180 -82.64 -57.99 3.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -1.053 . . . . 3.1200000000000001 109.417 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -42.91 87.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.2200000000000002 109.268 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.437 ' NH1' ' H2 ' ' D' ' 504' ' ' HOH . 0.4 OUTLIER -61.53 -41.77 97.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.335 -0.853 . . . . 3.5 109.337 179.839 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.6 t80 -54.75 -57.12 12.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.524 -0.735 . . . . 0.5 109.57 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.12 -30.66 16.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 1.6899999999999999 109.668 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.59 -51.0 67.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.149 -0.969 . . . . 1.1399999999999999 109.681 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.39 -50.46 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.32000000000000001 109.202 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -51.05 -36.38 39.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.443 -0.786 . . . . 2.96 109.308 179.495 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.3 -49.47 77.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 1.75 109.718 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.21 -33.84 74.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 108.921 179.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' D' ' 349' ' ' GLU . 17.3 t-20 -58.85 -55.23 37.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.539 -0.726 . . . . 1.22 109.367 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.86 -27.4 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 1.73 109.83 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.02 -57.45 12.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 1.0700000000000001 110.116 -179.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.73 -40.89 94.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 1.1100000000000001 109.659 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 18.9 mt-10 -59.34 -36.42 75.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.14 -0.975 . . . . 1.9099999999999999 109.548 179.833 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.99 -40.15 94.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.315 -0.866 . . . . 1.1699999999999999 109.335 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.77 70.94 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.442 -0.786 . . . . 2.1499999999999999 109.08 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.742 -0.599 . . . . 1.4399999999999999 109.69 179.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.67 89.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 1.3 109.822 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -81.26 -4.68 56.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.15 -0.969 . . . . 1.3999999999999999 109.689 -179.827 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.73 43.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.094 -1.004 . . . . 1.6000000000000001 109.319 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.09 4.53 75.65 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.87 -1.292 . . . . 1.5 109.87 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -85.94 114.33 22.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.129 -1.218 . . . . 4.5499999999999998 109.406 -179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.434 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 0.9 OUTLIER -50.78 158.3 1.15 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.255 -0.903 . . . . 5.6699999999999999 109.655 -179.902 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 3.2 Cg_exo -61.05 143.61 99.16 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.098 1.865 . . . . 6.1200000000000001 110.309 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.02 -1.433 . . . . 7.2699999999999996 109.561 179.959 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . 0.419 ' H2 ' ' NH1' ' A' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . 0.412 ' H2 ' ' NH1' ' B' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . 0.426 ' H2 ' ' NH1' ' C' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . 0.437 ' H2 ' ' NH1' ' D' ' 337' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.345 -0.613 . . . . 7.6600000000000001 109.345 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.87 153.27 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 7.5099999999999998 109.452 -179.885 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.492 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 25.2 tttt 60.91 61.08 3.2 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 6.8099999999999996 109.761 179.872 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.1 Cg_exo -60.96 177.47 0.68 Allowed 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.182 1.921 . . . . 5.1500000000000004 109.971 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 73.8 mt -80.51 91.28 5.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 4.7000000000000002 109.582 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -83.2 -179.0 7.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.497 -0.752 . . . . 2.48 109.367 179.615 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.4 165.88 49.12 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.538 . . . . 1.0800000000000001 109.254 179.547 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -58.58 132.77 54.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 1.7 109.508 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' CB ' ' A' ' 324' ' ' ASP . 11.9 m-85 -94.51 155.89 16.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 1.04 109.509 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.5 m-85 -140.11 -170.39 2.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.65000000000000002 109.679 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.0 p -153.89 155.45 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 1.1399999999999999 109.388 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.98 131.94 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.0900000000000001 109.445 -179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 109.196 179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.407 HD12 ' CB ' ' A' ' 341' ' ' PHE . 46.0 mt -123.99 116.76 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 1.1499999999999999 109.695 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.04 148.68 41.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 2.79 109.612 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.11 8.19 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.704 -1.359 . . . . 0.45000000000000001 109.704 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.0 ttt-85 -77.63 -56.06 4.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.35 -1.088 . . . . 3.1600000000000001 109.384 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.21 88.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 2.2200000000000002 109.423 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.62 -45.42 92.0 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.312 -0.868 . . . . 3.54 109.686 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -54.5 -57.42 11.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.347 -0.845 . . . . 0.5 109.429 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.31 -36.71 43.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 1.6599999999999999 109.96 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.91 -47.59 82.61 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.271 -0.893 . . . . 1.1499999999999999 110.1 -179.449 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.407 ' CB ' HD12 ' A' ' 332' ' ' ILE . 25.5 m-85 -61.79 -53.93 49.3 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.272 -0.892 . . . . 0.34000000000000002 109.257 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.3 -37.52 36.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.4 -0.813 . . . . 2.9399999999999999 109.536 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.74 -45.17 95.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 1.74 109.693 -179.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.46 -43.76 98.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.377 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -57.26 -46.88 82.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.299 -0.876 . . . . 1.22 109.697 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.0 -35.96 80.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.72 109.736 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.01 75.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 110.129 -179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.97 -42.31 98.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.674 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.99 -39.47 85.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.906 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.441 HD13 ' OE1' ' B' ' 354' ' ' GLN . 13.3 tp -63.74 -44.47 93.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 109.677 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -61.37 -39.28 90.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 2.1400000000000001 109.137 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.424 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 8.2 m-20 -56.61 -37.08 70.18 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.877 179.866 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.75 87.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.855 . . . . 1.3 109.386 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.434 ' OE1' HD13 ' B' ' 350' ' ' LEU . 21.3 mt-30 -81.5 -1.88 47.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.4199999999999999 109.559 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -69.74 -87.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 1.5800000000000001 109.232 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.46 97.04 1.05 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.209 -1.557 . . . . 1.54 109.209 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -88.11 -90.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -1.175 . . . . 4.5499999999999998 109.783 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.434 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 3.0 mt-10 -48.82 172.05 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.291 -0.88 . . . . 5.71 109.653 -179.744 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 1.8 Cg_endo -67.96 -2.63 9.06 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.304 2.003 . . . . 6.0899999999999999 110.58 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.997 -1.446 . . . . 7.2400000000000002 109.508 -179.989 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.386 -0.598 . . . . 7.6699999999999999 109.386 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.84 153.17 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 7.46 109.436 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 25.0 tttt 60.9 61.13 3.2 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.363 -0.836 . . . . 6.79 109.833 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.1 Cg_exo -60.98 177.55 0.67 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.176 1.917 . . . . 5.1500000000000004 110.019 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 73.0 mt -80.56 91.33 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 4.6600000000000001 109.607 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -83.23 -178.94 7.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 2.4700000000000002 109.357 179.683 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.45 165.89 49.24 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.172 -1.571 . . . . 1.0600000000000001 109.172 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -58.55 132.71 54.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -1.193 . . . . 1.6100000000000001 109.549 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.441 ' OH ' ' CB ' ' B' ' 324' ' ' ASP . 11.6 m-85 -94.43 155.89 16.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.96999999999999997 109.513 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 64.3 m-85 -140.22 -170.57 3.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.59999999999999998 109.659 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 38.9 p -153.81 155.49 35.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.1000000000000001 109.398 -179.833 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.93 131.82 16.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.286 -0.884 . . . . 1.1000000000000001 109.451 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.65 33.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 1.3600000000000001 109.185 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.408 HD12 ' CB ' ' B' ' 341' ' ' PHE . 45.8 mt -123.98 116.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.182 -0.949 . . . . 1.1699999999999999 109.608 -179.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -74.21 148.84 41.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.348 -0.845 . . . . 2.79 109.584 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.21 136.98 8.06 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.834 -1.306 . . . . 0.47999999999999998 109.834 179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.505 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.0 ttt-85 -77.54 -56.07 4.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -1.129 . . . . 3.2200000000000002 109.418 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.97 88.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.869 . . . . 2.21 109.481 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.244 -0.91 . . . . 3.5499999999999998 109.702 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.8 t80 -54.56 -57.39 11.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.52000000000000002 109.449 -179.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -51.3 -36.68 43.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.6799999999999999 109.975 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.178 -0.951 . . . . 1.1499999999999999 110.092 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CB ' HD12 ' B' ' 332' ' ' ILE . 25.5 m-85 -61.8 -53.84 50.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 0.33000000000000002 109.264 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.34 -37.49 37.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.358 -0.839 . . . . 3.02 109.611 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.59 -45.28 94.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 1.75 109.704 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 109.433 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -57.31 -46.94 82.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.21 109.605 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.85 -36.1 80.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.6899999999999999 109.714 -179.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.1 75.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.378 -0.826 . . . . 1.0600000000000001 110.12 -179.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.93 -42.25 97.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 1.0800000000000001 109.724 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.91 -39.66 86.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.9299999999999999 109.767 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.434 HD13 ' OE1' ' A' ' 354' ' ' GLN . 13.3 tp -63.69 -44.48 93.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.673 -179.676 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.42 -39.15 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.426 -0.796 . . . . 2.1899999999999999 109.106 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.426 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 8.1 m-20 -56.67 -37.13 70.41 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.571 -0.706 . . . . 1.4299999999999999 109.782 179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.81 87.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 1.3100000000000001 109.405 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.441 ' OE1' HD13 ' A' ' 350' ' ' LEU . 21.3 mt-30 -81.44 -1.93 47.65 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -0.844 . . . . 1.3999999999999999 109.566 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -69.7 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.274 -0.891 . . . . 1.5700000000000001 109.292 179.818 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.42 97.09 1.05 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.256 -1.538 . . . . 1.53 109.256 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.23 -90.68 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.133 -1.216 . . . . 4.5800000000000001 109.769 -179.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.437 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 3.0 mt-10 -48.83 171.94 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 5.6799999999999997 109.607 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 1.8 Cg_endo -67.9 -2.58 8.93 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.275 1.983 . . . . 6.0499999999999998 110.603 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.932 -1.482 . . . . 7.2000000000000002 109.502 179.959 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.439 -0.578 . . . . 9.2200000000000006 109.439 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.79 153.16 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 8.5099999999999998 109.42 -179.889 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 24.9 tttt 61.02 61.14 3.1 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 7.4199999999999999 109.772 179.914 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.1 Cg_exo -61.04 177.59 0.68 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.197 1.931 . . . . 5.0499999999999998 109.9 179.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 72.6 mt -80.51 91.19 5.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.018 . . . . 5.1399999999999997 109.587 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' C' ' 327' ' ' TYR . 0.9 OUTLIER -83.13 -178.92 7.27 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.452 -0.78 . . . . 2.8500000000000001 109.404 179.586 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.49 165.9 49.31 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.226 -1.55 . . . . 1.27 109.226 179.564 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -58.67 132.79 54.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.237 . . . . 2.1099999999999999 109.479 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' CB ' ' C' ' 324' ' ' ASP . 11.7 m-85 -94.52 155.92 16.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 1.01 109.577 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.4 m-85 -140.2 -170.53 2.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.958 . . . . 0.57999999999999996 109.646 -179.895 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 38.5 p -153.82 155.44 35.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 1.1599999999999999 109.367 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.9 131.89 16.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 1.1699999999999999 109.494 -179.809 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.71 33.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -0.882 . . . . 1.8100000000000001 109.134 179.809 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.409 HD12 ' CB ' ' C' ' 341' ' ' PHE . 45.4 mt -124.02 116.73 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 1.1299999999999999 109.742 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.06 148.65 41.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 2.8199999999999998 109.572 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.07 8.17 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.765 -1.334 . . . . 0.45000000000000001 109.765 179.716 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt-85 -77.59 -56.23 4.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.26 -1.141 . . . . 3.0800000000000001 109.365 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.09 87.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 2.54 109.472 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.84 -45.3 92.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.393 -0.817 . . . . 4.1100000000000003 109.631 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.7 t80 -54.55 -57.43 11.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.56999999999999995 109.474 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.16 -36.74 42.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.6599999999999999 109.99 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.97 -47.58 82.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.252 -0.905 . . . . 1.29 110.033 -179.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.409 ' CB ' HD12 ' C' ' 332' ' ' ILE . 25.4 m-85 -61.94 -53.82 50.41 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.187 -0.945 . . . . 0.40000000000000002 109.248 -179.865 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -50.3 -37.49 36.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.314 -0.866 . . . . 3.8500000000000001 109.587 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.73 -45.13 95.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.107 -0.995 . . . . 1.78 109.696 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.68 -43.53 98.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.351 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -57.35 -46.93 82.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 1.2 109.573 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -36.12 80.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.354 -0.841 . . . . 2.1200000000000001 109.803 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.07 75.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 1.0700000000000001 110.128 -179.571 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.9 -42.34 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 1.1399999999999999 109.652 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.92 -39.6 86.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.29 -0.881 . . . . 2.0899999999999999 109.841 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.66 -44.49 93.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 1.3799999999999999 109.714 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.38 -39.17 89.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.362 -0.837 . . . . 2.6800000000000002 109.177 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 8.2 m-20 -56.66 -37.05 70.28 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.546 -0.721 . . . . 1.3400000000000001 109.864 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.86 87.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 1.3 109.479 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -81.45 -1.89 47.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.331 -0.856 . . . . 1.8 109.597 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -69.69 -87.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.156 -0.965 . . . . 1.47 109.32 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.43 96.94 1.04 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.355 -1.498 . . . . 1.6599999999999999 109.355 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.03 -90.73 0.12 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -1.166 . . . . 4.7800000000000002 109.844 -179.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.444 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 3.0 mt-10 -48.71 171.95 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 6.1900000000000004 109.633 -179.846 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.444 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 1.8 Cg_endo -67.88 -2.66 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.282 1.988 . . . . 6.1799999999999997 110.609 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.997 -1.446 . . . . 6.9000000000000004 109.504 179.985 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 20.2 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.414 -0.588 . . . . 7.6900000000000004 109.414 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 153.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 7.4500000000000002 109.462 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.488 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 24.9 tttt 60.94 61.04 3.19 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 6.8399999999999999 109.79 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -61.0 177.56 0.67 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.202 1.935 . . . . 5.1200000000000001 110.01 179.732 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.57 91.25 5.78 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 4.6600000000000001 109.663 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.447 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 0.9 OUTLIER -83.1 -179.1 7.33 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.506 -0.746 . . . . 2.46 109.444 179.651 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.38 165.89 49.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.27 -1.532 . . . . 1.0800000000000001 109.27 179.525 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -58.63 132.81 54.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -1.203 . . . . 1.6699999999999999 109.438 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.447 ' OH ' ' CB ' ' D' ' 324' ' ' ASP . 11.8 m-85 -94.57 155.96 16.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 1.01 109.501 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.6 m-85 -140.23 -170.51 2.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -0.945 . . . . 0.63 109.637 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.0 p -153.81 155.41 35.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.1299999999999999 109.369 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.92 131.9 16.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 1.1000000000000001 109.484 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 31.7 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 1.3700000000000001 109.13 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.401 HD12 ' CB ' ' D' ' 341' ' ' PHE . 45.3 mt -123.98 116.72 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.709 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -74.0 148.76 41.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.347 -0.846 . . . . 2.77 109.564 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.33 136.96 8.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.76 -1.336 . . . . 0.42999999999999999 109.76 179.668 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.51 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 2.0 ttt-85 -77.54 -56.12 4.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.228 -1.16 . . . . 3.1200000000000001 109.412 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -43.04 88.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.42 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.71 -45.43 92.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.3 -0.875 . . . . 3.5 109.687 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.8 t80 -54.56 -57.37 11.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.5 109.486 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.22 -36.83 43.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.317 -0.865 . . . . 1.6899999999999999 109.95 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.8 -47.7 82.32 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 1.1399999999999999 110.104 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.401 ' CB ' HD12 ' D' ' 332' ' ' ILE . 25.3 m-85 -61.74 -53.91 49.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.32000000000000001 109.178 -179.866 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.39 -37.45 37.65 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.433 -0.792 . . . . 2.96 109.546 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.64 -45.25 94.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.22 -0.925 . . . . 1.75 109.632 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.63 -43.54 98.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.167 -0.958 . . . . 1.0800000000000001 109.42 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -57.3 -46.96 82.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.22 109.668 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.86 -36.02 79.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 1.73 109.813 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 1.0700000000000001 110.112 -179.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.92 -42.42 98.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 1.1100000000000001 109.676 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -59.94 -39.57 85.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 1.9099999999999999 109.85 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.6 -44.49 93.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.712 -179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.47 -39.2 90.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.339 -0.851 . . . . 2.1499999999999999 109.096 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 8.1 m-20 -56.58 -37.12 70.17 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 109.866 179.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.82 87.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.3 109.342 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -81.43 -1.91 47.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.347 -0.846 . . . . 1.3999999999999999 109.637 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -69.74 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.6000000000000001 109.242 179.806 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.46 96.97 1.05 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.374 -1.49 . . . . 1.5 109.374 179.689 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.04 -90.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -1.164 . . . . 4.5499999999999998 109.842 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.443 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 3.0 mt-10 -48.77 172.04 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.257 -0.902 . . . . 5.6699999999999999 109.642 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -67.94 -2.64 9.07 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.317 2.011 . . . . 6.1200000000000001 110.556 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.914 -1.492 . . . . 7.2699999999999996 109.493 179.988 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.452 -0.573 . . . . 7.6600000000000001 109.452 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.67 28.9 17.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.186 -0.946 . . . . 7.5099999999999998 109.391 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 59.52 71.52 0.91 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.904 . . . . 6.8099999999999996 109.28 -179.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.89 125.9 18.31 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.205 1.937 . . . . 5.1500000000000004 110.442 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.5 mt -84.85 44.04 1.04 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.941 . . . . 4.7000000000000002 109.785 179.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.15 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.487 -0.758 . . . . 2.48 109.527 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 160.43 49.47 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.539 -1.424 . . . . 1.0800000000000001 109.539 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.3 143.62 44.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -1.154 . . . . 1.7 109.622 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 13.4 m-85 -93.55 155.37 17.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 1.04 109.401 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.0 m-85 -139.26 -170.13 2.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.65000000000000002 109.572 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.5 p -153.52 160.72 42.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.271 -0.893 . . . . 1.1399999999999999 109.561 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -149.12 133.18 17.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.272 -0.893 . . . . 1.0900000000000001 109.432 -179.79 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -85.88 130.87 34.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.253 -0.905 . . . . 1.3700000000000001 109.647 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 58.6 mt -123.93 120.44 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.488 179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.57 152.95 40.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 2.79 109.525 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.14 137.02 3.86 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.802 -1.319 . . . . 0.45000000000000001 109.802 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttp180 -82.98 -52.07 7.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -1.118 . . . . 3.1600000000000001 109.407 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.13 -46.75 85.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 2.2200000000000002 109.241 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.67 -40.06 90.7 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.327 -0.858 . . . . 3.54 109.325 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' C' ' 329' ' ' THR . 55.8 t80 -55.38 -54.95 37.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.395 -0.815 . . . . 0.5 109.658 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.4 -36.02 30.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.971 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -62.7 -47.86 81.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.158 -0.964 . . . . 1.1499999999999999 109.928 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.359 -0.838 . . . . 0.34000000000000002 109.306 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.34 -36.75 44.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.875 . . . . 2.9399999999999999 109.639 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.17 -50.01 75.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.045 -1.034 . . . . 1.74 109.712 -179.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.07 -34.22 74.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 1.0700000000000001 108.849 179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.24 -55.09 39.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.441 -0.787 . . . . 1.22 109.559 179.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.13 -28.24 69.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.785 . . . . 1.72 109.807 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.77 -52.53 65.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.136 -0.978 . . . . 1.0700000000000001 110.1 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.09 -41.23 96.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.249 -0.907 . . . . 1.0800000000000001 109.639 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.44 -36.94 76.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.538 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.35 -45.08 89.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.284 -0.885 . . . . 1.1499999999999999 109.718 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.477 ' HA ' HD23 ' B' ' 350' ' ' LEU . 6.1 ttmt -61.8 -38.86 89.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.247 -0.908 . . . . 2.1400000000000001 109.136 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.1 -34.41 65.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 1.4299999999999999 109.621 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.68 70.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.347 -0.846 . . . . 1.3 109.589 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.26 2.0 29.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.4199999999999999 109.783 -179.876 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.03 -81.32 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.082 -1.011 . . . . 1.5800000000000001 109.266 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 39.39 3.01 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.735 -1.346 . . . . 1.54 109.735 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -87.4 111.12 20.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -1.181 . . . . 4.5499999999999998 109.395 179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 138.86 19.59 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 5.71 109.575 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.45 -160.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.075 1.85 . . . . 6.0899999999999999 110.158 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.981 -1.455 . . . . 7.2400000000000002 109.595 179.953 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.442 -0.577 . . . . 7.6699999999999999 109.442 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.82 28.77 17.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.203 -0.936 . . . . 7.46 109.37 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 59.61 71.52 0.9 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 6.79 109.304 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.0 125.97 18.4 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.26 1.973 . . . . 5.1500000000000004 110.456 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.94 44.04 1.04 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 4.6600000000000001 109.729 179.824 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 2.1 m-20 -79.21 -145.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.302 -0.874 . . . . 2.4700000000000002 109.497 -179.812 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.08 160.51 48.54 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.556 -1.417 . . . . 1.0600000000000001 109.556 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.46 143.7 44.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -1.085 . . . . 1.6100000000000001 109.632 -179.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.7 m-85 -93.54 155.4 17.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 0.96999999999999997 109.337 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -139.24 -170.03 2.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.59999999999999998 109.579 -179.897 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.483 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.5 p -153.59 160.63 42.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.144 -0.973 . . . . 1.1000000000000001 109.546 -179.823 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.5 tp -149.11 133.21 17.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.1000000000000001 109.408 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 36.3 tt0 -85.9 131.05 34.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 1.3600000000000001 109.64 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 59.0 mt -124.02 120.46 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.211 -0.931 . . . . 1.1699999999999999 109.451 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.66 152.86 40.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.249 -0.907 . . . . 2.79 109.526 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.28 136.95 3.92 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.81 -1.316 . . . . 0.47999999999999998 109.81 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 18.2 ttp180 -82.96 -52.16 6.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.343 -1.092 . . . . 3.2200000000000002 109.384 179.852 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.93 -46.94 84.25 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 2.21 109.205 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.52 -40.23 90.71 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.339 -0.851 . . . . 3.5499999999999998 109.341 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' D' ' 329' ' ' THR . 55.9 t80 -55.29 -54.93 37.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.52000000000000002 109.721 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.42 -36.03 31.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.813 . . . . 1.6799999999999999 109.91 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.58 -47.9 81.79 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.122 -0.986 . . . . 1.1499999999999999 109.977 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.3 -51.31 69.41 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.159 -0.963 . . . . 0.33000000000000002 109.254 -179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.44 -36.76 45.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 3.02 109.599 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.13 -49.97 75.53 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.942 . . . . 1.75 109.752 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 55.5 mt -60.99 -34.33 74.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 108.919 179.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.16 -55.16 38.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.427 -0.795 . . . . 1.21 109.519 179.644 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.09 -28.2 69.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 1.6899999999999999 109.821 -179.716 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.47 65.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 1.0600000000000001 110.053 -179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.13 -41.14 96.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.84 . . . . 1.0800000000000001 109.676 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.4 -37.01 76.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.898 . . . . 1.9299999999999999 109.554 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 351' ' ' LYS . 4.8 tp -64.31 -45.08 89.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.429 -0.794 . . . . 1.1399999999999999 109.78 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.72 -38.9 89.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.333 -0.854 . . . . 2.1899999999999999 109.178 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.08 -34.49 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.461 -0.775 . . . . 1.4299999999999999 109.572 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -47.69 70.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.533 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.22 1.91 30.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 1.3999999999999999 109.795 -179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 -81.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 1.5700000000000001 109.248 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 39.35 3.01 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.675 -1.37 . . . . 1.53 109.675 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -87.37 111.07 20.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -1.152 . . . . 4.5800000000000001 109.427 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.19 138.89 19.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 5.6799999999999997 109.532 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.44 -160.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.048 1.832 . . . . 6.0499999999999998 110.221 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.987 -1.452 . . . . 7.2000000000000002 109.552 179.933 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.8 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.502 -0.555 . . . . 9.2200000000000006 109.502 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.74 28.82 17.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 8.5099999999999998 109.34 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 59.44 71.6 0.91 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.217 -0.927 . . . . 7.4199999999999999 109.33 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.95 126.01 18.55 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.134 1.889 . . . . 5.0499999999999998 110.489 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.96 44.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.272 -0.893 . . . . 5.1399999999999997 109.698 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.13 -145.72 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.409 -0.807 . . . . 2.8500000000000001 109.47 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.25 160.48 48.93 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.495 -1.442 . . . . 1.27 109.495 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.46 143.72 44.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -1.132 . . . . 2.1099999999999999 109.557 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 13.4 m-85 -93.61 155.39 17.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.282 -0.887 . . . . 1.01 109.34 179.897 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.3 m-85 -139.23 -170.04 2.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.159 -0.963 . . . . 0.57999999999999996 109.632 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.8 p -153.56 160.69 42.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 109.586 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -149.12 133.16 17.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 1.1699999999999999 109.448 -179.748 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -86.01 130.92 34.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.8100000000000001 109.624 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 58.2 mt -123.9 120.34 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 1.1299999999999999 109.533 179.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.92 40.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.176 -0.953 . . . . 2.8199999999999998 109.589 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 136.99 3.84 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.857 -1.297 . . . . 0.45000000000000001 109.857 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.0 ttp180 -83.0 -51.98 7.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -1.118 . . . . 3.0800000000000001 109.49 179.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.0 -46.78 84.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 2.54 109.324 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.74 -40.13 91.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.327 -0.858 . . . . 4.1100000000000003 109.338 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 55.9 t80 -55.37 -54.88 38.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.406 -0.808 . . . . 0.56999999999999995 109.746 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -35.98 30.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.298 -0.876 . . . . 1.6599999999999999 109.992 -179.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.64 -47.82 82.03 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.14 -0.975 . . . . 1.29 109.982 -179.618 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.38 -51.17 69.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.40000000000000002 109.301 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.5 -36.73 45.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 3.8500000000000001 109.696 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 1.78 109.734 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.413 HD21 HD21 ' D' ' 344' ' ' LEU . 55.4 mt -60.96 -34.39 74.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 1.1699999999999999 108.846 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.19 -55.08 39.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.432 -0.793 . . . . 1.2 109.521 179.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.13 -28.22 69.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 2.1200000000000001 109.828 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.41 65.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 110.095 -179.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.06 -41.33 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 1.1399999999999999 109.645 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.27 -37.06 76.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 2.0899999999999999 109.53 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.28 -45.03 89.83 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.343 -0.848 . . . . 1.3799999999999999 109.769 -179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.78 -38.85 89.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 2.6800000000000002 109.166 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.1 -34.39 65.97 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.463 -0.773 . . . . 1.3400000000000001 109.622 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -47.76 69.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.308 -0.87 . . . . 1.3 109.56 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.23 2.01 29.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 1.8 109.706 -179.819 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.13 -81.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 1.47 109.23 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.69 39.4 3.02 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.676 -1.37 . . . . 1.6599999999999999 109.676 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -87.45 111.07 20.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.169 -1.195 . . . . 4.7800000000000002 109.362 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.19 138.92 19.45 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.201 -0.937 . . . . 6.1900000000000004 109.5 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.45 -161.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.12 1.88 . . . . 6.1799999999999997 110.187 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.029 -1.428 . . . . 6.9000000000000004 109.611 179.989 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.5 mttt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.287 0.565 . . . . 7.6900000000000004 109.522 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.72 28.79 17.76 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 7.4500000000000002 109.392 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 59.57 71.46 0.92 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 6.8399999999999999 109.312 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.9 125.9 18.3 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.197 1.931 . . . . 5.1200000000000001 110.535 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.4 mt -84.9 44.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.255 -0.903 . . . . 4.6600000000000001 109.678 179.836 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.12 -145.66 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.376 -0.827 . . . . 2.46 109.505 -179.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.28 160.41 49.04 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.457 -1.457 . . . . 1.0800000000000001 109.457 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.36 143.67 44.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -1.166 . . . . 1.6699999999999999 109.581 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 13.2 m-85 -93.69 155.44 17.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 1.01 109.3 179.858 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 67.0 m-85 -139.29 -170.12 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.018 . . . . 0.63 109.554 -179.747 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.6 p -153.42 160.78 42.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.1299999999999999 109.618 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.5 tp -149.22 133.17 17.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 1.1000000000000001 109.393 -179.816 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.96 130.98 34.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.311 -0.868 . . . . 1.3700000000000001 109.666 -179.798 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.99 120.46 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.925 . . . . 1.1499999999999999 109.472 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' B' ' 324' ' ' ASP . 1.9 ttp180 -73.62 152.91 40.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.215 -0.928 . . . . 2.77 109.601 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.17 137.0 3.87 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.819 -1.312 . . . . 0.42999999999999999 109.819 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 18.1 ttp180 -83.01 -52.16 6.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.345 -1.091 . . . . 3.1200000000000001 109.315 179.871 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.89 -46.98 84.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 2.2200000000000002 109.313 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.51 -40.1 90.18 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.409 -0.807 . . . . 3.5 109.462 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.0 t80 -55.33 -54.97 36.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.5 109.731 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -36.06 30.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 1.6899999999999999 109.91 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.56 -48.03 81.26 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.193 -0.942 . . . . 1.1399999999999999 109.816 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.23 -51.28 69.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.32000000000000001 109.31 -179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.44 -36.66 44.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 2.96 109.736 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.12 -50.1 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 1.75 109.729 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.413 HD21 HD21 ' C' ' 344' ' ' LEU . 55.4 mt -60.89 -34.34 74.5 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.205 -0.935 . . . . 1.0800000000000001 108.905 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.22 -55.18 38.15 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.382 -0.824 . . . . 1.22 109.51 179.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.95 -28.3 69.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.482 -0.761 . . . . 1.73 109.909 -179.795 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.84 -52.49 65.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.103 -0.998 . . . . 1.0700000000000001 110.068 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.08 -41.22 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 1.1100000000000001 109.706 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -37.03 76.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.9099999999999999 109.454 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.33 -45.13 89.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.21 -0.932 . . . . 1.1699999999999999 109.657 -179.785 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.66 -38.98 89.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 2.1499999999999999 109.223 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.04 -34.51 65.96 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.414 -0.804 . . . . 1.4399999999999999 109.545 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.77 70.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 1.3 109.607 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.28 2.01 29.93 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 1.3999999999999999 109.67 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.05 -81.31 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.21 -0.931 . . . . 1.6000000000000001 109.302 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.61 39.41 3.01 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.699 -1.36 . . . . 1.5 109.699 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -87.4 111.1 20.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.099 -1.236 . . . . 4.5499999999999998 109.347 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.24 138.79 19.88 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 5.6699999999999999 109.53 -179.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.3 -160.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.12 1.88 . . . . 6.1200000000000001 110.135 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.028 -1.429 . . . . 7.2699999999999996 109.57 179.883 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 320' ' ' LYS . 3.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.478 -0.564 . . . . 7.6600000000000001 109.478 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER 59.72 21.19 9.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 7.5099999999999998 109.773 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.69 106.01 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 6.8099999999999996 109.177 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.28 -160.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.05 1.833 . . . . 5.1500000000000004 110.404 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 50.5 mt -80.11 148.03 31.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.341 -0.849 . . . . 4.7000000000000002 109.543 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.36 -150.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 2.48 109.425 179.938 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.06 171.68 35.06 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.49 -1.444 . . . . 1.0800000000000001 109.49 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.13 141.0 51.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -1.104 . . . . 1.7 109.423 -179.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -93.11 156.93 16.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 1.04 109.582 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.2 m-85 -138.89 -169.08 2.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.65000000000000002 109.574 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.31 158.24 41.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 1.1399999999999999 109.368 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.9 tp -148.67 134.83 19.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 1.0900000000000001 109.51 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -86.66 129.47 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.348 -0.845 . . . . 1.3700000000000001 109.514 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.409 HG23 ' HA ' ' A' ' 338' ' ' PHE . 34.5 mt -123.97 115.32 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 1.1499999999999999 109.611 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 149.25 41.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 2.79 109.468 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.13 137.76 6.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.734 -1.346 . . . . 0.45000000000000001 109.734 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 10.7 ttm180 -83.91 -51.54 7.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -1.198 . . . . 3.1600000000000001 109.475 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.63 -46.24 87.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 2.2200000000000002 109.654 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.51 -42.21 95.94 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.331 -0.855 . . . . 3.54 109.529 -179.718 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.409 ' HA ' HG23 ' A' ' 332' ' ' ILE . 76.2 t80 -55.56 -52.82 62.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.5 109.773 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.19 -37.06 44.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.174 -179.537 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.83 -48.2 80.1 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.127 -0.983 . . . . 1.1499999999999999 110.026 -179.289 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.93 -49.0 79.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.34000000000000002 109.345 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.49 -40.84 60.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 2.9399999999999999 109.7 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 1.74 109.87 -179.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -62.77 -46.31 88.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.577 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -57.97 -46.94 84.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.339 -0.85 . . . . 1.22 109.648 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -34.37 76.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.72 109.827 -179.619 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -53.43 57.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.856 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.01 -40.33 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 109.513 -179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.11 -35.98 76.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -0.851 . . . . 1.9099999999999999 109.474 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.36 -44.01 92.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 1.1499999999999999 109.279 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.41 -43.32 99.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 2.1400000000000001 108.863 179.734 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.15 -30.24 64.27 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 1.4299999999999999 109.388 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -65.28 -46.09 81.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.388 -0.82 . . . . 1.3 109.278 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -80.98 -3.06 50.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.4199999999999999 109.396 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.95 -76.69 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.5800000000000001 109.753 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.08 -0.91 30.69 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.361 -1.096 . . . . 1.54 110.361 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 6.8 mtmt -84.92 -87.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.361 . . . . 4.5499999999999998 109.271 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.1 121.78 21.14 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 5.71 109.35 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -59.89 130.84 36.56 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.925 1.75 . . . . 6.0899999999999999 110.404 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.989 -1.45 . . . . 7.2400000000000002 109.493 179.843 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 320' ' ' LYS . 3.6 mttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.411 -0.589 . . . . 7.6699999999999999 109.411 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 59.76 21.11 9.89 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.46 -0.775 . . . . 7.46 109.671 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.81 106.01 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 6.79 109.159 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.12 -161.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.062 1.841 . . . . 5.1500000000000004 110.468 -179.761 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.11 148.08 31.13 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 4.6600000000000001 109.515 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.47 -151.23 0.06 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.294 -0.879 . . . . 2.4700000000000002 109.321 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.43 171.74 32.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.545 -1.422 . . . . 1.0600000000000001 109.545 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.24 141.06 51.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -1.126 . . . . 1.6100000000000001 109.387 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.24 156.98 16.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.908 . . . . 0.96999999999999997 109.552 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.9 m-85 -138.95 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.59999999999999998 109.475 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.3 p -153.32 158.25 41.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 1.1000000000000001 109.401 -179.838 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.61 134.81 19.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 1.1000000000000001 109.571 -179.662 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.73 129.34 34.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 1.3600000000000001 109.476 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.418 HG23 ' HA ' ' B' ' 338' ' ' PHE . 34.4 mt -123.87 115.49 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 1.1699999999999999 109.672 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 149.36 41.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 2.79 109.468 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.03 137.83 6.89 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.78 -1.328 . . . . 0.47999999999999998 109.78 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 10.7 ttm180 -83.95 -51.39 7.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -1.148 . . . . 3.2200000000000002 109.516 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.86 -46.11 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.21 109.575 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.57 -42.12 95.99 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.253 -0.904 . . . . 3.5499999999999998 109.564 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.418 ' HA ' HG23 ' B' ' 332' ' ' ILE . 76.5 t80 -55.55 -52.94 62.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.52000000000000002 109.758 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.15 -37.09 44.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.6799999999999999 110.166 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.81 -48.09 80.6 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.153 -0.967 . . . . 1.1499999999999999 110.122 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -49.09 78.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.33000000000000002 109.313 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.37 -40.98 60.3 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.312 -0.868 . . . . 3.02 109.667 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.41 -41.34 97.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.149 -0.969 . . . . 1.75 109.855 -179.756 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.74 -46.42 88.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 1.0700000000000001 109.566 -179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -57.99 -46.74 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.385 -0.822 . . . . 1.21 109.77 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -34.31 76.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.803 -179.652 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.71 -53.42 57.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 1.0600000000000001 109.837 -179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.04 -40.35 93.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 1.0800000000000001 109.571 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.06 -36.0 76.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.9299999999999999 109.48 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.403 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.8 tt -64.27 -44.12 92.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.295 -0.878 . . . . 1.1399999999999999 109.266 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.32 99.06 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.41 -0.806 . . . . 2.1899999999999999 108.97 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.23 -30.15 64.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.381 179.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -65.39 -45.97 81.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.42 -0.8 . . . . 1.3100000000000001 109.344 -179.857 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.02 -2.91 49.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 1.3999999999999999 109.476 179.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.12 -76.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 1.5700000000000001 109.759 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.06 -1.06 31.4 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.37 -1.092 . . . . 1.53 110.37 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 6.8 mtmt -84.73 -87.1 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.289 . . . . 4.5800000000000001 109.317 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -52.17 121.86 21.79 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.154 -0.966 . . . . 5.6799999999999997 109.287 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -60.1 130.83 36.06 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.947 1.765 . . . . 6.0499999999999998 110.371 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.929 -1.484 . . . . 7.2000000000000002 109.541 179.978 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' C' ' 320' ' ' LYS . 3.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.548 -0.538 . . . . 9.2200000000000006 109.548 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 59.84 21.15 10.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -0.8 . . . . 8.5099999999999998 109.633 179.901 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.78 105.88 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 7.4199999999999999 109.256 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.17 -160.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 121.969 1.779 . . . . 5.0499999999999998 110.452 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.12 148.11 31.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.225 -0.922 . . . . 5.1399999999999997 109.463 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.38 -151.17 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.881 . . . . 2.8500000000000001 109.355 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.67 171.75 33.48 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.591 -1.403 . . . . 1.27 109.591 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.23 141.07 51.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -1.096 . . . . 2.1099999999999999 109.385 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.28 156.91 16.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.109 -0.994 . . . . 1.01 109.507 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.0 m-85 -138.84 -169.18 2.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 0.57999999999999996 109.444 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -153.2 158.4 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 1.1599999999999999 109.399 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.8 134.84 19.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 1.1699999999999999 109.573 -179.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.4 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.356 -0.84 . . . . 1.8100000000000001 109.454 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 34.7 mt -123.95 115.45 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.184 -0.948 . . . . 1.1299999999999999 109.576 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 149.27 41.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 2.8199999999999998 109.497 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.08 137.8 6.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.755 -1.338 . . . . 0.45000000000000001 109.755 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 10.7 ttm180 -83.94 -51.44 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -1.119 . . . . 3.0800000000000001 109.489 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.8 -46.21 88.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.865 . . . . 2.54 109.591 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.46 -42.17 95.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.284 -0.885 . . . . 4.1100000000000003 109.632 -179.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -55.56 -52.9 62.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.372 -0.83 . . . . 0.56999999999999995 109.765 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.08 -37.18 44.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.88 . . . . 1.6599999999999999 110.123 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.91 -48.01 80.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.098 -1.001 . . . . 1.29 110.118 -179.198 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.04 -48.87 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.115 -0.99 . . . . 0.40000000000000002 109.412 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.43 -40.89 60.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 3.8500000000000001 109.645 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.53 -41.29 97.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.186 -0.946 . . . . 1.78 109.841 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.73 -46.34 88.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 1.1699999999999999 109.562 -179.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -58.03 -46.86 84.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 1.2 109.762 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -34.57 76.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 2.1200000000000001 109.885 -179.739 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.5 -53.5 56.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.301 -0.874 . . . . 1.0700000000000001 109.916 -179.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.03 -40.37 93.32 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.306 -0.871 . . . . 1.1399999999999999 109.543 -179.676 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.04 -36.05 76.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 2.0899999999999999 109.412 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.4 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.8 tt -64.31 -44.02 92.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.358 -0.839 . . . . 1.3799999999999999 109.358 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.35 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.399 -0.813 . . . . 2.6800000000000002 108.951 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.08 -30.36 64.25 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.624 -0.673 . . . . 1.3400000000000001 109.388 179.462 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -65.22 -45.99 82.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.483 -0.761 . . . . 1.3 109.432 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.16 -2.87 50.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.23 -0.919 . . . . 1.8 109.369 179.672 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.99 -76.7 0.1 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 1.47 109.744 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.02 -1.04 30.96 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.363 -1.095 . . . . 1.6599999999999999 110.363 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 6.8 mtmt -84.79 -87.26 0.12 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.977 -1.307 . . . . 4.7800000000000002 109.209 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -51.96 121.84 20.72 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 6.1900000000000004 109.334 179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -60.08 130.81 36.03 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.955 1.77 . . . . 6.1799999999999997 110.348 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.927 -1.485 . . . . 6.9000000000000004 109.534 179.914 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' D' ' 320' ' ' LYS . 3.6 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.567 -0.531 . . . . 7.6900000000000004 109.567 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 59.88 21.06 10.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.414 -0.804 . . . . 7.4500000000000002 109.761 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.82 105.96 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 6.8399999999999999 109.229 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.19 -160.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.003 1.802 . . . . 5.1200000000000001 110.595 -179.725 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 51.4 mt -80.19 148.12 31.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 4.6600000000000001 109.496 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.46 -151.15 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 2.46 109.28 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 171.7 33.35 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.592 -1.403 . . . . 1.0800000000000001 109.592 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -58.17 140.94 51.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -1.109 . . . . 1.6699999999999999 109.414 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -93.07 157.05 16.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.01 109.536 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.0 m-85 -138.89 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.63 109.58 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.26 158.32 41.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 1.1299999999999999 109.464 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.71 134.82 19.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 1.1000000000000001 109.557 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.67 129.31 34.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.452 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.407 HG23 ' HA ' ' D' ' 338' ' ' PHE . 34.8 mt -123.92 115.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 1.1499999999999999 109.634 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 149.25 41.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 2.77 109.509 179.784 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.16 137.79 6.95 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.717 -1.353 . . . . 0.42999999999999999 109.717 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 10.7 ttm180 -83.92 -51.51 7.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 3.1200000000000001 109.418 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.87 -46.05 88.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 2.2200000000000002 109.502 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.6 -42.17 96.25 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.233 -0.917 . . . . 3.5 109.515 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.407 ' HA ' HG23 ' D' ' 332' ' ' ILE . 76.7 t80 -55.57 -52.8 62.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.449 -0.782 . . . . 0.5 109.799 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.13 -37.22 44.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 110.096 -179.509 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.79 -48.11 80.53 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.133 -0.98 . . . . 1.1399999999999999 110.062 -179.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.13 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.32000000000000001 109.276 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -51.54 -40.88 60.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.312 -0.868 . . . . 2.96 109.582 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -41.27 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 1.75 109.807 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.68 -46.48 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.135 -0.978 . . . . 1.0800000000000001 109.552 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.03 -46.81 84.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.851 . . . . 1.22 109.705 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -34.33 76.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.73 109.941 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -53.34 58.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.875 -179.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.16 -40.28 93.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.866 . . . . 1.1100000000000001 109.473 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.09 -36.03 76.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.87 . . . . 1.9099999999999999 109.36 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.32 -44.02 92.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 1.1699999999999999 109.296 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.38 98.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.346 -0.846 . . . . 2.1499999999999999 108.942 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.07 -30.31 64.18 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.577 -0.702 . . . . 1.4399999999999999 109.42 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -65.32 -45.94 82.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.379 -0.825 . . . . 1.3 109.371 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.14 -2.93 50.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.3999999999999999 109.384 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.0 -76.67 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.377 -0.827 . . . . 1.6000000000000001 109.707 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 -0.96 30.96 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.348 -1.101 . . . . 1.5 110.348 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 6.8 mtmt -84.83 -87.26 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.9 -1.353 . . . . 4.5499999999999998 109.197 179.833 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -52.09 121.91 21.55 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.155 -0.966 . . . . 5.6699999999999999 109.317 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.1 130.86 36.18 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.89 1.727 . . . . 6.1200000000000001 110.4 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.873 -1.515 . . . . 7.2699999999999996 109.579 179.97 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.309 0.576 . . . . 7.6600000000000001 109.487 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.29 172.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 7.5099999999999998 109.552 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.7 OUTLIER 59.62 63.94 3.14 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.231 -0.918 . . . . 6.8099999999999996 109.706 179.764 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.4 Cg_endo -61.73 122.6 11.25 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.051 1.834 . . . . 5.1500000000000004 109.894 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.69 94.23 6.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.124 -0.985 . . . . 4.7000000000000002 109.863 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 3.7 m-20 -82.75 -174.02 4.99 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.445 -0.785 . . . . 2.48 109.153 179.372 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.32 177.6 28.81 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.062 -1.615 . . . . 1.0800000000000001 109.062 179.465 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.9 135.09 56.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.071 -1.252 . . . . 1.7 109.165 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 44.7 m-85 -92.05 155.06 18.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.977 . . . . 1.04 109.657 -179.675 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.5 m-85 -139.62 -168.97 2.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.389 -0.819 . . . . 0.65000000000000002 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -152.87 160.16 43.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.138 -0.976 . . . . 1.1399999999999999 109.527 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.2 tp -148.92 133.13 17.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 1.0900000000000001 109.59 -179.816 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 16.1 tt0 -85.62 129.86 34.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.27 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.34 110.9 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 1.1499999999999999 109.593 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 145.15 46.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 2.79 109.383 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.33 8.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.61 -1.396 . . . . 0.45000000000000001 109.61 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CB ' ' CZ ' ' A' ' 335' ' ' ARG . 0.8 OUTLIER -78.27 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 3.1600000000000001 109.4 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.25 -40.14 81.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.2200000000000002 109.571 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.25 -44.88 96.53 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.365 -0.835 . . . . 3.54 109.674 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -54.87 -53.27 57.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 0.5 109.545 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -50.93 -34.27 27.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.793 -179.78 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.6 ttp -62.91 -49.01 76.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.118 -0.989 . . . . 1.1499999999999999 109.885 -179.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.09 -53.42 57.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.151 -0.968 . . . . 0.34000000000000002 109.234 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -51.01 -34.64 30.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.9399999999999999 109.55 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -50.28 74.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 1.74 109.528 -179.857 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 49.0 mt -60.99 -34.2 74.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 1.0700000000000001 108.855 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.735 . . . . 1.22 109.492 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.9 -31.3 72.33 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 1.72 109.872 -179.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.4 -56.71 17.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.318 -0.864 . . . . 1.0700000000000001 110.045 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.84 -41.64 96.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 1.0800000000000001 109.696 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.85 -35.2 74.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.233 -0.917 . . . . 1.9099999999999999 109.483 179.84 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.404 ' HG ' HD22 ' B' ' 350' ' ' LEU . 19.1 tp -65.9 -42.89 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 109.422 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 31.3 ttmt -61.16 -44.32 97.49 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.704 -0.85 . . . . 2.1400000000000001 108.704 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.42 -32.79 67.23 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.579 -0.7 . . . . 1.4299999999999999 109.457 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.54 75.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 1.3 109.56 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -11.48 58.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.229 -0.919 . . . . 1.4199999999999999 109.384 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.97 -4.54 32.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.241 -0.912 . . . . 1.5800000000000001 109.583 179.599 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 18.18 28.9 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.143 -1.183 . . . . 1.54 110.143 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -84.63 154.03 22.8 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.058 -1.26 . . . . 4.5499999999999998 109.363 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.3 161.06 0.49 Allowed Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.149 -0.969 . . . . 5.71 109.573 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.45 -159.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.227 1.951 . . . . 6.0899999999999999 110.244 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.043 -1.421 . . . . 7.2400000000000002 109.596 179.996 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.444 -0.576 . . . . 7.6699999999999999 109.444 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.27 172.25 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.926 . . . . 7.46 109.566 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.7 OUTLIER 59.6 64.0 3.13 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.878 . . . . 6.79 109.81 179.822 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.4 Cg_endo -61.8 122.63 11.28 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.075 1.85 . . . . 5.1500000000000004 109.85 179.812 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.71 94.37 6.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.953 . . . . 4.6600000000000001 109.811 -179.821 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.464 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 3.7 m-20 -82.97 -174.01 5.04 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.327 -0.858 . . . . 2.4700000000000002 109.05 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.31 177.82 28.36 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.046 -1.622 . . . . 1.0600000000000001 109.046 179.498 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.06 135.25 56.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.084 -1.245 . . . . 1.6100000000000001 109.166 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 43.8 m-85 -92.1 154.95 18.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.96999999999999997 109.671 -179.635 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.7 m-85 -139.63 -168.98 2.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.353 -0.842 . . . . 0.59999999999999998 109.348 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.4 p -152.8 160.25 43.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.169 -0.957 . . . . 1.1000000000000001 109.537 -179.856 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.0 133.17 17.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 1.1000000000000001 109.544 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.56 129.84 34.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.261 -0.9 . . . . 1.3600000000000001 109.311 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.48 110.83 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.169 -0.957 . . . . 1.1699999999999999 109.607 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 145.04 46.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.79 109.375 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.3 8.43 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.636 -1.386 . . . . 0.47999999999999998 109.636 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.579 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.8 OUTLIER -78.21 -61.56 1.96 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -1.078 . . . . 3.2200000000000002 109.48 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.22 -40.37 81.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 2.21 109.547 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.06 -44.89 96.7 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.249 -0.907 . . . . 3.5499999999999998 109.692 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' D' ' 329' ' ' THR . 48.9 t80 -54.84 -53.17 58.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.52000000000000002 109.687 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.96 -34.35 28.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 1.6799999999999999 109.777 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.6 ttp -62.83 -49.1 76.22 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.905 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -60.92 -53.51 56.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.33000000000000002 109.25 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.6 30.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 3.02 109.451 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -50.28 74.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 1.75 109.532 -179.895 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 48.9 mt -60.92 -34.34 74.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 1.0700000000000001 108.878 179.787 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.9 -53.28 60.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.458 -0.776 . . . . 1.21 109.479 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.0 -31.04 72.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 1.6899999999999999 109.87 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.71 -56.69 17.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.193 -0.942 . . . . 1.0600000000000001 109.928 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.8 -41.7 96.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 109.59 -179.62 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.84 -35.19 74.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.192 -0.943 . . . . 1.9299999999999999 109.426 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 19.2 tp -65.97 -42.89 89.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.378 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.1 -44.3 97.56 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.791 -0.818 . . . . 2.1899999999999999 108.791 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.51 -32.71 67.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.53 -0.731 . . . . 1.4299999999999999 109.406 179.569 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.38 75.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.369 -0.832 . . . . 1.3100000000000001 109.674 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -11.5 58.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.223 -0.923 . . . . 1.3999999999999999 109.335 179.877 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.03 -4.5 32.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 1.5700000000000001 109.518 179.703 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 18.29 28.96 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.101 -1.2 . . . . 1.53 110.101 -179.528 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -84.74 154.08 22.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.023 -1.28 . . . . 4.5800000000000001 109.332 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.28 161.09 0.48 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 5.6799999999999997 109.588 -179.817 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.55 -159.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.265 1.976 . . . . 6.0499999999999998 110.252 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.979 -1.456 . . . . 7.2000000000000002 109.476 179.947 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.475 -0.565 . . . . 9.2200000000000006 109.475 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.26 172.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 8.5099999999999998 109.441 179.895 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.7 OUTLIER 59.53 64.03 3.15 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 7.4199999999999999 109.769 179.804 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.4 Cg_endo -61.86 122.67 11.31 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.063 1.842 . . . . 5.0499999999999998 109.867 179.756 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.71 94.22 6.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.127 -0.983 . . . . 5.1399999999999997 109.848 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.472 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 3.6 m-20 -82.78 -174.0 4.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.353 -0.842 . . . . 2.8500000000000001 109.143 179.372 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.28 177.73 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.155 -1.578 . . . . 1.27 109.155 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.03 135.22 56.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.101 -1.234 . . . . 2.1099999999999999 109.047 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 44.4 m-85 -92.04 154.93 18.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.98 . . . . 1.01 109.666 -179.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 86.4 m-85 -139.64 -168.98 2.6 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.306 -0.871 . . . . 0.57999999999999996 109.401 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 40.6 p -152.84 160.05 43.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 1.1599999999999999 109.472 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.2 tp -148.73 133.21 17.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.592 -179.866 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 16.0 tt0 -85.63 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 1.8100000000000001 109.265 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.3 mt -123.36 110.92 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 1.1299999999999999 109.623 -179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 145.17 46.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 2.8199999999999998 109.305 179.813 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.43 134.33 8.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.632 -1.387 . . . . 0.45000000000000001 109.632 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.8 OUTLIER -78.19 -61.5 1.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -1.165 . . . . 3.0800000000000001 109.516 179.899 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.5 -40.13 81.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 2.54 109.439 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.2 -44.88 96.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 4.1100000000000003 109.614 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -54.86 -53.26 57.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.398 -0.814 . . . . 0.56999999999999995 109.582 -179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -50.94 -34.29 28.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.358 -0.839 . . . . 1.6599999999999999 109.746 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 10.5 ttp -62.89 -49.09 76.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.215 -0.928 . . . . 1.29 109.876 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.0 -53.43 57.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.89 . . . . 0.40000000000000002 109.274 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.62 30.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.351 -0.843 . . . . 3.8500000000000001 109.474 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -59.98 -50.23 74.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.78 109.616 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.99 -34.18 74.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.16 -0.963 . . . . 1.1699999999999999 108.937 179.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 1.2 109.521 179.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.94 -31.1 72.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.372 -0.83 . . . . 2.1200000000000001 109.812 -179.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.58 -56.88 15.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 1.0700000000000001 109.935 -179.712 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.69 -41.68 95.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 1.1399999999999999 109.696 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.82 -35.21 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -0.938 . . . . 2.0899999999999999 109.514 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 19.2 tp -65.93 -42.88 89.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.324 -0.86 . . . . 1.3799999999999999 109.41 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.14 -44.29 97.55 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.412 -0.805 . . . . 2.6800000000000002 108.835 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.36 -32.88 67.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.612 -0.68 . . . . 1.3400000000000001 109.48 179.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.47 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 1.3 109.647 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -11.47 58.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.175 -0.953 . . . . 1.8 109.252 179.924 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.06 -4.52 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 1.47 109.531 179.699 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 18.31 28.88 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.072 -1.211 . . . . 1.6599999999999999 110.072 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -84.71 154.09 22.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.08 -1.247 . . . . 4.7800000000000002 109.348 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.33 161.15 0.48 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.957 . . . . 6.1900000000000004 109.547 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.57 -159.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.266 1.977 . . . . 6.1799999999999997 110.235 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 117.943 -1.476 . . . . 6.9000000000000004 109.599 179.993 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.489 -0.56 . . . . 7.6900000000000004 109.489 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.29 172.26 0.06 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 7.4500000000000002 109.554 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.7 OUTLIER 59.64 63.96 3.12 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 6.8399999999999999 109.699 179.739 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.4 Cg_endo -61.76 122.59 11.22 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.087 1.858 . . . . 5.1200000000000001 109.966 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.0 mt -81.68 94.29 6.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 4.6600000000000001 109.862 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.464 ' HB2' ' CZ ' ' D' ' 327' ' ' TYR . 3.7 m-20 -82.89 -173.93 4.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 2.46 109.049 179.478 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.25 177.73 28.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.14 -1.584 . . . . 1.0800000000000001 109.14 179.402 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.93 135.24 56.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.239 . . . . 1.6699999999999999 109.098 179.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' D' ' 324' ' ' ASP . 45.0 m-85 -92.19 154.97 18.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 1.01 109.659 -179.671 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.8 m-85 -139.58 -168.98 2.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.63 109.322 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.423 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.5 p -152.88 160.17 43.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 1.1299999999999999 109.507 -179.87 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.96 133.12 17.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.395 -0.816 . . . . 1.1000000000000001 109.54 -179.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.54 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 1.3700000000000001 109.192 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.43 110.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 109.561 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 144.99 46.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.354 -0.841 . . . . 2.77 109.392 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.49 134.37 8.45 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.574 -1.41 . . . . 0.42999999999999999 109.574 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.573 ' CB ' ' CZ ' ' D' ' 335' ' ' ARG . 0.8 OUTLIER -78.24 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -1.111 . . . . 3.1200000000000001 109.474 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -58.29 -40.44 81.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.367 -0.833 . . . . 2.2200000000000002 109.468 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.0 -44.81 96.87 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.288 -0.882 . . . . 3.5 109.638 -179.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' B' ' 329' ' ' THR . 48.6 t80 -54.92 -53.26 57.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.5 109.578 -179.826 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.87 -34.4 27.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 1.6899999999999999 109.742 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -62.86 -48.91 77.0 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.251 -0.906 . . . . 1.1399999999999999 109.941 -179.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.13 -53.46 56.72 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.889 . . . . 0.32000000000000001 109.212 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.02 -34.53 29.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 2.96 109.532 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -50.32 74.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.75 109.517 -179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 49.6 mt -60.75 -34.37 74.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 1.0800000000000001 108.894 179.737 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.07 -53.18 61.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.375 -0.828 . . . . 1.22 109.469 179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.89 -31.26 72.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 1.73 109.76 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.55 -56.79 16.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.109 -0.995 . . . . 1.0700000000000001 109.955 -179.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.67 -41.76 95.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.422 -0.799 . . . . 1.1100000000000001 109.676 -179.68 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.75 -35.27 74.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -0.927 . . . . 1.9099999999999999 109.467 179.873 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.95 -42.89 89.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.372 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.438 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 31.4 ttmt -61.15 -44.28 97.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.756 -0.831 . . . . 2.1499999999999999 108.756 179.816 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.44 -32.78 67.26 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.621 -0.674 . . . . 1.4399999999999999 109.456 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.6 76.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 1.3 109.606 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -11.53 58.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 1.3999999999999999 109.338 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -4.59 33.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.328 -0.857 . . . . 1.6000000000000001 109.552 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 18.09 29.15 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.139 -1.185 . . . . 1.5 110.139 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -84.65 154.03 22.79 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.083 -1.246 . . . . 4.5499999999999998 109.348 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.28 161.11 0.48 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 5.6699999999999999 109.595 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.53 -159.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.246 1.964 . . . . 6.1200000000000001 110.255 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 117.924 -1.487 . . . . 7.2699999999999996 109.627 179.984 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.488 -0.56 . . . . 7.6600000000000001 109.488 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 18.5 tttt 62.84 83.75 0.15 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 7.5099999999999998 109.546 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 61.84 153.3 0.11 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.301 -0.875 . . . . 6.8099999999999996 109.615 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.73 -162.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.171 1.914 . . . . 5.1500000000000004 110.081 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.8 118.72 22.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 4.7000000000000002 109.468 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -79.92 -154.74 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.269 -0.895 . . . . 2.48 109.394 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.49 169.8 36.43 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.393 -1.483 . . . . 1.0800000000000001 109.393 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.12 138.11 56.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.1 -1.235 . . . . 1.7 109.497 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -93.26 155.81 17.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 1.04 109.336 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.8 m-85 -138.58 -169.68 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.65000000000000002 109.631 -179.839 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.3 p -154.16 156.98 38.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 1.1399999999999999 109.377 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -146.94 129.37 15.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 1.0900000000000001 109.437 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 15.2 tt0 -86.41 135.36 33.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.83 . . . . 1.3700000000000001 110.082 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 341' ' ' PHE . 46.7 mt -123.56 119.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.393 -0.817 . . . . 1.1499999999999999 109.263 179.526 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 146.49 45.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.211 -0.931 . . . . 2.79 109.731 -179.687 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 142.95 9.82 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.903 -1.279 . . . . 0.45000000000000001 109.903 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.496 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.1 ttm180 -79.65 -51.18 9.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -1.054 . . . . 3.1600000000000001 109.285 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.29 -41.03 83.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 2.2200000000000002 109.334 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.466 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -45.19 85.91 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.259 -0.901 . . . . 3.54 109.678 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' C' ' 329' ' ' THR . 47.0 t80 -55.87 -55.01 37.59 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.405 -0.809 . . . . 0.5 109.63 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.45 -38.13 41.84 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.252 -0.905 . . . . 1.6599999999999999 110.103 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -63.88 -51.22 65.55 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.101 -0.999 . . . . 1.1499999999999999 110.519 -179.276 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' A' ' 332' ' ' ILE . 33.1 m-85 -60.93 -55.32 34.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.06 -1.025 . . . . 0.34000000000000002 109.467 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.46 -34.48 16.92 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.413 -0.805 . . . . 2.9399999999999999 109.61 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.55 -49.9 75.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.103 -0.998 . . . . 1.74 109.375 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.87 -34.53 76.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.299 -0.875 . . . . 1.0700000000000001 108.929 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -58.93 -52.84 64.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.321 -0.862 . . . . 1.22 109.423 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -31.38 72.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.875 . . . . 1.72 109.813 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -58.77 7.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 1.0700000000000001 109.964 -179.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.42 -40.06 89.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 1.0800000000000001 109.501 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.16 -34.62 72.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.344 -0.847 . . . . 1.9099999999999999 109.051 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.38 -39.87 92.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.406 -0.809 . . . . 1.1499999999999999 108.963 179.789 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -46.41 89.21 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.926 -0.768 . . . . 2.1400000000000001 108.926 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.06 -31.01 62.8 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.54 -0.725 . . . . 1.4299999999999999 109.445 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.37 91.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 1.3 109.635 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -12.26 57.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.4199999999999999 109.583 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.07 -11.45 60.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.216 -0.927 . . . . 1.5800000000000001 109.474 179.788 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -81.05 1.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.482 -1.447 . . . . 1.54 109.482 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -86.95 124.33 33.03 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.231 -1.158 . . . . 4.5499999999999998 109.361 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.78 156.07 1.75 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.935 . . . . 5.71 109.514 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.71 126.15 19.05 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.112 1.875 . . . . 6.0899999999999999 110.268 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.469 -1.452 . . . . 7.2400000000000002 109.469 179.964 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.511 -0.552 . . . . 7.6699999999999999 109.511 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 18.5 tttt 62.82 83.72 0.15 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.293 -0.88 . . . . 7.46 109.579 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 23.3 mttt 61.98 153.27 0.11 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 6.79 109.541 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.67 -162.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.181 1.921 . . . . 5.1500000000000004 110.112 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.77 118.75 22.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.147 -0.971 . . . . 4.6600000000000001 109.383 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.95 -154.96 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.239 -0.913 . . . . 2.4700000000000002 109.394 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.11 169.86 34.91 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.447 -1.461 . . . . 1.0600000000000001 109.447 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.25 138.11 56.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.188 -1.183 . . . . 1.6100000000000001 109.457 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -93.23 155.77 17.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.341 -0.849 . . . . 0.96999999999999997 109.312 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 91.4 m-85 -138.5 -169.65 2.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.59999999999999998 109.67 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -154.09 156.97 38.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -0.935 . . . . 1.1000000000000001 109.49 -179.87 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.96 129.47 15.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 1.1000000000000001 109.338 -179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 15.0 tt0 -86.51 135.42 33.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 1.3600000000000001 109.963 -179.568 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.465 HG22 ' CD2' ' B' ' 341' ' ' PHE . 47.0 mt -123.72 119.57 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.847 . . . . 1.1699999999999999 109.099 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 146.39 46.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.126 -0.984 . . . . 2.79 109.732 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.79 143.0 9.77 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.884 -1.286 . . . . 0.47999999999999998 109.884 179.703 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.1 ttm180 -79.69 -51.09 9.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.374 -1.074 . . . . 3.2200000000000002 109.286 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.32 -41.06 83.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -0.806 . . . . 2.21 109.311 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.65 -45.1 85.95 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.233 -0.917 . . . . 3.5499999999999998 109.78 179.936 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' D' ' 329' ' ' THR . 47.2 t80 -55.8 -55.01 37.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.52000000000000002 109.74 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -50.42 -38.22 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.6799999999999999 110.055 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.84 -51.29 65.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.521 -179.321 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CD2' HG22 ' B' ' 332' ' ' ILE . 32.9 m-85 -60.89 -55.43 33.1 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.148 -0.97 . . . . 0.33000000000000002 109.408 -179.579 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.45 -34.46 16.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 3.02 109.535 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.44 -49.92 75.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.986 . . . . 1.75 109.484 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.97 -34.41 76.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 108.874 179.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -59.05 -52.74 64.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.821 . . . . 1.21 109.511 179.674 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -31.45 72.63 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.6899999999999999 109.758 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.94 -58.75 7.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.28 -0.887 . . . . 1.0600000000000001 109.99 -179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.44 -40.17 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 1.0800000000000001 109.396 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.05 -34.67 72.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.382 -0.824 . . . . 1.9299999999999999 109.096 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.32 -39.88 93.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.348 -0.845 . . . . 1.1399999999999999 109.01 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -46.49 88.97 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.969 -0.752 . . . . 2.1899999999999999 108.969 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.08 -30.86 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.513 -0.742 . . . . 1.4299999999999999 109.512 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.26 90.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 1.3100000000000001 109.597 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -12.48 57.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 1.3999999999999999 109.583 179.892 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.04 -11.46 60.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 1.5700000000000001 109.472 179.925 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 -81.08 1.1 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.485 -1.446 . . . . 1.53 109.485 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.88 124.29 32.94 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.299 -1.118 . . . . 4.5800000000000001 109.409 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.81 156.14 1.74 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 5.6799999999999997 109.553 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.82 125.96 18.51 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.236 1.957 . . . . 6.0499999999999998 110.262 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.968 -1.462 . . . . 7.2000000000000002 109.533 -179.984 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.508 -0.553 . . . . 9.2200000000000006 109.508 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 18.4 tttt 62.91 83.56 0.16 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 8.5099999999999998 109.575 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 62.0 153.2 0.11 Allowed Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 7.4199999999999999 109.629 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.68 -162.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.149 1.899 . . . . 5.0499999999999998 110.035 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 74.0 mt -80.79 118.76 22.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.151 -0.968 . . . . 5.1399999999999997 109.45 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.99 -154.78 0.1 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.201 -0.937 . . . . 2.8500000000000001 109.33 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.32 169.83 35.75 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.381 -1.488 . . . . 1.27 109.381 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.24 138.0 56.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 2.1099999999999999 109.499 -179.875 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.12 155.76 17.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.234 -0.916 . . . . 1.01 109.413 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.496 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -138.49 -169.61 2.64 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.57999999999999996 109.636 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.559 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.5 p -154.22 156.96 38.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.249 -0.907 . . . . 1.1599999999999999 109.441 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.2 tp -146.98 129.4 15.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 1.1699999999999999 109.305 -179.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 15.0 tt0 -86.49 135.39 33.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 1.8100000000000001 110.014 -179.537 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' C' ' 341' ' ' PHE . 46.7 mt -123.63 119.57 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.431 -0.793 . . . . 1.1299999999999999 109.197 179.584 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.47 45.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 2.8199999999999998 109.7 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.77 142.92 9.7 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.809 -1.316 . . . . 0.45000000000000001 109.809 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.2 ttm180 -79.58 -51.12 9.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -1.068 . . . . 3.0800000000000001 109.377 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.28 -41.01 83.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.352 -0.843 . . . . 2.54 109.36 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.479 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -45.15 86.01 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.326 -0.859 . . . . 4.1100000000000003 109.72 179.906 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 329' ' ' THR . 47.4 t80 -55.87 -55.09 36.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.56999999999999995 109.618 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.34 -38.21 40.83 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.166 -0.959 . . . . 1.6599999999999999 110.105 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.85 -51.23 65.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.109 -0.994 . . . . 1.29 110.57 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.473 ' CD2' HG22 ' C' ' 332' ' ' ILE . 33.5 m-85 -60.77 -55.5 32.44 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.141 -0.974 . . . . 0.40000000000000002 109.468 -179.656 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.41 -34.46 16.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.452 -0.78 . . . . 3.8500000000000001 109.552 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.66 -49.77 76.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.129 -0.982 . . . . 1.78 109.446 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.96 -34.41 76.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 1.1699999999999999 108.949 179.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.01 -52.82 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.332 -0.855 . . . . 1.2 109.424 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -31.38 72.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.406 -0.809 . . . . 2.1200000000000001 109.791 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -58.61 7.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.94 . . . . 1.0700000000000001 109.925 -179.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.51 -40.22 90.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 1.1399999999999999 109.368 -179.743 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.09 -34.68 72.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.261 -0.9 . . . . 2.0899999999999999 109.06 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.21 -39.96 93.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.3799999999999999 109.055 179.655 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.4 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 0.8 OUTLIER -62.01 -46.56 88.68 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.941 -0.762 . . . . 2.6800000000000002 108.941 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.95 -31.02 62.57 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.421 -0.8 . . . . 1.3400000000000001 109.552 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.36 91.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.379 -0.826 . . . . 1.3 109.601 -179.802 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -12.39 57.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -0.922 . . . . 1.8 109.432 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.1 -11.4 60.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 1.47 109.459 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -81.08 1.11 Allowed Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.459 -1.456 . . . . 1.6599999999999999 109.459 179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.97 124.31 33.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -1.106 . . . . 4.7800000000000002 109.41 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.74 156.09 1.73 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 6.1900000000000004 109.509 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.75 126.15 19.02 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.143 1.896 . . . . 6.1799999999999997 110.185 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.528 -1.429 . . . . 6.9000000000000004 109.528 179.918 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.458 -0.571 . . . . 7.6900000000000004 109.458 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 18.4 tttt 62.93 83.66 0.16 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 7.4500000000000002 109.539 179.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 61.97 153.25 0.11 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 6.8399999999999999 109.54 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.67 -162.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.19 1.926 . . . . 5.1200000000000001 110.11 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.76 118.68 22.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.262 -0.899 . . . . 4.6600000000000001 109.428 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.85 -154.81 0.09 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 2.46 109.427 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.39 169.8 36.07 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.348 -1.501 . . . . 1.0800000000000001 109.348 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.1 138.05 56.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.15 -1.206 . . . . 1.6699999999999999 109.485 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.23 155.72 17.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.326 -0.859 . . . . 1.01 109.407 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 91.7 m-85 -138.42 -169.69 2.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.212 -0.93 . . . . 0.63 109.649 -179.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.6 p -154.09 157.05 38.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.949 . . . . 1.1299999999999999 109.475 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.03 129.41 15.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 1.1000000000000001 109.22 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 15.0 tt0 -86.45 135.42 33.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.3700000000000001 109.953 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' D' ' 341' ' ' PHE . 47.3 mt -123.68 119.64 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.834 . . . . 1.1499999999999999 109.146 179.525 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.41 46.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 2.77 109.745 -179.789 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.92 142.96 9.84 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.826 -1.31 . . . . 0.42999999999999999 109.826 179.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.45 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.1 ttm180 -79.61 -51.19 9.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -1.11 . . . . 3.1200000000000001 109.306 179.811 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.25 -41.08 83.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.87 . . . . 2.2200000000000002 109.338 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.46 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.66 -45.17 85.9 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.168 -0.957 . . . . 3.5 109.689 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 47.1 t80 -55.82 -55.1 36.46 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.329 -0.857 . . . . 0.5 109.68 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.36 -38.14 40.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 1.6899999999999999 110.075 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.88 -51.27 65.34 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.151 -0.968 . . . . 1.1399999999999999 110.542 -179.319 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.476 ' CD2' HG22 ' D' ' 332' ' ' ILE . 33.3 m-85 -60.82 -55.47 32.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 109.45 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.4 -34.49 16.43 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.445 -0.785 . . . . 2.96 109.56 179.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.46 -49.93 75.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 1.75 109.458 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.94 -34.37 75.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 1.0800000000000001 108.939 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.02 -52.87 63.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.408 -0.807 . . . . 1.22 109.431 179.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.4 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.0 OUTLIER -63.73 -31.43 72.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 1.73 109.737 -179.9 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.06 -58.62 7.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 1.0700000000000001 109.93 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.48 -40.19 90.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 1.1100000000000001 109.447 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.07 -34.66 72.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.895 . . . . 1.9099999999999999 109.076 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.4 tp -65.27 -39.95 93.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 1.1699999999999999 109.035 179.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -46.46 89.06 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.922 -0.77 . . . . 2.1499999999999999 108.922 179.721 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.04 -30.89 62.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.589 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.39 90.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.348 -0.845 . . . . 1.3 109.583 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -12.28 57.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 1.3999999999999999 109.536 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -11.37 60.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.212 -0.93 . . . . 1.6000000000000001 109.46 179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 -81.09 1.11 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.508 -1.437 . . . . 1.5 109.508 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.9 124.25 32.91 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -1.119 . . . . 4.5499999999999998 109.411 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.77 156.13 1.73 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 5.6699999999999999 109.536 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.83 126.17 19.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.137 1.891 . . . . 6.1200000000000001 110.189 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 117.974 -1.459 . . . . 7.2699999999999996 109.567 179.92 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 46.8 mttt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.592 -0.521 . . . . 7.6600000000000001 109.592 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.61 ' C ' ' HD2' ' A' ' 322' ' ' PRO . 24.1 tttm 81.73 -52.77 0.26 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.726 -0.472 . . . . 7.5099999999999998 109.726 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.594 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 0.7 OUTLIER 99.79 -57.34 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.217 0 CA-C-O 118.695 -0.669 . . . . 6.8099999999999996 111.798 -179.625 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.61 ' HD2' ' C ' ' A' ' 320' ' ' LYS . 3.4 Cg_exo -63.56 155.17 64.43 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 120.829 1.02 . . . . 5.1500000000000004 110.177 -179.712 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.02 124.05 28.85 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -0.889 . . . . 4.7000000000000002 109.523 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.49 -103.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.186 -0.947 . . . . 2.48 109.446 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.35 147.55 44.24 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.656 -1.378 . . . . 1.0800000000000001 109.656 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.39 138.18 58.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.406 -1.055 . . . . 1.7 109.483 179.736 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.53 156.57 16.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 1.04 109.461 179.807 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 75.0 m-85 -140.17 -172.01 3.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.246 -0.909 . . . . 0.65000000000000002 109.628 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.5 p -153.53 163.0 40.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 1.1399999999999999 109.494 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.3 tp -149.47 133.75 17.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 1.0900000000000001 109.403 -179.704 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.49 131.02 34.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 109.482 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 38.5 mt -123.82 116.73 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.915 . . . . 1.1499999999999999 109.526 179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.9 153.88 39.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 2.79 109.615 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.83 138.72 3.19 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.77 -1.332 . . . . 0.45000000000000001 109.77 179.674 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.429 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.5 ttt180 -81.74 -51.02 8.59 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 3.1600000000000001 109.36 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.14 -46.52 85.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.504 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -41.24 93.13 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.245 -0.909 . . . . 3.54 109.479 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -55.42 -54.89 38.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -0.827 . . . . 0.5 109.809 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.24 -34.65 23.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 1.6599999999999999 109.902 -179.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.1 -50.08 71.93 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.106 -0.996 . . . . 1.1499999999999999 110.077 -179.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.1 -53.99 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.899 . . . . 0.34000000000000002 109.266 -179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.41 -34.43 24.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.424 -0.798 . . . . 2.9399999999999999 109.575 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.58 -50.41 73.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -0.974 . . . . 1.74 109.868 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -34.66 75.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.274 -0.891 . . . . 1.0700000000000001 108.941 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.54 57.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.506 -0.746 . . . . 1.22 109.595 179.75 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.85 76.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 1.72 110.027 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.61 55.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 110.139 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.97 -40.09 92.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 1.0800000000000001 109.557 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.41 -36.4 78.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.952 . . . . 1.9099999999999999 109.58 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.66 -48.03 76.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 109.738 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.47 -36.86 81.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.364 -0.835 . . . . 2.1400000000000001 109.194 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.4 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 40.0 m-20 -57.5 -39.59 76.82 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.57 -0.706 . . . . 1.4299999999999999 109.653 179.824 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -45.89 75.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 1.3 109.456 -179.834 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -81.32 -1.45 45.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.302 -0.874 . . . . 1.4199999999999999 109.738 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -69.87 -85.11 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 1.5800000000000001 109.419 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.15 96.98 1.13 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.49 -1.444 . . . . 1.54 109.49 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.06 56.7 3.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.286 -1.126 . . . . 4.5499999999999998 109.482 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.543 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -49.99 -56.19 19.22 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 5.71 109.758 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 3.0 Cg_endo -60.88 121.4 9.64 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.888 1.725 . . . . 6.0899999999999999 110.084 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.952 -1.471 . . . . 7.2400000000000002 109.632 -179.966 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 46.6 mttt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.167 0.508 . . . . 7.6699999999999999 109.635 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.609 ' C ' ' HD2' ' B' ' 322' ' ' PRO . 24.2 tttm 81.7 -52.73 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.864 -0.523 . . . . 7.46 109.711 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' B' ' 320' ' ' LYS . 0.7 OUTLIER 99.81 -57.32 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.156 0 CA-C-O 118.597 -0.716 . . . . 6.79 111.76 -179.713 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.609 ' HD2' ' C ' ' B' ' 320' ' ' LYS . 3.5 Cg_exo -63.56 155.31 63.6 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 C-N-CA 120.754 0.969 . . . . 5.1500000000000004 110.214 -179.732 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.17 124.05 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 4.6600000000000001 109.385 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.37 -103.49 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.11 -0.994 . . . . 2.4700000000000002 109.566 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.05 147.6 43.18 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.614 -1.395 . . . . 1.0600000000000001 109.614 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.41 138.22 58.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.298 -1.119 . . . . 1.6100000000000001 109.48 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.55 156.66 16.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.38 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 75.4 m-85 -140.22 -172.17 3.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.59999999999999998 109.647 -179.828 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.406 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.8 p -153.45 162.89 40.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 1.1000000000000001 109.503 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.38 133.76 17.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 1.1000000000000001 109.459 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.53 131.09 34.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 1.3600000000000001 109.425 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.86 116.65 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 1.1699999999999999 109.506 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.87 153.88 39.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 2.79 109.674 179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 138.65 3.22 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.76 -1.336 . . . . 0.47999999999999998 109.76 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.5 ttt180 -81.71 -50.95 8.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -1.101 . . . . 3.2200000000000002 109.409 179.806 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.51 85.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 2.21 109.508 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -41.29 93.21 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.322 -0.861 . . . . 3.5499999999999998 109.445 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' D' ' 329' ' ' THR . 57.9 t80 -55.41 -54.88 38.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.52000000000000002 109.814 -179.845 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.2 -34.63 23.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.441 -0.787 . . . . 1.6799999999999999 109.867 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.184 -0.948 . . . . 1.1499999999999999 110.032 -179.423 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.13 -53.98 50.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.161 -0.962 . . . . 0.33000000000000002 109.292 -179.854 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.53 -34.37 25.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.371 -0.831 . . . . 3.02 109.567 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.56 -50.45 73.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.197 -0.939 . . . . 1.75 109.806 -179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.41 -34.64 75.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 109.047 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.86 -53.52 57.5 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 1.21 109.645 179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.88 76.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.287 -0.883 . . . . 1.6899999999999999 110.103 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.57 56.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 1.0600000000000001 110.142 -179.477 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.04 -39.92 91.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.219 -0.925 . . . . 1.0800000000000001 109.632 -179.517 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.56 -36.33 78.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.15 -0.969 . . . . 1.9299999999999999 109.542 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.63 -48.02 76.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.418 -0.801 . . . . 1.1399999999999999 109.785 -179.807 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' B' ' 351' ' ' LYS . 15.7 ttmm -61.49 -36.98 81.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.433 -0.792 . . . . 2.1899999999999999 109.133 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -57.37 -39.67 76.49 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.634 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.83 76.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 1.3100000000000001 109.523 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -81.48 -1.32 45.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.368 -0.833 . . . . 1.3999999999999999 109.646 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.86 -85.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.955 . . . . 1.5700000000000001 109.443 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.26 97.12 1.15 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.434 -1.466 . . . . 1.53 109.434 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.12 56.6 3.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.346 -1.091 . . . . 4.5800000000000001 109.537 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.537 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -49.84 -56.21 18.75 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.253 -0.904 . . . . 5.6799999999999997 109.879 -179.926 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 3.0 Cg_endo -60.85 121.41 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.86 1.707 . . . . 6.0499999999999998 110.121 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.469 -1.452 . . . . 7.2000000000000002 109.469 -179.953 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 46.6 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.63 -0.508 . . . . 9.2200000000000006 109.63 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.61 ' C ' ' HD2' ' C' ' 322' ' ' PRO . 24.3 tttm 81.62 -52.61 0.26 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.657 -0.497 . . . . 8.5099999999999998 109.657 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.595 ' CB ' ' O ' ' C' ' 320' ' ' LYS . 0.7 OUTLIER 99.77 -57.33 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.194 0 CA-C-O 118.651 -0.69 . . . . 7.4199999999999999 111.773 -179.653 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.61 ' HD2' ' C ' ' C' ' 320' ' ' LYS . 3.4 Cg_exo -63.61 155.26 64.05 Favored 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 120.765 0.976 . . . . 5.0499999999999998 110.236 -179.696 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.04 123.93 28.77 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.367 -0.833 . . . . 5.1399999999999997 109.505 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.32 -103.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 2.8500000000000001 109.527 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.54 147.56 43.94 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.68 -1.368 . . . . 1.27 109.68 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.39 138.15 58.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.537 -0.978 . . . . 2.1099999999999999 109.457 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.54 156.59 16.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 1.01 109.37 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 75.3 m-85 -140.13 -171.96 3.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.094 -1.004 . . . . 0.57999999999999996 109.568 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.6 p -153.6 162.92 40.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.1599999999999999 109.541 -179.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.4 tp -149.42 133.75 17.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 1.1699999999999999 109.558 -179.787 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.42 131.02 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 1.8100000000000001 109.54 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.79 116.69 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 1.1299999999999999 109.515 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.96 154.04 39.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 2.8199999999999998 109.551 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.76 138.74 3.17 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.814 -1.314 . . . . 0.45000000000000001 109.814 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.5 ttt180 -81.86 -50.87 8.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.339 -1.095 . . . . 3.0800000000000001 109.384 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.22 -46.6 85.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 2.54 109.408 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -41.2 92.8 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.848 . . . . 4.1100000000000003 109.544 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.36 -55.05 36.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 0.56999999999999995 109.747 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.17 -34.6 23.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 1.6599999999999999 109.948 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.15 -50.02 72.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.147 -0.971 . . . . 1.29 110.065 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.2 -53.84 51.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.189 -0.944 . . . . 0.40000000000000002 109.303 -179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.62 -34.23 25.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.844 . . . . 3.8500000000000001 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.73 -50.3 74.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.088 -1.007 . . . . 1.78 109.831 -179.706 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.41 -34.72 75.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 1.1699999999999999 109.026 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.66 55.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.512 -0.742 . . . . 1.2 109.554 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.79 76.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 110.12 -179.573 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.66 55.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 110.098 -179.501 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.87 -40.05 91.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.096 -1.003 . . . . 1.1399999999999999 109.61 -179.581 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.45 -36.39 78.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 2.0899999999999999 109.565 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.6 -48.16 75.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 1.3799999999999999 109.742 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.35 -36.97 81.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.357 -0.839 . . . . 2.6800000000000002 109.134 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.513 -0.742 . . . . 1.3400000000000001 109.595 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.91 75.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 1.3 109.487 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -81.31 -1.53 45.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.8 109.668 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.72 -85.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.172 -0.955 . . . . 1.47 109.524 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.1 96.92 1.12 Allowed Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.564 -1.414 . . . . 1.6599999999999999 109.564 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.02 56.53 3.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -1.154 . . . . 4.7800000000000002 109.457 -179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -49.9 -56.13 19.41 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 6.1900000000000004 109.795 -179.847 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.9 Cg_endo -60.91 121.46 9.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 121.833 1.689 . . . . 6.1799999999999997 110.172 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 118.005 -1.441 . . . . 6.9000000000000004 109.591 -179.939 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 46.5 mttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.607 -0.516 . . . . 7.6900000000000004 109.607 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.608 ' C ' ' HD2' ' D' ' 322' ' ' PRO . 24.1 tttm 81.58 -52.72 0.27 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 109.742 -0.466 . . . . 7.4500000000000002 109.742 -179.91 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.599 ' CB ' ' O ' ' D' ' 320' ' ' LYS . 0.7 OUTLIER 99.8 -57.24 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.149 0 CA-C-O 118.636 -0.697 . . . . 6.8399999999999999 111.876 -179.656 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.608 ' HD2' ' C ' ' D' ' 320' ' ' LYS . 3.5 Cg_exo -63.65 155.24 64.34 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 120.804 1.003 . . . . 5.1200000000000001 110.167 -179.757 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.3 mt -81.05 123.85 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.296 -0.877 . . . . 4.6600000000000001 109.425 179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.39 -103.69 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.088 -1.008 . . . . 2.46 109.454 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.61 147.53 43.78 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.628 -1.389 . . . . 1.0800000000000001 109.628 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.36 138.12 58.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -1.017 . . . . 1.6699999999999999 109.567 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -94.57 156.54 16.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.96 . . . . 1.01 109.46 179.873 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 75.2 m-85 -140.13 -172.11 3.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.63 109.644 -179.777 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.6 p -153.39 163.12 40.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 1.1299999999999999 109.505 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.2 tp -149.52 133.85 17.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.491 -179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.57 131.04 34.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.309 -0.87 . . . . 1.3700000000000001 109.528 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.87 116.64 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 1.1499999999999999 109.502 179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.87 153.9 39.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 2.77 109.625 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.89 138.69 3.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.802 -1.319 . . . . 0.42999999999999999 109.802 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.5 ttt180 -81.67 -51.02 8.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -1.133 . . . . 3.1200000000000001 109.435 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.15 -46.56 85.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 2.2200000000000002 109.456 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.38 92.81 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.224 -0.922 . . . . 3.5 109.446 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' B' ' 329' ' ' THR . 57.9 t80 -55.42 -54.88 38.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.822 . . . . 0.5 109.777 -179.811 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -50.22 -34.68 23.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.938 -179.713 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.99 -50.18 71.78 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.122 -0.987 . . . . 1.1399999999999999 110.086 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -61.06 -53.93 51.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.32000000000000001 109.317 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.6 -34.3 25.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 2.96 109.582 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.58 -50.38 73.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.75 109.78 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.47 -34.64 75.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.323 -0.861 . . . . 1.0800000000000001 109.005 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -58.92 -53.47 58.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.409 -0.807 . . . . 1.22 109.628 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.74 76.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.313 -0.867 . . . . 1.73 110.09 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.6 55.91 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 110.122 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.01 -39.89 91.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.183 -0.948 . . . . 1.1100000000000001 109.677 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.51 -36.38 78.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.9099999999999999 109.593 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.49 -48.17 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 1.1699999999999999 109.78 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.4 -37.01 81.9 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 2.1499999999999999 109.165 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.33 -39.68 76.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.56 -0.712 . . . . 1.4399999999999999 109.656 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.92 75.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 1.3 109.478 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -81.43 -1.38 45.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.3999999999999999 109.684 -179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.85 -85.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 1.6000000000000001 109.5 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.18 97.11 1.14 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.47 -1.452 . . . . 1.5 109.47 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.19 56.7 3.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 4.5499999999999998 109.46 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -49.98 -56.13 19.63 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 5.6699999999999999 109.804 -179.923 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -60.86 121.25 9.41 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 121.922 1.748 . . . . 6.1200000000000001 110.126 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 118.001 -1.444 . . . . 7.2699999999999996 109.537 179.981 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.322 0.582 . . . . 7.6600000000000001 109.528 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 8.8 mttt 60.26 15.69 5.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.922 . . . . 7.5099999999999998 109.577 179.927 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 7.2 mtpt 58.99 161.58 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 6.8099999999999996 109.534 179.911 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.05 -156.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.366 2.044 . . . . 5.1500000000000004 110.318 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.71 167.84 20.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.437 -0.789 . . . . 4.7000000000000002 109.577 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -79.14 -144.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.48 109.526 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.84 161.94 48.81 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.571 -1.412 . . . . 1.0800000000000001 109.571 -179.845 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.54 144.02 44.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.28 -1.129 . . . . 1.7 109.592 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.63 158.85 15.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.285 -0.884 . . . . 1.04 109.342 179.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.4 m-85 -138.96 -169.35 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.65000000000000002 109.558 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.505 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 14.7 p -153.69 157.82 40.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 1.1399999999999999 109.398 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.5 tp -148.61 132.78 17.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 1.0900000000000001 109.632 -179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 3.2 tt0 -87.01 128.02 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.3700000000000001 109.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.77 118.74 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.96 . . . . 1.1499999999999999 109.691 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.6 OUTLIER -74.51 148.56 40.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.404 -0.81 . . . . 2.79 109.777 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.67 140.91 11.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.893 -1.283 . . . . 0.45000000000000001 109.893 179.559 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.0 ttp180 -82.39 -59.24 2.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -1.095 . . . . 3.1600000000000001 109.379 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.32 -42.48 86.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.862 . . . . 2.2200000000000002 109.347 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.543 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.22 96.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 3.54 109.058 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.8 t80 -56.18 -56.83 16.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.481 -0.762 . . . . 0.5 109.68 179.773 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.58 -34.44 25.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.425 -0.797 . . . . 1.6599999999999999 109.737 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -61.91 -48.54 80.01 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 1.1499999999999999 109.609 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.34 -50.39 73.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.34000000000000002 109.171 179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.3 OUTLIER -51.15 -36.61 41.76 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.399 -0.813 . . . . 2.9399999999999999 109.488 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.96 . . . . 1.74 109.873 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.82 -45.23 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.488 -179.779 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -57.96 -44.69 87.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -0.878 . . . . 1.22 109.595 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.54 -38.81 91.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -0.904 . . . . 1.72 109.622 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.11 -49.56 77.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.868 -179.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 42.8 mt -61.41 -41.78 97.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 1.0800000000000001 109.679 -179.664 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.75 -37.46 81.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.25 -0.906 . . . . 1.9099999999999999 109.651 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -64.22 -46.06 85.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 1.1499999999999999 109.514 -179.653 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.384 -0.823 . . . . 2.1400000000000001 109.008 179.884 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.64 -36.56 72.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 109.627 179.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.26 75.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.902 . . . . 1.3 109.735 -179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -82.92 -10.08 58.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 1.4199999999999999 109.598 -179.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.25 68.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.921 . . . . 1.5800000000000001 109.469 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.19 5.28 83.63 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.741 -1.344 . . . . 1.54 109.741 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 20.2 mttt -85.48 150.36 24.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.18 -1.188 . . . . 4.5499999999999998 109.555 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -48.0 107.1 0.68 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 5.71 109.548 -179.902 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.9 Cg_endo -60.85 133.64 48.99 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.999 1.8 . . . . 6.0899999999999999 110.159 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.938 -1.479 . . . . 7.2400000000000002 109.601 179.974 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.408 -0.59 . . . . 7.6699999999999999 109.408 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 8.8 mttt 60.33 15.66 5.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.882 . . . . 7.46 109.543 179.918 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt 58.9 161.46 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.352 -0.842 . . . . 6.79 109.551 179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.0 -156.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.214 1.942 . . . . 5.1500000000000004 110.405 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.84 167.86 20.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 4.6600000000000001 109.555 -179.841 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.22 -144.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -0.88 . . . . 2.4700000000000002 109.533 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.4 161.86 47.81 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.623 -1.391 . . . . 1.0600000000000001 109.623 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.58 144.02 44.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -1.167 . . . . 1.6100000000000001 109.588 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.62 158.87 15.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.96999999999999997 109.33 179.802 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.3 m-85 -138.92 -169.33 2.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.59999999999999998 109.5 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 14.6 p -153.64 157.75 40.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 1.1000000000000001 109.482 -179.792 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.6 tp -148.59 132.92 17.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 1.1000000000000001 109.552 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 3.2 tt0 -87.1 128.01 35.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.507 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.8 mt -123.73 118.84 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -0.983 . . . . 1.1699999999999999 109.718 179.876 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER -74.64 148.74 40.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 2.79 109.712 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.52 140.98 10.97 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.964 -1.255 . . . . 0.47999999999999998 109.964 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 36.0 ttp180 -82.48 -59.26 2.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.391 -1.064 . . . . 3.2200000000000002 109.363 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.34 -42.69 87.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 2.21 109.254 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.26 -44.23 95.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 3.5499999999999998 109.11 179.941 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.5 t80 -56.27 -56.83 16.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.546 -0.721 . . . . 0.52000000000000002 109.656 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -50.52 -34.37 25.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.822 . . . . 1.6799999999999999 109.731 -179.723 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.03 -48.42 80.34 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.228 -0.92 . . . . 1.1499999999999999 109.637 -179.602 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -61.42 -50.39 73.03 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.236 -0.915 . . . . 0.33000000000000002 109.157 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.3 OUTLIER -51.12 -36.6 41.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 3.02 109.46 179.829 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.89 -45.03 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.935 . . . . 1.75 109.783 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.73 -45.23 94.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.609 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -57.89 -44.71 86.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.91 . . . . 1.21 109.692 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.55 -38.63 90.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.649 -179.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.39 77.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.345 -0.847 . . . . 1.0600000000000001 109.837 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 42.9 mt -61.46 -41.78 97.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.615 -179.728 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.89 -37.39 82.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.9299999999999999 109.673 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.0 OUTLIER -64.25 -46.08 85.35 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.419 -0.801 . . . . 1.1399999999999999 109.586 -179.768 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -61.59 -38.4 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.371 -0.831 . . . . 2.1899999999999999 109.003 179.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.64 72.17 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.548 -0.72 . . . . 1.4299999999999999 109.643 179.749 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.37 75.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 1.3100000000000001 109.685 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.412 ' NE2' HD12 ' A' ' 350' ' ' LEU . 15.8 mt-30 -82.89 -10.08 59.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.164 -0.96 . . . . 1.3999999999999999 109.516 -179.795 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.17 68.8 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.177 -0.952 . . . . 1.5700000000000001 109.568 179.841 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 5.27 83.71 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.768 -1.333 . . . . 1.53 109.768 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.441 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 20.1 mttt -85.62 150.39 24.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -1.17 . . . . 4.5800000000000001 109.526 -179.894 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -47.91 107.04 0.67 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 5.6799999999999997 109.458 -179.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.9 Cg_endo -60.82 133.48 48.16 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 121.998 1.799 . . . . 6.0499999999999998 110.205 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.977 -1.457 . . . . 7.2000000000000002 109.579 179.978 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.451 -0.574 . . . . 9.2200000000000006 109.451 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 8.8 mttt 60.36 15.56 5.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 8.5099999999999998 109.558 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' C' ' 320' ' ' LYS . 7.3 mtpt 58.97 161.46 0.09 OUTLIER Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 7.4199999999999999 109.584 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.99 -156.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.324 2.016 . . . . 5.0499999999999998 110.377 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.81 167.96 19.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 5.1399999999999997 109.562 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -79.31 -144.25 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 2.8500000000000001 109.425 -179.845 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.46 161.84 47.98 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.662 -1.375 . . . . 1.27 109.662 -179.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -58.55 143.97 44.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -1.11 . . . . 2.1099999999999999 109.668 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -93.65 158.95 15.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.876 . . . . 1.01 109.335 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -138.99 -169.32 2.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.57999999999999996 109.491 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 14.8 p -153.65 157.81 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 1.1599999999999999 109.501 -179.793 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.4 tp -148.64 132.89 17.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 1.1699999999999999 109.581 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 3.2 tt0 -87.04 127.96 35.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 1.8100000000000001 109.584 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.67 118.84 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 1.1299999999999999 109.67 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.6 OUTLIER -74.59 148.63 40.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.36 -0.837 . . . . 2.8199999999999998 109.77 179.945 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.54 140.89 10.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.964 -1.255 . . . . 0.45000000000000001 109.964 179.622 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.0 ttp180 -82.27 -59.32 2.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.38 -1.07 . . . . 3.0800000000000001 109.416 179.823 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -58.32 -42.5 86.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 2.54 109.317 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.14 96.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.245 -0.909 . . . . 4.1100000000000003 109.029 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.5 t80 -56.35 -56.75 17.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.538 -0.726 . . . . 0.56999999999999995 109.628 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.59 -34.32 25.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 1.6599999999999999 109.812 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -61.96 -48.41 80.49 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.218 -0.926 . . . . 1.29 109.72 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.46 -50.41 72.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.40000000000000002 109.074 179.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.447 ' NH1' ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.11 -36.63 41.41 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.351 -0.843 . . . . 3.8500000000000001 109.495 179.877 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.78 -45.04 95.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.78 109.838 -179.85 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.76 -45.26 94.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 1.1699999999999999 109.521 -179.735 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -57.87 -44.72 86.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.2 109.751 -179.933 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.55 -38.6 90.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 2.1200000000000001 109.641 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.47 77.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.335 -0.853 . . . . 1.0700000000000001 109.89 -179.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 42.8 mt -61.35 -41.87 97.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.41 -0.807 . . . . 1.1399999999999999 109.654 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.77 -37.35 81.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 2.0899999999999999 109.657 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.545 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 0.9 OUTLIER -64.32 -46.11 84.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.417 -0.802 . . . . 1.3799999999999999 109.502 -179.655 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -61.52 -38.53 87.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 2.6800000000000002 108.966 179.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.651 -0.655 . . . . 1.3400000000000001 109.695 179.746 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.33 75.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 1.3 109.628 -179.708 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -82.82 -10.12 59.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 1.8 109.639 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.18 68.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.212 -0.93 . . . . 1.47 109.496 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.18 5.21 83.86 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.727 -1.349 . . . . 1.6599999999999999 109.727 -179.88 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.427 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 20.3 mttt -85.51 150.37 24.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.219 -1.165 . . . . 4.7800000000000002 109.615 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -47.99 107.16 0.69 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.445 -0.784 . . . . 6.1900000000000004 109.532 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.0 Cg_endo -60.91 133.52 48.08 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.02 1.813 . . . . 6.1799999999999997 110.164 179.895 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.042 -1.421 . . . . 6.9000000000000004 109.599 -179.905 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.444 -0.576 . . . . 7.6900000000000004 109.444 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 8.7 mttt 60.33 15.66 5.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 7.4500000000000002 109.559 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' D' ' 320' ' ' LYS . 7.3 mtpt 58.91 161.49 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 6.8399999999999999 109.627 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.95 -156.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.217 1.944 . . . . 5.1200000000000001 110.445 -179.941 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.65 167.97 19.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.318 -0.864 . . . . 4.6600000000000001 109.569 -179.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -79.36 -144.15 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 2.46 109.44 -179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 161.89 48.29 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.595 -1.402 . . . . 1.0800000000000001 109.595 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.6 143.89 44.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.246 -1.15 . . . . 1.6699999999999999 109.557 -179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.49 158.95 15.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 1.01 109.324 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.7 m-85 -139.01 -169.44 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.214 -0.929 . . . . 0.63 109.539 -179.91 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 14.9 p -153.63 157.73 40.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 1.1299999999999999 109.507 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.5 tp -148.52 132.85 17.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.1000000000000001 109.647 -179.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 3.2 tt0 -87.06 128.1 35.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.3700000000000001 109.475 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -123.8 118.74 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 1.1499999999999999 109.7 179.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.6 OUTLIER -74.5 148.73 40.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.77 109.68 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.55 140.83 10.89 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.42999999999999999 109.904 179.488 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 36.0 ttp180 -82.35 -59.21 2.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.282 -1.129 . . . . 3.1200000000000001 109.414 179.857 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -58.42 -42.59 87.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.274 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.532 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.35 -44.22 95.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.389 -0.819 . . . . 3.5 109.061 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.4 t80 -56.3 -56.72 17.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.53 -0.731 . . . . 0.5 109.645 179.932 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -50.63 -34.38 25.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.6899999999999999 109.73 -179.716 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -62.02 -48.44 80.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.15 -0.968 . . . . 1.1399999999999999 109.682 -179.668 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.37 -50.36 73.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.266 -0.896 . . . . 0.32000000000000001 109.188 179.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.448 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.3 OUTLIER -51.19 -36.57 41.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.416 -0.803 . . . . 2.96 109.5 179.804 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -45.03 95.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 1.75 109.825 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.76 -45.3 94.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 1.0800000000000001 109.535 -179.78 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -57.9 -44.75 86.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 1.22 109.664 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.53 -38.64 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.281 -0.887 . . . . 1.73 109.625 -179.842 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.48 77.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 109.9 -179.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 42.7 mt -61.31 -41.88 97.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.881 . . . . 1.1100000000000001 109.637 -179.769 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.9 -37.34 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 1.9099999999999999 109.609 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' D' ' 350' ' ' LEU . 0.9 OUTLIER -64.29 -45.97 85.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 1.1699999999999999 109.532 -179.683 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.545 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.36 -0.838 . . . . 2.1499999999999999 109.031 179.841 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.45 71.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.568 -0.708 . . . . 1.4399999999999999 109.596 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.3 75.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 1.3 109.647 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -82.81 -10.26 58.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.934 . . . . 1.3999999999999999 109.583 -179.914 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.32 69.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 1.6000000000000001 109.414 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 5.19 83.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.79 -1.324 . . . . 1.5 109.79 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.44 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 20.3 mttt -85.47 150.33 24.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.137 -1.214 . . . . 4.5499999999999998 109.576 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -47.91 107.11 0.68 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 5.6699999999999999 109.456 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.8 Cg_endo -60.83 133.56 48.57 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 121.958 1.772 . . . . 6.1200000000000001 110.27 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.577 -1.409 . . . . 7.2699999999999996 109.577 -179.956 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.435 -0.58 . . . . 7.6600000000000001 109.435 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.32 102.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.26 -0.9 . . . . 7.5099999999999998 109.343 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.526 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 55.9 mttt 57.78 60.41 6.37 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.234 -0.916 . . . . 6.8099999999999996 109.194 -179.813 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -61.92 84.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.192 1.928 . . . . 5.1500000000000004 110.504 -179.662 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.14 110.82 15.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 4.7000000000000002 108.999 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.61 97.83 8.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.154 -0.966 . . . . 2.48 109.902 -179.69 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.413 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -73.42 158.43 52.64 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.302 -1.519 . . . . 1.0800000000000001 109.302 179.268 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.64 123.29 15.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.255 . . . . 1.7 108.787 179.381 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 62.7 m-85 -92.13 148.13 22.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 1.04 109.943 -179.501 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 66.2 m-85 -138.29 -168.14 2.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.41 -0.807 . . . . 0.65000000000000002 109.216 179.935 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 37.3 p -153.48 157.73 40.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 1.1399999999999999 109.29 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.75 131.35 14.89 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.299 -0.876 . . . . 1.0900000000000001 109.582 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.9 tt0 -86.38 131.0 34.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 1.3700000000000001 109.195 179.768 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 118.36 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.185 -0.947 . . . . 1.1499999999999999 109.552 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.72 151.39 40.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -0.832 . . . . 2.79 109.445 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.95 135.15 4.25 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.672 -1.371 . . . . 0.45000000000000001 109.672 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.38 -51.23 9.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 3.1600000000000001 109.522 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.14 -45.7 86.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.8 . . . . 2.2200000000000002 109.42 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 1.4 ttt180 -60.29 -41.2 92.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.307 -0.87 . . . . 3.54 109.491 -179.811 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' C' ' 329' ' ' THR . 83.3 t80 -55.02 -55.0 35.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.458 -0.776 . . . . 0.5 109.664 -179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -51.05 -37.1 43.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 1.6599999999999999 109.93 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.0 -50.47 70.62 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.191 -0.943 . . . . 1.1499999999999999 110.182 -179.242 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -60.17 -55.56 32.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.34000000000000002 109.232 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.58 -36.19 33.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.486 -0.759 . . . . 2.9399999999999999 109.632 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.92 -45.0 96.41 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.115 -0.991 . . . . 1.74 109.758 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.2 -43.96 98.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.836 . . . . 1.0700000000000001 109.458 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -58.24 -46.01 86.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.22 109.811 -179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -38.68 91.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 1.72 110.03 -179.637 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.91 52.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 1.0700000000000001 110.038 -179.556 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.481 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 25.8 mt -60.68 -40.75 93.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 109.648 -179.59 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . 0.494 ' CD ' ' H2 ' ' D' ' 502' ' ' HOH . 11.1 mt-10 -59.84 -35.91 75.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 1.9099999999999999 109.422 179.844 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.63 -45.9 84.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 1.1499999999999999 109.213 -179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.29 -37.44 83.2 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.406 -0.809 . . . . 2.1400000000000001 108.858 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.438 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 42.0 m-20 -57.7 -32.66 67.59 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.602 -0.686 . . . . 1.4299999999999999 109.472 179.644 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.04 85.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 1.3 109.333 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.51 -3.24 52.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 1.4199999999999999 109.59 179.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -69.85 -82.59 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.91 . . . . 1.5800000000000001 109.494 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.25 91.52 0.06 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.57 -1.412 . . . . 1.54 109.57 179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -162.38 0.73 Allowed 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.259 -1.142 . . . . 4.5499999999999998 109.468 -179.904 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.53 0.86 Allowed Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.189 -0.944 . . . . 5.71 109.401 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.69 107.95 0.57 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.054 1.836 . . . . 6.0899999999999999 110.141 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.957 -1.468 . . . . 7.2400000000000002 109.514 -179.876 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.413 -0.588 . . . . 7.6699999999999999 109.413 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.36 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.943 . . . . 7.46 109.357 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.528 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 56.0 mttt 57.87 60.37 6.28 Favored Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 6.79 109.19 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -61.87 84.68 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.316 2.011 . . . . 5.1500000000000004 110.486 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.11 110.65 15.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 4.6600000000000001 109.013 179.503 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -81.42 98.61 8.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.134 -0.979 . . . . 2.4700000000000002 109.917 -179.833 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -74.82 158.48 51.35 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.18 -1.568 . . . . 1.0600000000000001 109.18 179.557 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.42 123.16 14.51 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.001 -1.294 . . . . 1.6100000000000001 108.815 179.723 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.427 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 62.7 m-85 -92.1 148.18 22.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.96999999999999997 109.84 -179.438 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 66.2 m-85 -138.3 -168.17 2.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.393 -0.817 . . . . 0.59999999999999998 109.257 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.436 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.0 p -153.52 157.72 40.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 1.1000000000000001 109.282 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.72 131.4 14.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.189 -0.945 . . . . 1.1000000000000001 109.569 -179.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.9 tt0 -86.35 130.9 34.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.322 -0.861 . . . . 1.3600000000000001 109.218 179.744 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.82 118.35 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.582 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.78 151.14 40.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.368 -0.833 . . . . 2.79 109.576 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.34 135.18 4.46 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.623 -1.391 . . . . 0.47999999999999998 109.623 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.37 -51.3 9.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 3.2200000000000002 109.518 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.15 -45.64 87.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 2.21 109.341 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.437 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.4 ttt180 -60.46 -41.12 93.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.275 -0.891 . . . . 3.5499999999999998 109.477 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' D' ' 329' ' ' THR . 83.5 t80 -55.07 -55.01 35.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.338 -0.851 . . . . 0.52000000000000002 109.68 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -51.03 -37.06 43.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 1.6799999999999999 109.873 -179.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.03 -50.48 70.49 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.208 -0.932 . . . . 1.1499999999999999 110.224 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -60.1 -55.64 31.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.33000000000000002 109.235 -179.745 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.54 -36.19 33.16 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.418 -0.801 . . . . 3.02 109.605 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.88 -44.99 96.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.75 109.813 -179.756 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.34 -43.79 98.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.474 -179.859 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.29 -45.98 86.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.867 . . . . 1.21 109.813 -179.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.83 92.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 1.6899999999999999 110.011 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.84 53.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.878 . . . . 1.0600000000000001 110.093 -179.64 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 25.8 mt -60.67 -40.89 93.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 1.0800000000000001 109.552 -179.586 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . 0.465 ' CD ' ' H2 ' ' D' ' 504' ' ' HOH . 11.1 mt-10 -59.83 -35.94 75.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.953 . . . . 1.9299999999999999 109.435 179.879 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.8 tt -64.51 -46.01 84.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.3 -0.875 . . . . 1.1399999999999999 109.281 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.853 -0.795 . . . . 2.1899999999999999 108.853 179.656 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.425 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 42.3 m-20 -57.58 -32.66 67.38 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.558 -0.714 . . . . 1.4299999999999999 109.47 179.629 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.98 85.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.892 . . . . 1.3100000000000001 109.326 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.59 -3.23 52.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.883 . . . . 1.3999999999999999 109.488 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -69.97 -82.55 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.124 -0.985 . . . . 1.5700000000000001 109.424 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.2 91.43 0.06 OUTLIER Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.507 -1.437 . . . . 1.53 109.507 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -162.39 0.73 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.333 -1.098 . . . . 4.5800000000000001 109.446 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.85 158.59 0.86 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 5.6799999999999997 109.404 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.62 107.84 0.56 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.196 1.931 . . . . 6.0499999999999998 110.107 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.037 -1.424 . . . . 7.2000000000000002 109.544 179.988 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.475 -0.565 . . . . 9.2200000000000006 109.475 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.23 102.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.156 -0.965 . . . . 8.5099999999999998 109.39 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 55.8 mttt 57.94 60.27 6.25 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 7.4199999999999999 109.183 -179.786 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -61.76 84.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.264 1.976 . . . . 5.0499999999999998 110.581 -179.718 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.23 110.8 16.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 5.1399999999999997 109.001 179.595 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.53 98.11 8.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.112 -0.992 . . . . 2.8500000000000001 109.946 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -73.99 158.55 52.18 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.28 -1.528 . . . . 1.27 109.28 179.387 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.66 123.12 14.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.082 -1.246 . . . . 2.1099999999999999 108.832 179.602 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 63.0 m-85 -92.02 148.17 22.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.073 -1.017 . . . . 1.01 109.895 -179.406 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 66.1 m-85 -138.33 -168.13 2.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.486 -0.759 . . . . 0.57999999999999996 109.29 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 37.2 p -153.51 157.8 40.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 1.1599999999999999 109.262 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.83 131.35 14.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.275 -0.891 . . . . 1.1699999999999999 109.536 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.93 34.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 1.8100000000000001 109.175 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 38.2 mt -123.74 118.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.958 . . . . 1.1299999999999999 109.687 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.71 151.27 40.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 2.8199999999999998 109.512 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.13 135.16 4.35 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.684 -1.367 . . . . 0.45000000000000001 109.684 179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.47 -51.21 9.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -1.22 . . . . 3.0800000000000001 109.498 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.18 -45.72 87.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.851 . . . . 2.54 109.44 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.481 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.4 ttt180 -60.33 -41.1 92.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.347 -0.845 . . . . 4.1100000000000003 109.491 -179.772 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 329' ' ' THR . 83.0 t80 -55.1 -55.08 35.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.376 -0.827 . . . . 0.56999999999999995 109.628 -179.869 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.9 -37.21 42.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 1.6599999999999999 109.969 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.83 -50.53 70.61 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.296 -0.878 . . . . 1.29 110.304 -179.331 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -59.95 -55.62 31.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.922 . . . . 0.40000000000000002 109.331 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.73 -36.12 34.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.441 -0.787 . . . . 3.8500000000000001 109.615 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -60.8 -45.08 95.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 1.78 109.781 -179.782 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.24 -43.94 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.882 . . . . 1.1699999999999999 109.431 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.26 -45.87 87.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 1.2 109.897 -179.895 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.75 92.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 2.1200000000000001 110.021 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.81 54.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 110.024 -179.585 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 25.9 mt -60.76 -40.87 94.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 1.1399999999999999 109.537 -179.555 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . 0.401 ' CD ' ' H2 ' ' A' ' 501' ' ' HOH . 11.1 mt-10 -59.74 -35.97 75.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -0.883 . . . . 2.0899999999999999 109.457 179.833 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.8 tt -64.62 -45.8 85.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -0.838 . . . . 1.3799999999999999 109.34 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.44 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.6 ttmt -61.24 -37.58 83.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.393 -0.817 . . . . 2.6800000000000002 108.904 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.444 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 42.4 m-20 -57.54 -32.77 67.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.56 -0.712 . . . . 1.3400000000000001 109.464 179.649 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.07 85.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 1.3 109.37 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.58 -3.22 52.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 1.8 109.498 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -69.95 -82.51 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 1.47 109.525 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.33 91.54 0.06 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.559 -1.416 . . . . 1.6599999999999999 109.559 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.78 -162.49 0.74 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.204 -1.174 . . . . 4.7800000000000002 109.52 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.43 0.88 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.215 -0.928 . . . . 6.1900000000000004 109.417 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.41 107.79 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.185 1.923 . . . . 6.1799999999999997 110.084 179.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.967 -1.463 . . . . 6.9000000000000004 109.62 179.973 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.55 -0.537 . . . . 7.6900000000000004 109.55 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.29 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 7.4500000000000002 109.418 -179.834 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.52 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 55.7 mttt 57.87 60.23 6.35 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.104 -0.997 . . . . 6.8399999999999999 109.215 -179.775 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.1 Cg_endo -61.67 84.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.318 2.012 . . . . 5.1200000000000001 110.595 -179.739 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.1 110.78 15.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 4.6600000000000001 109.067 179.537 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.6 98.19 8.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.13 -0.982 . . . . 2.46 109.811 -179.642 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -74.06 158.46 52.04 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.213 -1.555 . . . . 1.0800000000000001 109.213 179.398 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.55 123.32 15.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.028 -1.277 . . . . 1.6699999999999999 108.78 179.554 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 63.2 m-85 -92.22 148.03 22.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.111 -0.993 . . . . 1.01 109.816 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 65.6 m-85 -138.21 -168.14 2.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.822 . . . . 0.63 109.19 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.3 p -153.47 157.67 40.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.223 -0.923 . . . . 1.1299999999999999 109.328 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.72 131.37 14.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.539 -179.797 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.98 34.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.358 -0.838 . . . . 1.3700000000000001 109.183 179.809 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.84 118.3 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.1 -1.0 . . . . 1.1499999999999999 109.55 -179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.71 151.22 40.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.36 -0.837 . . . . 2.77 109.497 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.18 135.17 4.38 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.68 -1.368 . . . . 0.42999999999999999 109.68 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.43 -51.24 9.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -1.134 . . . . 3.1200000000000001 109.522 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.11 -45.7 86.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.389 -0.82 . . . . 2.2200000000000002 109.456 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 1.4 ttt180 -60.41 -41.09 93.19 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.293 -0.879 . . . . 3.5 109.472 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.436 ' CE1' ' O ' ' B' ' 329' ' ' THR . 83.3 t80 -55.0 -55.14 34.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.36 -0.837 . . . . 0.5 109.636 -179.846 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.95 -37.09 42.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.6899999999999999 109.97 -179.765 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.94 -50.51 70.52 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.259 -0.901 . . . . 1.1399999999999999 110.213 -179.287 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -60.04 -55.55 32.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.191 -0.943 . . . . 0.32000000000000001 109.34 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.64 -36.14 33.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 2.96 109.628 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -60.93 -44.94 96.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.75 109.833 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.31 -43.85 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 1.0800000000000001 109.408 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -58.28 -46.03 86.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.79 -179.833 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.67 91.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 1.73 110.023 -179.648 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.23 -53.83 53.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.997 -179.49 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.437 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 25.3 mt -60.61 -40.8 93.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.253 -0.904 . . . . 1.1100000000000001 109.705 -179.636 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . 0.472 ' CD ' ' H2 ' ' B' ' 503' ' ' HOH . 11.2 mt-10 -59.87 -35.88 75.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 1.9099999999999999 109.468 179.819 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.8 tt -64.66 -45.88 84.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 1.1699999999999999 109.238 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.6 ttmt -61.23 -37.62 83.7 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.445 -0.785 . . . . 2.1499999999999999 108.887 179.634 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.44 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 42.3 m-20 -57.65 -32.64 67.48 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.551 -0.718 . . . . 1.4399999999999999 109.472 179.673 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.1 85.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 1.3 109.365 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.54 -3.24 52.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 1.3999999999999999 109.519 179.853 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -69.89 -82.54 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.882 . . . . 1.6000000000000001 109.463 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.32 91.54 0.06 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.474 -1.45 . . . . 1.5 109.474 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -162.49 0.74 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.249 -1.148 . . . . 4.5499999999999998 109.445 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.52 0.86 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 5.6699999999999999 109.453 179.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.51 107.87 0.55 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.088 1.859 . . . . 6.1200000000000001 110.171 179.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.978 -1.456 . . . . 7.2699999999999996 109.49 -179.869 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . 0.401 ' H2 ' ' CD ' ' C' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . 0.472 ' H2 ' ' CD ' ' D' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . 0.494 ' H2 ' ' CD ' ' A' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . 0.465 ' H2 ' ' CD ' ' B' ' 349' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.437 -0.579 . . . . 7.6600000000000001 109.437 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.56 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 10.0 tptt 58.94 91.75 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.231 -0.918 . . . . 7.5099999999999998 109.23 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.732 ' CB ' ' CD ' ' A' ' 322' ' ' PRO . 17.1 mmtt 34.79 -91.11 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.855 0 CA-C-O 118.549 -0.739 . . . . 6.8099999999999996 110.816 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.732 ' CD ' ' CB ' ' A' ' 321' ' ' LYS . 5.6 Cg_exo -53.65 141.87 62.75 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 CA-C-N 119.736 0.942 . . . . 5.1500000000000004 110.416 179.743 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.89 139.93 35.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 4.7000000000000002 109.546 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.74 -134.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.31 -0.869 . . . . 2.48 109.152 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.21 158.03 51.07 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.338 -1.505 . . . . 1.0800000000000001 109.338 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.18 130.0 44.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -1.205 . . . . 1.7 109.357 -179.74 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 16.9 m-85 -92.98 158.35 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 1.04 109.451 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.2 m-85 -139.38 -169.79 2.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.187 -0.946 . . . . 0.65000000000000002 109.358 -179.898 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.1 p -153.56 160.06 42.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.047 -1.033 . . . . 1.1399999999999999 109.565 -179.723 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.89 129.62 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 1.0900000000000001 109.503 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -86.92 128.15 35.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 1.3700000000000001 109.646 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.1 mt -123.87 119.65 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.668 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -73.49 149.79 42.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 2.79 109.589 179.873 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 89.37 130.46 3.95 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.769 -1.333 . . . . 0.45000000000000001 109.769 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 ttp180 -76.93 -51.76 10.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -1.063 . . . . 3.1600000000000001 109.504 179.902 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.05 -46.86 87.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 2.2200000000000002 109.49 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.1 ttt180 -61.6 -42.8 99.39 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.255 -0.903 . . . . 3.54 109.452 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.3 t80 -55.46 -56.89 14.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.52 -0.737 . . . . 0.5 109.936 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.64 -32.98 20.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 109.909 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.7 -49.8 73.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.972 . . . . 1.1499999999999999 109.925 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -61.34 -47.69 84.74 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.16 -0.963 . . . . 0.34000000000000002 109.116 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.22 -41.25 60.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.411 -0.806 . . . . 2.9399999999999999 109.552 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.08 -42.96 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.74 109.976 -179.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.33 -45.06 94.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 109.531 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -57.9 -46.0 85.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 1.22 109.767 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.8 -37.56 84.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 1.72 109.731 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.32 94.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.0700000000000001 109.908 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 12.7 mt -61.61 -46.15 91.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.783 -179.621 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -39.17 83.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.9099999999999999 109.958 -179.885 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.498 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.8 tp -63.57 -43.46 96.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.1499999999999999 109.762 -179.682 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 2.1400000000000001 108.834 179.819 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.441 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 8.1 m-20 -55.6 -34.03 64.48 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.425 -0.797 . . . . 1.4299999999999999 109.507 179.746 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.4 80.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 1.3 109.491 179.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.443 ' NE2' HD12 ' B' ' 350' ' ' LEU . 8.0 mt-30 -82.1 5.59 19.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 1.4199999999999999 109.823 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -69.37 -79.69 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.965 . . . . 1.5800000000000001 109.415 -179.948 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.29 73.37 2.5 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.732 -1.347 . . . . 1.54 109.732 -179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -88.75 20.34 3.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.221 -1.164 . . . . 4.5499999999999998 109.703 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -49.69 152.09 2.69 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.156 -0.965 . . . . 5.71 109.636 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.72 153.61 66.23 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.228 1.952 . . . . 6.0899999999999999 110.142 -179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 CA-C-O 117.995 -1.447 . . . . 7.2400000000000002 109.534 179.982 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.428 -0.582 . . . . 7.6699999999999999 109.428 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' B' ' 322' ' ' PRO . 10.0 tptt 58.85 91.68 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.262 -0.899 . . . . 7.46 109.307 -179.838 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.719 ' CB ' ' CD ' ' B' ' 322' ' ' PRO . 17.1 mmtt 34.85 -91.17 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.851 0 CA-C-O 118.503 -0.76 . . . . 6.79 110.819 -179.835 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.719 ' CD ' ' CB ' ' B' ' 321' ' ' LYS . 5.6 Cg_exo -53.8 141.81 64.62 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 CA-C-N 119.763 0.951 . . . . 5.1500000000000004 110.395 179.854 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -80.75 139.98 35.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.331 -0.856 . . . . 4.6600000000000001 109.473 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.81 -135.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 2.4700000000000002 109.089 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.66 158.19 49.78 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.366 -1.494 . . . . 1.0600000000000001 109.366 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.43 130.12 45.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -1.179 . . . . 1.6100000000000001 109.414 -179.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 17.2 m-85 -93.1 158.33 15.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.338 -0.851 . . . . 0.96999999999999997 109.403 -179.957 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.2 m-85 -139.31 -169.67 2.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.59999999999999998 109.51 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.3 p -153.58 160.1 42.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.004 . . . . 1.1000000000000001 109.646 -179.732 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.7 tp -148.94 129.71 14.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 1.1000000000000001 109.453 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -87.0 128.28 35.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 1.3600000000000001 109.545 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.0 mt -124.02 119.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 1.1699999999999999 109.561 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -73.63 149.89 41.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.79 109.47 179.92 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 89.36 130.5 3.96 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.706 -1.358 . . . . 0.47999999999999998 109.706 179.719 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.2 ttp180 -76.94 -51.81 10.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -1.104 . . . . 3.2200000000000002 109.431 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.84 87.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 2.21 109.588 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.1 ttt180 -61.52 -42.85 99.42 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 3.5499999999999998 109.448 -179.845 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.484 ' CE1' ' O ' ' D' ' 329' ' ' THR . 45.9 t80 -55.56 -56.86 15.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 0.52000000000000002 109.838 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.57 -33.02 20.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.6799999999999999 109.893 -179.669 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.109 -0.994 . . . . 1.1499999999999999 109.847 -179.609 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' D' ' 345' ' ' ASN . 25.6 m-85 -61.31 -47.69 84.79 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.33000000000000002 109.12 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.21 -41.31 60.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.384 -0.822 . . . . 3.02 109.526 179.829 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.17 -42.83 95.82 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 1.75 109.923 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.29 -45.13 94.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 1.0700000000000001 109.576 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.88 -45.96 85.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.883 . . . . 1.21 109.821 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.8 -37.58 84.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.935 . . . . 1.6899999999999999 109.742 -179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.23 94.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.948 -179.84 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 12.7 mt -61.67 -46.12 91.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 1.0800000000000001 109.807 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.57 -39.24 83.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 1.9299999999999999 109.948 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 16.3 tp -63.45 -43.55 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 1.1399999999999999 109.76 -179.741 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.57 -39.03 89.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 2.1899999999999999 108.853 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.446 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 8.1 m-20 -55.56 -34.16 64.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 1.4299999999999999 109.471 179.747 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.44 80.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 1.3100000000000001 109.433 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.442 ' NE2' HD12 ' A' ' 350' ' ' LEU . 7.9 mt-30 -82.03 5.5 19.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.3999999999999999 109.749 -179.816 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -69.29 -79.56 0.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.142 -0.974 . . . . 1.5700000000000001 109.514 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.45 73.21 2.54 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.718 -1.353 . . . . 1.53 109.718 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -88.57 20.29 3.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.15 -1.206 . . . . 4.5800000000000001 109.741 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.68 152.15 2.65 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.163 -0.96 . . . . 5.6799999999999997 109.563 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.63 153.58 66.06 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.242 1.961 . . . . 6.0499999999999998 110.166 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.516 -1.434 . . . . 7.2000000000000002 109.516 179.909 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 33.0 mttt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.483 -0.562 . . . . 9.2200000000000006 109.483 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.55 ' O ' ' HD2' ' C' ' 322' ' ' PRO . 10.1 tptt 59.03 91.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 8.5099999999999998 109.178 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.731 ' CB ' ' CD ' ' C' ' 322' ' ' PRO . 17.1 mmtt 34.79 -90.99 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.814 0 CA-C-O 118.522 -0.751 . . . . 7.4199999999999999 110.892 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.731 ' CD ' ' CB ' ' C' ' 321' ' ' LYS . 5.5 Cg_exo -53.69 141.91 63.08 Favored 'Trans proline' 0 C--O 1.216 -0.624 0 CA-C-N 119.731 0.94 . . . . 5.0499999999999998 110.456 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.85 139.85 35.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.382 -0.824 . . . . 5.1399999999999997 109.476 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.72 -134.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.259 -0.9 . . . . 2.8500000000000001 109.074 179.786 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.03 158.03 50.86 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.303 -1.519 . . . . 1.27 109.303 179.971 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.15 130.06 44.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -1.155 . . . . 2.1099999999999999 109.414 -179.793 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 17.0 m-85 -93.02 158.4 15.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -0.883 . . . . 1.01 109.486 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.2 m-85 -139.39 -169.73 2.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.203 -0.936 . . . . 0.57999999999999996 109.45 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.2 p -153.63 160.03 42.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.194 -0.941 . . . . 1.1599999999999999 109.661 -179.756 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.84 129.81 14.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 1.1699999999999999 109.46 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.12 128.1 35.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.8100000000000001 109.531 -179.919 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.5 mt -123.86 119.72 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.148 -0.97 . . . . 1.1299999999999999 109.618 179.8 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.511 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -73.57 149.82 41.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 2.8199999999999998 109.458 179.941 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 89.32 130.47 3.93 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.755 -1.338 . . . . 0.45000000000000001 109.755 179.779 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.2 ttp180 -76.8 -51.82 10.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -1.154 . . . . 3.0800000000000001 109.483 179.85 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.04 -46.81 87.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 2.54 109.579 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttt180 -61.64 -42.82 99.43 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.327 -0.858 . . . . 4.1100000000000003 109.469 -179.837 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' A' ' 329' ' ' THR . 45.9 t80 -55.5 -56.9 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.372 -0.83 . . . . 0.56999999999999995 109.83 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.54 -33.09 20.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.013 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.65 -49.78 73.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.093 -1.004 . . . . 1.29 109.919 -179.654 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -61.45 -47.67 84.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.40000000000000002 109.094 -179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.11 -41.35 59.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.354 -0.842 . . . . 3.8500000000000001 109.592 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.11 -42.92 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 1.78 109.941 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.34 -45.03 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 1.1699999999999999 109.578 -179.774 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -57.92 -46.01 85.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.848 . . . . 1.2 109.727 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.432 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 5.1 mt-10 -61.92 -37.32 84.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.1200000000000001 109.759 -179.644 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.27 94.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 109.969 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 12.6 mt -61.75 -46.13 90.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.253 -0.905 . . . . 1.1399999999999999 109.788 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.39 -39.27 82.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 2.0899999999999999 109.92 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.3 tp -63.54 -43.53 96.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 1.3799999999999999 109.691 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.55 -39.02 89.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.27 -0.894 . . . . 2.6800000000000002 108.898 179.831 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.45 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 8.0 m-20 -55.65 -34.04 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 1.3400000000000001 109.457 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.37 80.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 1.3 109.424 -179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.44 ' NE2' HD12 ' D' ' 350' ' ' LEU . 8.0 mt-30 -82.11 5.7 18.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.326 -0.859 . . . . 1.8 109.837 -179.895 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -69.46 -79.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.973 . . . . 1.47 109.457 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.28 73.23 2.51 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.726 -1.35 . . . . 1.6599999999999999 109.726 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -88.62 20.23 3.54 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.289 -1.124 . . . . 4.7800000000000002 109.798 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -49.65 152.04 2.68 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.089 -1.007 . . . . 6.1900000000000004 109.695 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.66 153.56 66.31 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.225 1.95 . . . . 6.1799999999999997 110.226 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.975 -1.458 . . . . 6.9000000000000004 109.545 179.958 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.397 -0.594 . . . . 7.6900000000000004 109.397 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.566 ' O ' ' HD2' ' D' ' 322' ' ' PRO . 9.9 tptt 58.9 91.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 7.4500000000000002 109.267 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.728 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 17.0 mmtt 34.73 -91.07 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.844 0 CA-C-O 118.513 -0.756 . . . . 6.8399999999999999 110.845 -179.777 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.728 ' CD ' ' CB ' ' D' ' 321' ' ' LYS . 5.5 Cg_exo -53.6 141.86 62.16 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 CA-C-N 119.688 0.924 . . . . 5.1200000000000001 110.502 179.706 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.96 139.97 35.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.838 . . . . 4.6600000000000001 109.444 179.901 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.78 -134.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 2.46 109.039 179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.428 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -66.92 157.96 50.66 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.347 -1.501 . . . . 1.0800000000000001 109.347 179.885 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.08 129.96 44.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -1.179 . . . . 1.6699999999999999 109.495 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 17.1 m-85 -93.01 158.48 15.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 1.01 109.444 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -139.44 -169.82 2.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -0.887 . . . . 0.63 109.408 -179.885 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.1 p -153.54 160.13 42.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 1.1299999999999999 109.716 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -148.92 129.67 14.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.421 -179.809 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.7 tp60 -86.97 128.17 35.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 1.3700000000000001 109.55 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 33.4 mt -123.96 119.61 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 1.1499999999999999 109.584 179.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.512 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -73.51 149.84 41.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.933 . . . . 2.77 109.517 179.832 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 89.39 130.22 3.88 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.824 -1.31 . . . . 0.42999999999999999 109.824 179.751 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.2 ttp180 -76.7 -51.78 10.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -1.111 . . . . 3.1200000000000001 109.518 179.917 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.71 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.571 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.1 ttt180 -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.339 -0.851 . . . . 3.5 109.433 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.0 t80 -55.54 -56.9 14.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.5 109.832 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.49 -33.2 20.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 1.6899999999999999 109.882 -179.64 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.58 -49.96 73.2 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.112 -0.993 . . . . 1.1399999999999999 109.906 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.29 -47.62 85.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.32000000000000001 109.192 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.16 -41.36 60.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 2.96 109.579 179.748 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.14 -42.78 95.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.75 110.011 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.36 -45.16 94.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 1.0800000000000001 109.547 -179.817 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.433 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 49.1 t30 -57.84 -45.97 85.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.37 -0.831 . . . . 1.22 109.765 -179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.8 -37.5 84.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.216 -0.927 . . . . 1.73 109.754 -179.748 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.34 94.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 109.943 -179.832 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 12.8 mt -61.63 -46.1 91.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.327 -0.858 . . . . 1.1100000000000001 109.863 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.21 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.895 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.522 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 16.0 tp -63.63 -43.51 96.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 1.1699999999999999 109.718 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.432 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 12.3 ttmm -61.5 -39.02 89.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 2.1499999999999999 108.897 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 8.1 m-20 -55.53 -34.2 64.46 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 109.47 179.717 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.24 80.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 1.3 109.528 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.425 ' NE2' HD12 ' C' ' 350' ' ' LEU . 7.9 mt-30 -82.16 5.67 18.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.858 . . . . 1.3999999999999999 109.828 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -69.38 -79.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 1.6000000000000001 109.364 -179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.21 73.17 2.51 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.785 -1.326 . . . . 1.5 109.785 -179.874 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -88.65 20.3 3.51 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.191 -1.182 . . . . 4.5499999999999998 109.728 -179.841 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -49.71 151.99 2.76 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.99 . . . . 5.6699999999999999 109.688 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.47 153.49 65.89 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.289 1.992 . . . . 6.1200000000000001 110.209 179.979 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.007 -1.44 . . . . 7.2699999999999996 109.57 179.867 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.259 -0.645 . . . . 7.6600000000000001 109.259 . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 9.9 mttt 77.44 -29.51 0.17 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 7.5099999999999998 110.586 -179.869 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 19.2 tttt 58.35 66.77 2.45 Favored Pre-proline 0 N--CA 1.487 1.392 0 O-C-N 120.763 -1.211 . . . . 6.8099999999999996 109.376 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.4 86.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.067 1.844 . . . . 5.1500000000000004 110.427 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -84.99 43.61 1.01 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 4.7000000000000002 109.803 179.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.5 -163.79 0.56 Allowed 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.377 -0.827 . . . . 2.48 109.585 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 166.74 45.03 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.583 -1.407 . . . . 1.0800000000000001 109.583 -179.799 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -58.74 141.76 51.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -1.095 . . . . 1.7 109.563 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -93.81 154.26 17.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.362 -0.837 . . . . 1.04 109.35 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.564 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 67.6 m-85 -138.72 -168.33 2.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 0.65000000000000002 109.496 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.1 p -152.93 161.1 42.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.234 -0.916 . . . . 1.1399999999999999 109.597 -179.798 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.7 tp -148.93 132.68 16.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 1.0900000000000001 109.474 -179.732 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 1.0 OUTLIER -86.3 126.23 34.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.3700000000000001 109.617 -179.856 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.9 mt -124.0 115.28 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 1.1499999999999999 109.407 179.759 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.62 147.0 44.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 2.79 109.547 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.44 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.54 134.46 8.51 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.881 -1.288 . . . . 0.45000000000000001 109.881 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.527 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.6 -58.34 3.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 3.1600000000000001 109.371 179.844 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.63 -45.34 89.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 2.2200000000000002 109.424 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.507 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 0.2 OUTLIER -60.44 -41.62 94.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.278 -0.889 . . . . 3.54 109.472 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.9 -53.98 50.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.893 . . . . 0.5 109.48 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.83 -31.18 16.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.031 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.477 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 32.6 ttp -64.69 -48.95 72.81 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.124 -0.985 . . . . 1.1499999999999999 109.671 -179.761 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.58 -52.12 66.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.34000000000000002 109.253 179.885 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' CG ' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.55 -39.21 48.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.351 -0.843 . . . . 2.9399999999999999 109.735 179.916 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.18 -43.87 98.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 1.74 110.005 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.96 -45.78 92.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 1.0700000000000001 109.627 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.1 -44.19 87.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.336 -0.852 . . . . 1.22 109.849 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.99 -41.38 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.72 109.776 -179.722 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.54 87.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 1.0700000000000001 109.559 -179.82 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.451 -0.781 . . . . 1.0800000000000001 109.553 -179.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.46 -38.01 82.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 1.9099999999999999 109.801 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.22 -48.61 77.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 1.1499999999999999 109.879 -179.515 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.72 83.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 2.1400000000000001 109.112 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -33.72 68.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.582 -0.699 . . . . 1.4299999999999999 109.717 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.69 13.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 1.3 109.651 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -80.17 2.48 24.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 1.4199999999999999 109.649 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -80.93 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.167 -0.958 . . . . 1.5800000000000001 109.78 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 26.44 5.71 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.353 -1.099 . . . . 1.54 110.353 -179.512 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 0.38 55.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.938 -1.331 . . . . 4.5499999999999998 109.67 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.436 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 1.0 OUTLIER -51.43 158.25 1.48 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.088 -1.007 . . . . 5.71 109.621 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -62.48 132.25 37.38 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.125 1.883 . . . . 6.0899999999999999 110.226 179.915 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 118.043 -1.421 . . . . 7.2400000000000002 109.55 180.0 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 7.6699999999999999 109.237 . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 9.9 mttt 77.43 -29.52 0.17 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.221 -0.924 . . . . 7.46 110.574 -179.828 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 19.2 tttt 58.36 66.84 2.41 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 120.837 -1.164 . . . . 6.79 109.382 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.48 86.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.145 1.897 . . . . 5.1500000000000004 110.357 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.09 43.79 1.03 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 4.6600000000000001 109.744 179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.55 -164.18 0.61 Allowed 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.4 -0.813 . . . . 2.4700000000000002 109.657 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 166.73 43.6 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.621 -1.392 . . . . 1.0600000000000001 109.621 -179.928 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.8 141.76 52.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.368 -1.078 . . . . 1.6100000000000001 109.593 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -93.76 154.28 17.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.96999999999999997 109.385 179.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 67.7 m-85 -138.71 -168.24 2.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.59999999999999998 109.589 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 15.7 p -153.04 161.08 42.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 1.1000000000000001 109.563 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' D' ' 329' ' ' THR . 15.8 tp -148.92 132.95 17.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 1.1000000000000001 109.411 -179.754 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.45 126.25 34.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 109.541 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.3 mt -123.97 115.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -0.938 . . . . 1.1699999999999999 109.451 179.639 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.61 146.92 44.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.79 109.676 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.43 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.54 134.57 8.55 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.947 -1.261 . . . . 0.47999999999999998 109.947 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -79.62 -58.39 3.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -1.073 . . . . 3.2200000000000002 109.354 179.857 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 15.7 pt-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 2.21 109.437 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.52 ' NH1' ' HG3' ' B' ' 337' ' ' ARG . 0.2 OUTLIER -60.6 -41.47 94.81 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.343 -0.848 . . . . 3.5499999999999998 109.476 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.2 t80 -56.09 -53.89 51.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 0.52000000000000002 109.43 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.9 -31.05 16.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.495 -0.753 . . . . 1.6799999999999999 110.111 -179.793 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.47 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 32.7 ttp -64.83 -48.88 72.74 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.075 -1.016 . . . . 1.1499999999999999 109.601 -179.738 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -60.59 -51.97 67.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.33000000000000002 109.304 179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.468 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.64 -39.25 50.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.362 -0.836 . . . . 3.02 109.615 179.94 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.28 -43.74 98.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.254 -0.904 . . . . 1.75 109.956 -179.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.01 -45.73 92.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.612 -179.667 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.11 -44.11 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.21 109.89 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.05 -41.44 98.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 1.6899999999999999 109.721 -179.704 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.69 -46.39 87.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.86 . . . . 1.0600000000000001 109.59 -179.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.18 -40.55 96.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 1.0800000000000001 109.581 -179.829 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.61 -37.92 83.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.369 -0.832 . . . . 1.9299999999999999 109.725 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.14 -48.76 77.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.507 -0.746 . . . . 1.1399999999999999 109.841 -179.585 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.02 -37.77 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 2.1899999999999999 109.141 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.46 -33.69 68.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.489 -0.757 . . . . 1.4299999999999999 109.685 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -55.69 13.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.691 -179.743 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -80.24 2.45 24.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.3999999999999999 109.621 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -80.95 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.227 -0.92 . . . . 1.5700000000000001 109.799 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 26.45 5.76 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.455 -1.058 . . . . 1.53 110.455 -179.547 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.81 0.39 55.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.925 -1.338 . . . . 4.5800000000000001 109.841 179.831 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.442 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 1.0 OUTLIER -51.42 158.12 1.51 Allowed Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.185 -0.947 . . . . 5.6799999999999997 109.547 -179.964 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -62.31 132.21 37.63 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.208 1.939 . . . . 6.0499999999999998 110.236 179.83 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.923 -1.487 . . . . 7.2000000000000002 109.542 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.261 -0.644 . . . . 9.2200000000000006 109.261 . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 9.9 mttt 77.6 -29.73 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.289 -0.882 . . . . 8.5099999999999998 110.557 -179.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 19.1 tttt 58.47 66.76 2.41 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.2 . . . . 7.4199999999999999 109.322 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.5 86.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.161 1.908 . . . . 5.0499999999999998 110.365 -179.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.2 mt -85.02 43.84 1.03 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.343 -0.848 . . . . 5.1399999999999997 109.804 179.838 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.59 -163.85 0.57 Allowed 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.381 -0.824 . . . . 2.8500000000000001 109.65 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.29 166.73 44.6 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.661 -1.376 . . . . 1.27 109.661 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -58.72 141.76 51.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 2.1099999999999999 109.568 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -93.8 154.29 17.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 1.01 109.312 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.527 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 67.8 m-85 -138.71 -168.36 2.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.57999999999999996 109.584 -179.835 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.473 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.0 p -152.96 160.98 43.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 1.1599999999999999 109.619 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.8 tp -148.84 132.79 17.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 1.1699999999999999 109.498 -179.739 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.34 126.24 34.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 1.8100000000000001 109.588 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.6 mt -123.98 115.32 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.14 -0.975 . . . . 1.1299999999999999 109.427 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.66 146.86 44.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.283 -0.886 . . . . 2.8199999999999998 109.674 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.62 134.43 8.5 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.95 -1.26 . . . . 0.45000000000000001 109.95 179.691 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -79.47 -58.41 3.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.315 -1.109 . . . . 3.0800000000000001 109.444 179.84 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -58.62 -45.27 89.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 2.54 109.452 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.514 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 0.2 OUTLIER -60.66 -41.56 95.24 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.291 -0.88 . . . . 4.1100000000000003 109.367 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.1 t80 -56.05 -53.86 51.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 0.56999999999999995 109.496 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -50.87 -31.14 16.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 1.6599999999999999 110.088 -179.833 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 32.7 ttp -64.79 -48.85 72.97 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.078 -1.014 . . . . 1.29 109.647 -179.77 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -60.57 -52.15 66.41 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.167 -0.958 . . . . 0.40000000000000002 109.3 179.861 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.467 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.63 -39.2 49.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 3.8500000000000001 109.696 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.22 -43.77 98.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 1.78 109.943 -179.756 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.99 -45.67 92.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 1.1699999999999999 109.727 -179.758 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.24 -44.11 88.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 1.2 109.834 -179.821 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.95 -41.48 98.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.31 -0.869 . . . . 2.1200000000000001 109.752 -179.745 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.63 -46.48 86.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 1.0700000000000001 109.574 -179.784 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.12 -40.61 96.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 1.1399999999999999 109.537 -179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.51 -38.09 83.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 2.0899999999999999 109.718 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.18 -48.58 77.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.3799999999999999 109.949 -179.574 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.75 83.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.193 -0.942 . . . . 2.6800000000000002 109.049 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -33.6 68.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.598 -0.689 . . . . 1.3400000000000001 109.7 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -55.63 13.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 1.3 109.596 -179.676 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -80.31 2.47 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 1.8 109.548 -179.893 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -80.92 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.17 -0.956 . . . . 1.47 109.883 -179.898 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 26.43 5.77 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.3 -1.12 . . . . 1.6599999999999999 110.3 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.84 0.32 55.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.975 -1.309 . . . . 4.7800000000000002 109.738 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.436 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 1.0 OUTLIER -51.39 158.24 1.46 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.109 -0.995 . . . . 6.1900000000000004 109.591 -179.906 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 2.3 Cg_endo -62.43 132.26 37.54 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.146 1.898 . . . . 6.1799999999999997 110.236 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.947 -1.474 . . . . 6.9000000000000004 109.51 179.924 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.25 -0.648 . . . . 7.6900000000000004 109.25 . . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 9.9 mttt 77.53 -29.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.36 -0.838 . . . . 7.4500000000000002 110.533 -179.902 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 19.1 tttt 58.46 66.76 2.42 Favored Pre-proline 0 N--CA 1.486 1.372 0 O-C-N 120.73 -1.231 . . . . 6.8399999999999999 109.38 -179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.46 86.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.136 1.89 . . . . 5.1200000000000001 110.416 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.98 43.7 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 4.6600000000000001 109.827 179.821 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.43 -163.87 0.57 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.356 -0.84 . . . . 2.46 109.666 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.71 44.86 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.603 -1.399 . . . . 1.0800000000000001 109.603 -179.894 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -58.72 141.8 51.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -1.185 . . . . 1.6699999999999999 109.548 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.83 154.2 17.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 1.01 109.377 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 67.7 m-85 -138.74 -168.3 2.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.63 109.533 -179.812 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.0 p -152.99 161.09 42.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -0.95 . . . . 1.1299999999999999 109.63 -179.743 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.0 tp -148.9 132.78 17.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 1.1000000000000001 109.549 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.35 126.17 34.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 1.3700000000000001 109.626 -179.839 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -123.91 115.24 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 1.1499999999999999 109.485 179.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.59 146.79 44.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 2.77 109.638 -179.96 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.68 134.44 8.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.864 -1.294 . . . . 0.42999999999999999 109.864 179.64 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.53 -58.42 3.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -1.163 . . . . 3.1200000000000001 109.395 179.828 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 15.7 pt-20 -58.63 -45.33 89.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.403 -0.811 . . . . 2.2200000000000002 109.407 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.507 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 0.2 OUTLIER -60.45 -41.64 94.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.332 -0.855 . . . . 3.5 109.468 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.5 t80 -55.88 -53.95 50.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.257 -0.902 . . . . 0.5 109.513 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.92 -31.07 16.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.6899999999999999 110.063 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.475 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 32.5 ttp -64.85 -48.83 72.91 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.087 -1.008 . . . . 1.1399999999999999 109.644 -179.742 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.55 -52.14 66.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.32000000000000001 109.26 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.45 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.69 -39.17 50.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.96 109.647 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.24 -43.81 98.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.917 . . . . 1.75 109.927 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.88 -45.73 92.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.883 . . . . 1.0800000000000001 109.71 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.2 -44.13 87.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 1.22 109.826 -179.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.06 -41.4 98.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 1.73 109.748 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.74 -46.23 87.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.347 -0.845 . . . . 1.0700000000000001 109.651 -179.807 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.27 -40.68 97.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 1.1100000000000001 109.412 -179.892 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.43 -38.21 83.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.455 -0.778 . . . . 1.9099999999999999 109.726 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.0 -48.67 77.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 1.1699999999999999 109.978 -179.609 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.11 -37.8 84.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 2.1499999999999999 109.124 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -33.65 68.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.643 -0.661 . . . . 1.4399999999999999 109.737 179.818 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.65 13.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 1.3 109.71 -179.739 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -80.19 2.45 24.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -0.879 . . . . 1.3999999999999999 109.662 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.4 -81.04 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.328 -0.857 . . . . 1.6000000000000001 109.86 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.37 26.41 5.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.458 -1.057 . . . . 1.5 110.458 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 0.35 55.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.942 -1.328 . . . . 4.5499999999999998 109.758 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.444 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 1.0 OUTLIER -51.37 158.14 1.48 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.144 -0.972 . . . . 5.6699999999999999 109.618 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 2.3 Cg_endo -62.39 132.15 37.15 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.207 1.938 . . . . 6.1200000000000001 110.162 179.867 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 117.984 -1.453 . . . . 7.2699999999999996 109.58 179.952 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 3.1 mtmt . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.419 -0.586 . . . . 7.6600000000000001 109.419 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 80.88 -40.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.528 -0.733 . . . . 7.5099999999999998 110.184 -179.859 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 59.97 99.93 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.985 -1.072 . . . . 6.8099999999999996 109.582 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.13 127.34 23.8 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.005 1.803 . . . . 5.1500000000000004 110.23 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.65 124.08 28.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 4.7000000000000002 109.635 -179.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -81.78 6.44 15.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 2.48 109.797 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.72 151.28 52.01 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.7 -1.36 . . . . 1.0800000000000001 109.7 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.27 132.94 55.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -1.095 . . . . 1.7 109.703 -179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.57 157.8 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 1.04 109.383 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -140.17 -174.88 4.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.328 -0.858 . . . . 0.65000000000000002 109.48 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.0 p -153.12 159.68 42.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.981 . . . . 1.1399999999999999 109.688 -179.681 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.5 tp -148.23 130.26 15.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 1.0900000000000001 109.365 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.97 34.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 1.3700000000000001 109.676 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 50.7 mt -123.98 118.85 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.935 . . . . 1.1499999999999999 109.412 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 0.1 OUTLIER -74.21 136.39 42.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 2.79 109.606 179.947 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.45 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 103.11 129.9 6.8 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.888 -1.285 . . . . 0.45000000000000001 109.888 179.637 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.503 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 55.7 ttt180 -74.83 -54.71 6.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.34 -1.094 . . . . 3.1600000000000001 109.421 179.859 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.07 -45.99 86.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 2.2200000000000002 109.541 179.954 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -60.6 -41.67 95.23 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.262 -0.899 . . . . 3.54 109.38 179.958 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' C' ' 329' ' ' THR . 61.6 t80 -56.05 -55.81 28.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.538 -0.726 . . . . 0.5 109.784 -179.884 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.87 -33.74 17.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 1.6599999999999999 110.024 -179.515 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.82 -49.18 75.94 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.188 -0.945 . . . . 1.1499999999999999 109.77 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.64 -50.78 71.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.366 -0.834 . . . . 0.34000000000000002 109.172 179.961 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.443 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.94 32.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.358 -0.839 . . . . 2.9399999999999999 109.603 179.754 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.21 -48.57 81.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.138 -0.976 . . . . 1.74 109.493 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.99 -35.16 77.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 109.038 179.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.4 -52.74 64.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.38 -0.825 . . . . 1.22 109.651 179.87 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.82 -33.24 74.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.436 -0.79 . . . . 1.72 109.884 -179.646 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.59 68.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 110.106 -179.638 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.455 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 70.6 mt -61.23 -43.69 98.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -0.913 . . . . 1.0800000000000001 109.814 -179.615 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -59.83 -38.57 82.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.717 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.3 tt -64.85 -41.77 95.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 1.1499999999999999 109.192 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.446 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.3 OUTLIER -61.6 -40.53 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 2.1400000000000001 108.89 179.625 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.88 -35.08 63.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.622 -0.674 . . . . 1.4299999999999999 109.492 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.84 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.301 -0.874 . . . . 1.3 109.289 179.815 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.2 -5.54 58.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.437 -0.789 . . . . 1.4199999999999999 109.521 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -88.72 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 1.5800000000000001 109.428 179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.27 97.81 2.03 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.609 -1.397 . . . . 1.54 109.609 179.926 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -87.84 110.99 20.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -1.135 . . . . 4.5499999999999998 109.386 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.461 ' CG ' ' HD2' ' A' ' 359' ' ' PRO . 18.6 tt0 -50.42 138.15 21.78 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.334 -0.854 . . . . 5.71 109.499 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 358' ' ' GLU . 3.2 Cg_exo -61.06 135.87 61.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.978 1.785 . . . . 6.0899999999999999 110.204 179.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.952 -1.471 . . . . 7.2400000000000002 109.574 179.944 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 3.2 mtmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.497 -0.557 . . . . 7.6699999999999999 109.497 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 80.86 -40.9 0.16 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.57 -0.706 . . . . 7.46 110.152 -179.808 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 59.99 99.89 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 120.871 -1.143 . . . . 6.79 109.526 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.04 127.37 23.98 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.119 1.879 . . . . 5.1500000000000004 110.129 179.922 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.7 124.0 28.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 4.6600000000000001 109.655 -179.964 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -81.65 6.15 16.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.906 . . . . 2.4700000000000002 109.755 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 151.13 52.13 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.684 -1.366 . . . . 1.0600000000000001 109.684 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.23 132.89 55.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.378 -1.072 . . . . 1.6100000000000001 109.712 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.47 157.87 15.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.96999999999999997 109.374 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -140.22 -174.94 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.59999999999999998 109.447 -179.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.509 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.9 p -153.12 159.63 42.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.119 -0.988 . . . . 1.1000000000000001 109.681 -179.737 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.5 tp -148.12 130.29 15.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 1.1000000000000001 109.433 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 37.9 tt0 -87.16 130.95 34.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 1.3600000000000001 109.667 -179.816 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.93 118.85 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 1.1699999999999999 109.403 179.733 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.18 136.41 42.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 2.79 109.68 179.907 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 103.09 129.89 6.8 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.47999999999999998 109.916 179.659 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 55.6 ttt180 -74.77 -54.7 6.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -1.113 . . . . 3.2200000000000002 109.465 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.16 -45.84 86.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 2.21 109.476 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -60.66 -41.86 95.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.287 -0.883 . . . . 3.5499999999999998 109.251 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.8 t80 -55.8 -55.92 26.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.603 -0.685 . . . . 0.52000000000000002 109.903 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.86 -33.72 17.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 1.6799999999999999 110.039 -179.535 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.81 -49.24 75.74 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.161 -0.962 . . . . 1.1499999999999999 109.764 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.65 -50.77 71.18 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.173 -0.955 . . . . 0.33000000000000002 109.169 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.445 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.4 OUTLIER -50.65 -35.99 33.36 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.471 -0.768 . . . . 3.02 109.511 179.855 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 1.75 109.514 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.16 -34.93 77.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.045 179.742 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.35 -52.86 63.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.418 -0.802 . . . . 1.21 109.627 179.746 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 1.6899999999999999 109.905 -179.591 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.47 -51.54 68.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 1.0600000000000001 109.972 -179.569 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.486 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 70.2 mt -61.35 -43.55 98.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 1.0800000000000001 109.75 -179.507 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.92 -38.54 82.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 1.9299999999999999 109.801 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.3 tt -64.77 -41.81 95.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.315 -179.722 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -40.39 94.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.426 -0.796 . . . . 2.1899999999999999 108.946 179.566 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.83 -35.2 63.7 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.604 -0.685 . . . . 1.4299999999999999 109.55 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.85 88.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.227 -0.921 . . . . 1.3100000000000001 109.323 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.13 -5.59 58.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.354 -0.841 . . . . 1.3999999999999999 109.55 179.803 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.45 -88.66 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.949 . . . . 1.5700000000000001 109.432 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.42 97.87 2.04 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.555 -1.418 . . . . 1.53 109.555 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -87.78 110.99 20.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.225 -1.162 . . . . 4.5800000000000001 109.486 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.451 ' CG ' ' HD2' ' B' ' 359' ' ' PRO . 18.6 tt0 -50.39 138.07 21.69 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 5.6799999999999997 109.453 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -60.98 135.79 61.45 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.066 1.844 . . . . 6.0499999999999998 110.202 179.844 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.955 -1.469 . . . . 7.2000000000000002 109.548 179.952 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 3.1 mtmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.476 -0.565 . . . . 9.2200000000000006 109.476 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 80.9 -40.96 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.465 -0.772 . . . . 8.5099999999999998 110.149 -179.813 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 60.1 100.01 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 7.4199999999999999 109.509 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -59.33 127.37 23.69 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.013 1.809 . . . . 5.0499999999999998 110.132 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 50.0 mt -80.63 124.1 28.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.873 . . . . 5.1399999999999997 109.624 -179.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -81.74 6.32 15.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 2.8500000000000001 109.688 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.55 151.3 52.12 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.622 -1.391 . . . . 1.27 109.622 -179.826 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.4 132.91 55.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.067 . . . . 2.1099999999999999 109.674 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.85 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 1.01 109.36 179.808 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.3 m-85 -140.25 -174.95 4.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.57999999999999996 109.429 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.9 p -153.08 159.76 42.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.073 -1.017 . . . . 1.1599999999999999 109.736 -179.751 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.5 tp -148.22 130.27 15.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 1.1699999999999999 109.349 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 37.9 tt0 -87.05 131.05 34.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 1.8100000000000001 109.654 -179.874 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.6 mt -124.02 118.86 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 1.1299999999999999 109.416 179.654 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.451 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 0.1 OUTLIER -74.16 136.45 42.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 2.8199999999999998 109.574 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 103.14 129.87 6.79 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.929 -1.268 . . . . 0.45000000000000001 109.929 179.679 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.504 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 55.7 ttt180 -74.89 -54.72 6.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.225 -1.162 . . . . 3.0800000000000001 109.389 179.76 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.09 -45.89 86.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 2.54 109.484 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.7 OUTLIER -60.76 -41.7 96.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.31 -0.869 . . . . 4.1100000000000003 109.283 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 329' ' ' THR . 61.8 t80 -55.98 -55.94 26.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.548 -0.72 . . . . 0.56999999999999995 109.768 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.83 -33.74 17.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 1.6599999999999999 110.025 -179.545 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.86 -49.19 75.83 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.08 -1.013 . . . . 1.29 109.768 -179.711 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.59 -50.76 71.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.255 -0.903 . . . . 0.40000000000000002 109.235 179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.44 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.95 32.82 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 3.8500000000000001 109.614 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.14 -48.66 80.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.78 109.436 -179.914 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.07 -35.05 77.5 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.243 -0.911 . . . . 1.1699999999999999 109.044 179.739 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.31 -52.87 63.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.493 -0.754 . . . . 1.2 109.649 179.757 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.18 74.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 2.1200000000000001 109.962 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.42 -51.59 68.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 110.005 -179.655 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 70.0 mt -61.33 -43.46 98.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.887 . . . . 1.1399999999999999 109.803 -179.518 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.92 -38.62 82.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.948 . . . . 2.0899999999999999 109.774 -179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.3 tt -64.82 -41.71 95.54 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.273 -0.892 . . . . 1.3799999999999999 109.353 -179.711 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -40.4 94.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 2.6800000000000002 108.923 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.83 -35.23 63.72 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.607 -0.683 . . . . 1.3400000000000001 109.421 179.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.8 87.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.3 109.25 179.9 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.18 -5.51 58.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.387 -0.821 . . . . 1.8 109.56 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.51 -88.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 1.47 109.462 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.52 97.86 2.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.534 -1.426 . . . . 1.6599999999999999 109.534 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -87.8 111.07 20.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.136 -1.214 . . . . 4.7800000000000002 109.382 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' C' ' 359' ' ' PRO . 18.6 tt0 -50.42 138.16 21.76 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 6.1900000000000004 109.469 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.05 135.84 61.51 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.0 1.8 . . . . 6.1799999999999997 110.229 179.81 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.489 -1.444 . . . . 6.9000000000000004 109.489 179.997 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 3.2 mtmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.472 -0.566 . . . . 7.6900000000000004 109.472 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 80.81 -40.86 0.17 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.456 -0.777 . . . . 7.4500000000000002 110.197 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 60.06 99.97 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 120.943 -1.098 . . . . 6.8399999999999999 109.505 179.754 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.28 127.41 23.9 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 121.941 1.761 . . . . 5.1200000000000001 110.187 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 50.0 mt -80.65 124.04 28.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -0.896 . . . . 4.6600000000000001 109.668 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -81.72 6.35 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.46 109.758 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.62 151.28 52.07 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.661 -1.376 . . . . 1.0800000000000001 109.661 -179.774 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.3 132.88 55.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.424 -1.045 . . . . 1.6699999999999999 109.638 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.86 15.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.093 -1.004 . . . . 1.01 109.34 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.5 m-85 -140.31 -174.91 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.197 -0.94 . . . . 0.63 109.432 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.9 p -153.03 159.73 42.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.103 -0.998 . . . . 1.1299999999999999 109.621 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.22 130.21 15.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 1.1000000000000001 109.463 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -87.1 130.89 34.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.911 . . . . 1.3700000000000001 109.658 -179.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 50.5 mt -123.91 118.82 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 1.1499999999999999 109.451 179.694 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 0.1 OUTLIER -74.06 136.32 43.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.081 -1.012 . . . . 2.77 109.61 179.979 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 103.17 130.01 6.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.839 -1.304 . . . . 0.42999999999999999 109.839 179.611 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 55.7 ttt180 -75.0 -54.52 7.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -1.126 . . . . 3.1200000000000001 109.525 179.778 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.27 -45.84 87.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 2.2200000000000002 109.491 179.906 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.7 OUTLIER -60.64 -41.81 95.67 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.236 -0.915 . . . . 3.5 109.255 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' B' ' 329' ' ' THR . 61.6 t80 -55.94 -55.93 26.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.5 109.811 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.76 -33.8 17.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.6899999999999999 110.041 -179.567 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.75 -49.16 76.1 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.136 -0.978 . . . . 1.1399999999999999 109.818 -179.648 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.74 -50.68 71.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.32000000000000001 109.145 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.463 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.69 -35.91 33.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.44 -0.787 . . . . 2.96 109.519 179.89 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.19 -48.58 81.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.165 -0.959 . . . . 1.75 109.454 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.01 -35.2 77.83 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.004 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -59.45 -52.77 64.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.423 -0.798 . . . . 1.22 109.621 179.858 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.84 -33.06 74.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.358 -0.839 . . . . 1.73 109.947 -179.662 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.56 68.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 1.0700000000000001 109.981 -179.654 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 70.6 mt -61.31 -43.53 98.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.31 -0.869 . . . . 1.1100000000000001 109.837 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -59.9 -38.56 82.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.354 -0.842 . . . . 1.9099999999999999 109.794 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.406 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.3 tt -64.76 -41.78 95.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.1699999999999999 109.267 -179.689 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.435 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.3 OUTLIER -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 2.1499999999999999 108.996 179.562 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.85 -35.09 63.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.585 -0.697 . . . . 1.4399999999999999 109.532 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.89 87.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.3 109.234 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -82.03 -5.7 58.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 1.3999999999999999 109.48 179.832 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.4 -88.7 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.175 -0.953 . . . . 1.6000000000000001 109.445 -179.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.36 97.82 2.03 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.553 -1.419 . . . . 1.5 109.553 179.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -87.79 111.02 20.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -1.14 . . . . 4.5499999999999998 109.457 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.445 ' CG ' ' HD2' ' D' ' 359' ' ' PRO . 18.6 tt0 -50.4 138.14 21.69 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 5.6699999999999999 109.421 -179.933 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.445 ' HD2' ' CG ' ' D' ' 358' ' ' GLU . 3.2 Cg_exo -61.03 135.8 61.33 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.008 1.805 . . . . 6.1200000000000001 110.199 179.826 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.899 -1.5 . . . . 7.2699999999999996 109.572 179.936 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.258 0.551 . . . . 7.6600000000000001 109.519 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 63.68 139.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 7.5099999999999998 109.436 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.24 147.68 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.237 -0.914 . . . . 6.8099999999999996 109.443 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.55 -154.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.067 1.845 . . . . 5.1500000000000004 110.255 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 131.64 35.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.873 . . . . 4.7000000000000002 109.472 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.63 -128.91 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.241 -0.912 . . . . 2.48 109.173 179.772 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.78 155.81 52.82 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.379 -1.489 . . . . 1.0800000000000001 109.379 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.01 140.31 52.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -1.199 . . . . 1.7 109.507 -179.72 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 25.1 m-85 -93.34 154.58 17.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 1.04 109.307 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 78.2 m-85 -139.34 -168.92 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.173 -0.954 . . . . 0.65000000000000002 109.734 -179.708 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.5 p -153.15 157.75 40.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.295 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' C' ' 329' ' ' THR . 23.7 tp -149.41 136.08 19.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 1.0900000000000001 109.52 -179.729 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.84 130.79 34.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 1.3700000000000001 109.365 -179.996 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 31.4 mt -123.86 112.49 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 1.1499999999999999 109.557 179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.3 41.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 2.79 109.471 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 138.28 8.01 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.755 -1.338 . . . . 0.45000000000000001 109.755 179.838 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 31.5 ttm180 -80.7 -58.48 3.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.351 -1.088 . . . . 3.1600000000000001 109.47 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.72 -43.68 85.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.2200000000000002 109.452 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.42 -43.5 96.68 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 3.54 109.302 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -55.35 -56.4 20.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.5 109.546 179.897 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.44 -34.98 37.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.6599999999999999 110.001 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.93 -48.65 77.99 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.072 -1.018 . . . . 1.1499999999999999 109.95 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.31 -46.47 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.185 -0.947 . . . . 0.34000000000000002 109.152 -179.925 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -41.51 63.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 2.9399999999999999 109.736 179.805 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.38 81.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.249 -0.907 . . . . 1.74 110.051 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.61 -34.12 75.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.986 . . . . 1.0700000000000001 108.925 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.77 -57.74 11.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.398 -0.814 . . . . 1.22 109.432 179.715 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 1.72 109.891 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -52.95 63.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 109.811 -179.667 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.44 -38.52 87.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 1.0800000000000001 109.437 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.21 -38.06 82.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 1.9099999999999999 109.667 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 9.8 tp -63.69 -46.52 85.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.609 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.416 ' HE3' ' HG3' ' B' ' 346' ' ' GLU . 12.1 ttmm -61.3 -36.16 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 2.1400000000000001 109.039 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -56.82 -35.99 69.44 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 1.4299999999999999 109.757 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.78 -49.89 64.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 1.3 109.591 -179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -81.13 0.62 35.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.4199999999999999 109.728 179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.98 -82.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.945 . . . . 1.5800000000000001 109.778 -179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.34 74.79 2.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.804 -1.318 . . . . 1.54 109.804 -179.745 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -87.69 130.71 34.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.214 -1.168 . . . . 4.5499999999999998 109.553 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -49.88 110.84 1.77 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 5.71 109.522 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.97 139.27 87.05 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.949 1.766 . . . . 6.0899999999999999 110.446 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 CA-C-O 117.987 -1.452 . . . . 7.2400000000000002 109.562 179.955 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.279 0.561 . . . . 7.6699999999999999 109.488 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.63 139.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 7.46 109.557 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 63.22 147.68 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.347 -0.846 . . . . 6.79 109.425 -179.896 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.51 -154.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.075 1.85 . . . . 5.1500000000000004 110.235 179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 131.61 35.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 4.6600000000000001 109.474 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -79.83 -129.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 2.4700000000000002 108.925 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.98 155.77 52.31 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.357 -1.497 . . . . 1.0600000000000001 109.357 179.875 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.05 140.32 52.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.147 -1.208 . . . . 1.6100000000000001 109.514 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 25.7 m-85 -93.4 154.75 17.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.96999999999999997 109.315 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.3 m-85 -139.45 -169.0 2.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.256 -0.902 . . . . 0.59999999999999998 109.717 -179.664 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.408 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.5 p -153.18 157.66 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 1.1000000000000001 109.365 -179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.9 tp -149.24 136.12 19.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 1.1000000000000001 109.573 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.89 130.66 34.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 109.455 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 31.2 mt -123.73 112.49 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 1.1699999999999999 109.578 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.3 151.31 41.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 2.79 109.433 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.1 7.94 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.756 -1.338 . . . . 0.47999999999999998 109.756 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.5 ttm180 -80.46 -58.44 3.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -1.088 . . . . 3.2200000000000002 109.642 179.919 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.82 -43.57 85.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 2.21 109.51 179.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.38 -43.58 96.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.237 -0.914 . . . . 3.5499999999999998 109.385 179.824 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' D' ' 329' ' ' THR . 40.8 t80 -55.3 -56.41 20.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.52000000000000002 109.579 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.37 -34.99 36.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 1.6799999999999999 110.006 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.97 -48.68 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.099 -1.001 . . . . 1.1499999999999999 109.943 -179.48 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -61.29 -46.38 90.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 109.21 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -41.4 63.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.429 -0.794 . . . . 3.02 109.792 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.54 -48.32 82.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 1.75 109.943 -179.532 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 46.3 mt -61.72 -34.02 75.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 1.0700000000000001 108.979 179.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -59.7 -57.71 11.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.434 -0.791 . . . . 1.21 109.494 179.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.416 ' HG3' ' HE3' ' A' ' 351' ' ' LYS . 12.7 pt-20 -62.7 -27.38 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 1.6899999999999999 109.848 -179.771 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.84 -53.12 61.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.169 -0.957 . . . . 1.0600000000000001 109.763 -179.652 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 62.4 mt -61.43 -38.5 87.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 1.0800000000000001 109.384 -179.744 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.15 -38.01 81.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.9299999999999999 109.695 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.7 tp -63.75 -46.55 84.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.349 -0.844 . . . . 1.1399999999999999 109.527 -179.765 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.1 ttmm -61.3 -36.18 79.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.463 -0.773 . . . . 2.1899999999999999 109.084 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -56.7 -36.11 69.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.731 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -50.02 64.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 1.3100000000000001 109.579 -179.761 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -81.06 0.77 34.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 1.3999999999999999 109.73 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.17 -82.37 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.112 -0.993 . . . . 1.5700000000000001 109.753 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.34 74.85 2.43 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.766 -1.334 . . . . 1.53 109.766 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.69 130.79 34.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -1.162 . . . . 4.5800000000000001 109.555 179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -50.0 110.84 1.79 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.288 -0.882 . . . . 5.6799999999999997 109.455 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.97 139.35 87.45 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.969 1.779 . . . . 6.0499999999999998 110.343 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 118.006 -1.441 . . . . 7.2000000000000002 109.508 179.969 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.298 0.57 . . . . 9.2200000000000006 109.483 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.66 139.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.221 -0.924 . . . . 8.5099999999999998 109.452 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 63.25 147.66 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.367 -0.833 . . . . 7.4199999999999999 109.407 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.47 -154.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.113 1.875 . . . . 5.0499999999999998 110.301 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 131.67 35.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.264 -0.897 . . . . 5.1399999999999997 109.486 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.7 -129.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 2.8500000000000001 109.026 179.824 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.55 155.84 52.67 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.333 -1.507 . . . . 1.27 109.333 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.01 140.28 52.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.242 -1.152 . . . . 2.1099999999999999 109.443 -179.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.2 m-85 -93.34 154.76 17.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 1.01 109.32 179.877 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.3 m-85 -139.5 -169.02 2.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.246 -0.909 . . . . 0.57999999999999996 109.812 -179.684 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.6 p -153.11 157.72 40.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 1.1599999999999999 109.316 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 329' ' ' THR . 23.7 tp -149.36 136.1 19.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.202 -0.936 . . . . 1.1699999999999999 109.565 -179.709 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -85.87 130.79 34.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 1.8100000000000001 109.41 179.994 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 31.5 mt -123.87 112.46 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.195 -0.941 . . . . 1.1299999999999999 109.441 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.27 41.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.413 -0.804 . . . . 2.8199999999999998 109.527 179.767 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 138.08 7.89 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.764 -1.334 . . . . 0.45000000000000001 109.764 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.433 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 31.5 ttm180 -80.47 -58.44 3.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 3.0800000000000001 109.545 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.71 -43.66 85.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.357 -0.839 . . . . 2.54 109.437 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -60.42 -43.53 96.65 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.242 -0.911 . . . . 4.1100000000000003 109.287 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -55.45 -56.25 22.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.476 -0.765 . . . . 0.56999999999999995 109.547 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -51.46 -35.0 37.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.6599999999999999 109.964 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.86 -48.86 77.21 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.039 -1.038 . . . . 1.29 109.846 -179.436 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.18 -46.47 90.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.946 . . . . 0.40000000000000002 109.193 -179.918 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.46 63.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 3.8500000000000001 109.71 179.873 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.47 -48.35 81.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.207 -0.933 . . . . 1.78 110.037 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 45.7 mt -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.005 . . . . 1.1699999999999999 109.055 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.63 -57.7 11.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.504 -0.747 . . . . 1.2 109.504 179.606 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.71 -27.37 69.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.537 -0.727 . . . . 2.1200000000000001 109.872 -179.711 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.93 -53.04 62.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.138 -0.976 . . . . 1.0700000000000001 109.78 -179.589 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.36 -38.58 87.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 1.1399999999999999 109.419 -179.824 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.22 -37.92 81.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -0.878 . . . . 2.0899999999999999 109.667 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.74 -46.57 84.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.874 . . . . 1.3799999999999999 109.627 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -61.16 -36.21 79.2 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.359 -0.838 . . . . 2.6800000000000002 109.146 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -56.86 -36.03 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 1.3400000000000001 109.712 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -50.0 64.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.277 -0.889 . . . . 1.3 109.571 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -81.12 0.64 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 1.8 109.695 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.04 -82.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 1.47 109.711 -179.899 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.25 74.72 2.45 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.794 -1.322 . . . . 1.6599999999999999 109.794 -179.693 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.67 130.73 34.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -1.146 . . . . 4.7800000000000002 109.553 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.01 110.91 1.81 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.312 -0.868 . . . . 6.1900000000000004 109.447 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.06 139.25 86.66 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.919 1.746 . . . . 6.1799999999999997 110.381 -179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.937 -1.48 . . . . 6.9000000000000004 109.523 179.965 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.443 -0.577 . . . . 7.6900000000000004 109.443 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.5 139.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 7.4500000000000002 109.572 -179.87 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.21 147.73 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 6.8399999999999999 109.424 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.55 -154.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.065 1.843 . . . . 5.1200000000000001 110.258 -179.983 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.99 131.55 35.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.893 . . . . 4.6600000000000001 109.557 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.65 -129.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 2.46 109.083 179.793 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 155.76 52.67 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.43 -1.468 . . . . 1.0800000000000001 109.43 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -57.98 140.35 52.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 1.6699999999999999 109.516 -179.787 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.429 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 25.2 m-85 -93.37 154.67 17.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 1.01 109.35 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 78.1 m-85 -139.39 -169.03 2.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.63 109.718 -179.65 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.5 p -153.18 157.7 40.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 1.1299999999999999 109.216 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 24.0 tp -149.24 136.17 19.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.169 -0.957 . . . . 1.1000000000000001 109.576 -179.74 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.97 130.8 34.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 1.3700000000000001 109.358 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 31.8 mt -123.84 112.54 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 1.1499999999999999 109.511 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.19 151.27 41.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.259 -0.901 . . . . 2.77 109.474 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.2 7.99 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.74 -1.344 . . . . 0.42999999999999999 109.74 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 31.5 ttm180 -80.61 -58.55 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 3.1200000000000001 109.518 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.68 -43.68 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 2.2200000000000002 109.504 179.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 4.3 ttm180 -60.32 -43.55 96.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.257 -0.902 . . . . 3.5 109.333 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.408 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.4 t80 -55.41 -56.34 21.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.439 -0.788 . . . . 0.5 109.482 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -51.52 -34.84 37.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 1.6899999999999999 109.994 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -62.91 -48.88 77.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.063 -1.023 . . . . 1.1399999999999999 109.893 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.19 -46.4 90.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.936 . . . . 0.32000000000000001 109.205 -179.907 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -41.49 63.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 2.96 109.775 179.844 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.35 81.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 1.75 110.035 -179.57 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.69 -34.01 75.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.91 . . . . 1.0800000000000001 109.013 179.845 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -59.69 -57.74 11.63 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.4 -0.813 . . . . 1.22 109.514 179.601 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.67 -27.3 69.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 1.73 109.92 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.01 62.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.717 -179.605 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.39 -38.61 87.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.272 -0.893 . . . . 1.1100000000000001 109.384 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -37.95 81.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.749 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.83 -46.48 84.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 109.566 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.31 -36.14 79.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 2.1499999999999999 109.105 179.808 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.76 -36.09 69.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.577 -0.702 . . . . 1.4399999999999999 109.801 179.796 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -49.98 64.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.214 -0.929 . . . . 1.3 109.668 -179.882 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -81.11 0.7 34.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.362 -0.836 . . . . 1.3999999999999999 109.615 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -82.35 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 1.6000000000000001 109.778 -179.862 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.42 74.86 2.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.772 -1.331 . . . . 1.5 109.772 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.72 130.71 34.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -1.169 . . . . 4.5499999999999998 109.517 179.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -49.83 110.72 1.72 Allowed Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 5.6699999999999999 109.54 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.86 139.22 87.19 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.018 1.812 . . . . 6.1200000000000001 110.366 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.062 -1.41 . . . . 7.2699999999999996 109.587 179.881 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.446 -0.576 . . . . 7.6600000000000001 109.446 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 321' ' ' LYS . 36.1 tttp 60.24 81.66 0.17 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 7.5099999999999998 109.376 -179.902 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.9 tttt 62.51 140.52 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.187 -0.946 . . . . 6.8099999999999996 109.282 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.7 -10.94 29.91 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 121.867 1.712 . . . . 5.1500000000000004 110.454 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.45 97.37 9.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.131 -0.981 . . . . 4.7000000000000002 109.515 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.13 113.1 20.82 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 2.48 109.65 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.588 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.05 153.4 52.87 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.862 -1.695 . . . . 1.0800000000000001 108.862 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.46 120.78 11.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.257 . . . . 1.7 109.769 -179.642 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 80.7 m-85 -97.8 153.2 18.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -0.933 . . . . 1.04 109.386 179.6 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.3 m-85 -140.26 -175.19 4.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.65000000000000002 109.275 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 8.5 p -152.65 162.61 41.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.086 -1.009 . . . . 1.1399999999999999 109.557 -179.684 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' C' ' 329' ' ' THR . 44.2 tp -149.42 133.78 17.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 1.0900000000000001 109.457 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.51 130.53 34.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.921 . . . . 1.3700000000000001 109.483 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.438 HG23 ' HA ' ' A' ' 338' ' ' PHE . 43.7 mt -123.86 111.98 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.1499999999999999 109.454 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.48 150.06 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 2.79 109.611 179.844 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.74 2.26 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.768 -1.333 . . . . 0.45000000000000001 109.768 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -70.9 -50.44 34.92 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -1.124 . . . . 3.1600000000000001 109.734 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.91 -47.98 81.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.649 -179.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.05 -39.3 85.48 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.242 -0.912 . . . . 3.54 109.629 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.1 t80 -55.36 -53.15 59.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.357 -0.839 . . . . 0.5 109.699 -179.814 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.91 -37.36 43.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -0.862 . . . . 1.6599999999999999 109.914 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.67 -47.46 83.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 110.116 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' A' ' 332' ' ' ILE . 20.8 m-85 -60.84 -51.25 70.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.34000000000000002 109.503 -179.898 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -50.93 -35.22 32.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.377 -0.827 . . . . 2.9399999999999999 109.823 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.08 -52.5 64.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.003 . . . . 1.74 110.027 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.5 -34.62 74.34 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.105 -0.997 . . . . 1.0700000000000001 109.17 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.18 -52.42 65.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 1.22 109.472 179.483 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.24 -29.91 71.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.42 -0.8 . . . . 1.72 109.836 -179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -55.94 24.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.962 -179.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.01 -42.18 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 1.0800000000000001 109.614 -179.542 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.31 -36.86 76.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.9099999999999999 109.691 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.4 tt -66.11 -36.99 84.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 1.1499999999999999 109.21 -179.873 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 1.1 tppp? -60.59 -46.66 89.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.699 -0.852 . . . . 2.1400000000000001 108.699 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -31.14 62.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.609 -0.682 . . . . 1.4299999999999999 109.357 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 1.3 109.521 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -83.38 -13.52 54.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.372 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.2 -14.18 61.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 1.5800000000000001 109.113 179.56 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 37.9 3.09 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.625 -1.39 . . . . 1.54 109.625 179.753 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.6 151.62 23.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.068 -1.254 . . . . 4.5499999999999998 109.38 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -49.35 131.7 17.77 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 5.71 109.556 -179.769 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.41 158.03 38.01 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.953 1.769 . . . . 6.0899999999999999 110.316 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.569 -1.412 . . . . 7.2400000000000002 109.569 179.99 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 21.5 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.533 -0.543 . . . . 7.6699999999999999 109.533 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 321' ' ' LYS . 36.0 tttp 60.26 81.55 0.18 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 7.46 109.459 -179.922 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.9 tttt 62.42 140.57 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.905 . . . . 6.79 109.366 -179.83 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.76 -10.9 29.83 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.9 1.734 . . . . 5.1500000000000004 110.424 -179.687 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.46 97.44 9.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.191 -0.943 . . . . 4.6600000000000001 109.478 179.674 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.18 112.99 20.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.417 -0.802 . . . . 2.4700000000000002 109.71 179.872 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.74 153.61 52.99 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.845 -1.702 . . . . 1.0600000000000001 108.845 179.482 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.65 120.7 11.12 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.061 -1.258 . . . . 1.6100000000000001 109.764 -179.758 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 80.8 m-85 -97.69 153.18 18.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.34 -0.85 . . . . 0.96999999999999997 109.357 179.614 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 63.8 m-85 -140.26 -175.12 4.14 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.188 -0.945 . . . . 0.59999999999999998 109.211 179.707 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 8.6 p -152.69 162.69 40.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.091 -1.006 . . . . 1.1000000000000001 109.632 -179.777 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 44.0 tp -149.46 133.82 17.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.384 -0.823 . . . . 1.1000000000000001 109.334 -179.889 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.61 130.5 34.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.3600000000000001 109.488 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' B' ' 338' ' ' PHE . 43.3 mt -123.8 111.93 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 109.564 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.51 150.11 41.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 2.79 109.505 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 123.83 2.28 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.795 -1.322 . . . . 0.47999999999999998 109.795 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -71.08 -50.47 33.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -1.08 . . . . 3.2200000000000002 109.66 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.78 -48.09 80.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.922 . . . . 2.21 109.631 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.19 -39.28 85.94 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.311 -0.868 . . . . 3.5499999999999998 109.528 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.0 t80 -55.26 -53.26 58.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.52000000000000002 109.728 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.76 -37.45 42.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 1.6799999999999999 109.921 -179.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.63 -47.42 83.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 110.12 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.415 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.6 m-85 -60.91 -51.25 70.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.33000000000000002 109.412 -179.828 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.96 -35.27 32.69 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.337 -0.852 . . . . 3.02 109.755 179.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.06 -52.61 64.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 1.75 109.996 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.8 mt -60.44 -34.57 74.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 1.0700000000000001 109.143 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.33 -52.31 66.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.394 -0.816 . . . . 1.21 109.406 179.559 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.35 -29.77 71.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.38 -0.825 . . . . 1.6899999999999999 109.764 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.09 -55.86 24.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.17 -0.956 . . . . 1.0600000000000001 109.926 -179.708 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.05 -42.21 98.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 1.0800000000000001 109.645 -179.571 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.28 -36.93 76.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.9299999999999999 109.643 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' B' ' 350' ' ' LEU . 1.4 tt -66.03 -37.06 84.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.128 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.481 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 1.1 tppp? -60.58 -46.74 89.1 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.653 -0.869 . . . . 2.1899999999999999 108.653 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.9 -31.15 62.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.681 -0.637 . . . . 1.4299999999999999 109.328 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.68 80.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 1.3100000000000001 109.558 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -83.23 -13.72 54.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 1.3999999999999999 109.415 179.827 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.22 -14.07 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.205 -0.935 . . . . 1.5700000000000001 109.193 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 37.96 3.09 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.616 -1.394 . . . . 1.53 109.616 179.7 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 151.61 23.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.137 -1.214 . . . . 4.5800000000000001 109.438 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -49.5 131.58 18.92 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.071 -1.018 . . . . 5.6799999999999997 109.466 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.2 157.89 37.72 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.991 1.794 . . . . 6.0499999999999998 110.282 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.957 -1.469 . . . . 7.2000000000000002 109.536 179.913 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.53 -0.545 . . . . 9.2200000000000006 109.53 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 321' ' ' LYS . 36.3 tttp 60.19 81.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.199 -0.938 . . . . 8.5099999999999998 109.379 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.9 tttt 62.54 140.47 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 7.4199999999999999 109.317 -179.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.6 -11.13 30.5 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 121.975 1.784 . . . . 5.0499999999999998 110.396 -179.772 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 69.6 mt -84.35 97.45 9.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.158 -0.964 . . . . 5.1399999999999997 109.421 179.776 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.2 113.07 20.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -0.857 . . . . 2.8500000000000001 109.576 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.86 153.64 53.01 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.881 -1.688 . . . . 1.27 108.881 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.61 120.75 11.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.019 -1.283 . . . . 2.1099999999999999 109.79 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 81.1 m-85 -97.71 153.23 18.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 1.01 109.347 179.588 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.2 m-85 -140.35 -175.22 4.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.223 -0.923 . . . . 0.57999999999999996 109.298 179.745 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 8.5 p -152.7 162.7 40.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.1599999999999999 109.558 -179.691 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.51 133.76 17.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.305 -0.872 . . . . 1.1699999999999999 109.412 -179.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.57 130.49 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 1.8100000000000001 109.509 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.427 HG22 ' CD2' ' C' ' 341' ' ' PHE . 43.9 mt -123.8 112.05 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 1.1299999999999999 109.529 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.54 150.11 41.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 2.8199999999999998 109.531 179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 123.95 2.3 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.772 -1.331 . . . . 0.45000000000000001 109.772 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -71.19 -50.47 32.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -1.123 . . . . 3.0800000000000001 109.575 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.93 -47.75 81.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 2.54 109.701 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.34 -39.23 86.37 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.348 -0.845 . . . . 4.1100000000000003 109.535 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.7 t80 -55.48 -53.05 61.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.374 -0.829 . . . . 0.56999999999999995 109.719 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.85 -37.5 43.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.877 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.65 -47.45 83.65 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.181 -0.949 . . . . 1.29 110.049 -179.339 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' C' ' 332' ' ' ILE . 20.8 m-85 -60.81 -51.32 69.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.168 -0.958 . . . . 0.40000000000000002 109.458 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.87 -35.32 32.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.895 . . . . 3.8500000000000001 109.755 179.93 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.97 -52.58 64.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.12 -0.988 . . . . 1.78 109.993 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -60.54 -34.55 74.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 1.1699999999999999 109.101 -179.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.26 -52.41 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.848 . . . . 1.2 109.454 179.568 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.18 -29.85 71.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 2.1200000000000001 109.848 -179.871 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -62.06 -55.86 24.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 1.0700000000000001 109.946 -179.679 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.03 -42.15 97.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.356 -0.84 . . . . 1.1399999999999999 109.666 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.36 -36.91 76.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 2.0899999999999999 109.616 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' C' ' 350' ' ' LEU . 1.4 tt -66.04 -36.99 84.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 1.3799999999999999 109.16 -179.848 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.525 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 1.1 tppp? -60.64 -46.68 89.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.745 -0.835 . . . . 2.6800000000000002 108.745 179.551 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 -31.2 62.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.605 -0.684 . . . . 1.3400000000000001 109.398 179.415 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.85 81.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.374 -0.829 . . . . 1.3 109.583 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -83.29 -13.55 54.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 1.8 109.398 179.897 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.22 -14.09 61.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.218 -0.926 . . . . 1.47 109.17 179.607 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.8 3.09 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.665 -1.374 . . . . 1.6599999999999999 109.665 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 151.68 23.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.113 -1.228 . . . . 4.7800000000000002 109.394 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.35 131.71 17.8 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 6.1900000000000004 109.491 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.41 158.03 38.05 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.002 1.802 . . . . 6.1799999999999997 110.202 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.534 -1.427 . . . . 6.9000000000000004 109.534 179.875 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.433 -0.58 . . . . 7.6900000000000004 109.433 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 321' ' ' LYS . 36.2 tttp 60.16 81.62 0.17 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.223 -0.923 . . . . 7.4500000000000002 109.382 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.9 tttt 62.55 140.52 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.906 . . . . 6.8399999999999999 109.292 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.73 -11.02 30.26 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.965 1.777 . . . . 5.1200000000000001 110.333 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 69.9 mt -84.38 97.34 9.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 4.6600000000000001 109.438 179.822 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.26 113.09 20.86 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.331 -0.855 . . . . 2.46 109.589 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.95 153.53 52.97 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.805 -1.718 . . . . 1.0800000000000001 108.805 179.491 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.49 120.7 11.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.034 -1.274 . . . . 1.6699999999999999 109.751 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 80.7 m-85 -97.71 153.25 18.37 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.945 . . . . 1.01 109.391 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 63.9 m-85 -140.44 -175.19 4.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.63 109.179 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.0 p -152.67 162.64 40.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.125 -0.984 . . . . 1.1299999999999999 109.678 -179.642 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.46 133.81 17.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 1.1000000000000001 109.349 -179.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.56 130.6 34.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 109.505 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.429 HG23 ' HA ' ' D' ' 338' ' ' PHE . 43.5 mt -123.94 112.01 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 109.435 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -73.5 149.94 41.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 2.77 109.545 179.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.14 123.77 2.31 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.674 -1.37 . . . . 0.42999999999999999 109.674 179.694 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -70.96 -50.49 33.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -1.115 . . . . 3.1200000000000001 109.635 179.969 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.94 -47.79 81.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.281 -0.887 . . . . 2.2200000000000002 109.719 -179.74 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.25 -39.26 86.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.262 -0.899 . . . . 3.5 109.616 -179.863 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.5 t80 -55.39 -53.15 59.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.5 109.712 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -37.46 42.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.925 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -62.61 -47.37 84.06 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.3 -0.875 . . . . 1.1399999999999999 110.13 -179.358 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' D' ' 332' ' ' ILE . 20.4 m-85 -60.99 -51.16 70.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.135 -0.978 . . . . 0.32000000000000001 109.416 -179.766 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -51.06 -35.24 33.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.84 . . . . 2.96 109.73 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.94 -52.72 63.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 1.75 109.978 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.37 -34.67 74.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 109.172 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.26 -52.3 66.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 1.22 109.426 179.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.31 -29.89 71.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.73 109.802 -179.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -55.9 24.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.953 -179.672 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.11 -42.18 98.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.223 -0.923 . . . . 1.1100000000000001 109.523 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -59.38 -36.89 76.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.32 -0.862 . . . . 1.9099999999999999 109.632 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.4 tt -66.04 -36.97 84.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.231 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 1.1 tppp? -60.54 -46.77 88.96 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.694 -0.854 . . . . 2.1499999999999999 108.694 179.47 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.91 -31.25 62.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.604 -0.685 . . . . 1.4399999999999999 109.319 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.72 80.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.87 . . . . 1.3 109.524 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -83.31 -13.64 54.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 1.3999999999999999 109.407 179.953 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.21 -14.14 61.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.6000000000000001 109.102 179.664 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.95 3.09 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.645 -1.382 . . . . 1.5 109.645 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 151.63 23.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -1.155 . . . . 4.5499999999999998 109.339 -179.855 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.48 131.74 18.71 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 5.6699999999999999 109.53 -179.687 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.28 157.99 37.63 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.097 1.865 . . . . 6.1200000000000001 110.257 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.538 -1.425 . . . . 7.2699999999999996 109.538 179.869 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.4 -0.592 . . . . 7.6600000000000001 109.4 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 33.3 20.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.927 . . . . 7.5099999999999998 109.543 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 58.49 84.74 0.2 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 6.8099999999999996 109.682 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -68.63 -1.07 6.87 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.159 1.906 . . . . 5.1500000000000004 110.807 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 46.61 1.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.036 -1.04 . . . . 4.7000000000000002 109.698 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -81.12 -79.52 0.16 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.329 -0.857 . . . . 2.48 109.857 -179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 145.8 43.89 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.855 -1.298 . . . . 1.0800000000000001 109.855 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -61.61 138.31 58.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 1.7 109.542 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -96.05 160.78 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.334 -0.854 . . . . 1.04 109.656 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 97.5 m-85 -137.8 -169.53 2.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.105 -0.997 . . . . 0.65000000000000002 109.424 179.97 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 22.0 p -154.17 154.48 33.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.96 . . . . 1.1399999999999999 109.498 -179.829 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' C' ' 329' ' ' THR . 21.1 tp -146.8 133.95 20.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 1.0900000000000001 109.588 -179.831 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -86.67 129.5 34.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.805 . . . . 1.3700000000000001 109.747 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 341' ' ' PHE . 31.1 mt -124.12 109.63 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 109.388 179.68 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.525 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.9 ttt-85 -73.24 153.82 40.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 2.79 109.689 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.64 133.6 6.41 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.703 -1.359 . . . . 0.45000000000000001 109.703 179.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.479 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttm180 -68.84 -57.62 5.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.43 -1.041 . . . . 3.1600000000000001 109.496 179.846 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.43 -39.88 81.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 2.2200000000000002 109.613 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.456 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.12 -48.34 80.5 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.209 -0.932 . . . . 3.54 109.949 -179.761 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' C' ' 329' ' ' THR . 19.1 t80 -55.1 -60.19 3.72 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.41 -0.806 . . . . 0.5 109.807 -179.853 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.46 -34.12 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 110.065 -179.69 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.24 -51.49 63.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.117 -0.99 . . . . 1.1499999999999999 110.248 -179.314 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CB ' HD12 ' A' ' 332' ' ' ILE . 34.9 m-85 -61.56 -54.67 39.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.141 -0.975 . . . . 0.34000000000000002 109.346 -179.733 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.96 -34.08 19.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.45 -0.781 . . . . 2.9399999999999999 109.53 179.826 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.81 -51.45 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 1.74 109.747 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 64.5 mt -60.99 -34.46 74.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.148 -0.97 . . . . 1.0700000000000001 109.141 179.766 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.19 -53.84 53.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.456 -0.778 . . . . 1.22 109.61 179.72 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.61 -31.1 72.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.414 -0.804 . . . . 1.72 109.995 -179.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.09 -55.77 28.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.24 -0.912 . . . . 1.0700000000000001 109.942 -179.715 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.06 -43.55 98.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.887 . . . . 1.0800000000000001 109.627 -179.689 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.46 -33.33 71.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.233 -0.917 . . . . 1.9099999999999999 109.478 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 10.4 tp -65.15 -44.53 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.256 -0.902 . . . . 1.1499999999999999 109.206 179.914 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.55 -48.84 79.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.479 -0.763 . . . . 2.1400000000000001 109.147 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.79 -33.29 66.52 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.566 -0.709 . . . . 1.4299999999999999 109.734 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.72 82.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 1.3 109.702 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -82.21 -9.04 59.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.24 -0.912 . . . . 1.4199999999999999 109.59 -179.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.12 -22.68 61.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.982 . . . . 1.5800000000000001 109.164 179.748 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 17.17 37.51 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.84 -1.304 . . . . 1.54 109.84 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -85.11 138.67 32.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.19 -1.183 . . . . 4.5499999999999998 109.613 -179.868 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -49.94 123.41 15.43 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.35 -0.844 . . . . 5.71 109.535 -179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.78 133.72 46.5 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.042 1.828 . . . . 6.0899999999999999 110.247 179.91 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 118.051 -1.416 . . . . 7.2400000000000002 109.592 179.889 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.336 0.589 . . . . 7.6699999999999999 109.512 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.71 33.31 20.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 7.46 109.511 179.923 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 35.4 mttm 58.45 84.84 0.2 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 6.79 109.66 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.78 -0.92 6.77 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.223 1.949 . . . . 5.1500000000000004 110.76 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.0 mt -85.33 46.59 1.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.961 -1.087 . . . . 4.6600000000000001 109.696 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -81.14 -79.61 0.16 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.355 -0.841 . . . . 2.4700000000000002 109.88 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 145.92 44.66 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.963 -1.255 . . . . 1.0600000000000001 109.963 -179.652 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.86 138.41 58.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -1.069 . . . . 1.6100000000000001 109.48 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -96.11 160.72 14.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.96999999999999997 109.558 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 97.5 m-85 -137.76 -169.41 2.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.59999999999999998 109.44 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 22.2 p -154.18 154.63 33.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.17 -0.956 . . . . 1.1000000000000001 109.517 -179.867 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 20.6 tp -146.96 133.9 20.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 1.1000000000000001 109.627 -179.814 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.461 -0.774 . . . . 1.3600000000000001 109.712 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.456 HD12 ' CB ' ' B' ' 341' ' ' PHE . 31.1 mt -123.98 109.69 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 1.1699999999999999 109.386 179.701 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.517 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 1.9 ttt-85 -73.38 153.64 40.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 2.79 109.696 -179.888 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.67 133.47 6.37 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.843 -1.303 . . . . 0.47999999999999998 109.843 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.73 -57.62 5.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -1.092 . . . . 3.2200000000000002 109.518 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.27 -40.07 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -0.88 . . . . 2.21 109.564 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.461 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.01 -48.47 79.94 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.266 -0.896 . . . . 3.5499999999999998 109.913 -179.701 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 19.3 t80 -55.09 -60.09 3.85 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.37 -0.831 . . . . 0.52000000000000002 109.783 -179.753 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.45 -34.26 24.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.6799999999999999 110.009 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.21 -51.45 63.65 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.243 -0.91 . . . . 1.1499999999999999 110.301 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.456 ' CB ' HD12 ' B' ' 332' ' ' ILE . 34.7 m-85 -61.55 -54.76 38.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.136 -0.977 . . . . 0.33000000000000002 109.334 -179.744 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.76 -34.19 18.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 3.02 109.505 179.8 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -60.82 -51.42 69.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 1.75 109.782 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.96 -34.53 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 109.108 179.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.08 -53.92 52.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.391 -0.818 . . . . 1.21 109.591 179.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.58 -31.04 72.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.385 -0.822 . . . . 1.6899999999999999 110.033 -179.732 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.27 -55.73 28.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 1.0600000000000001 109.882 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.98 -43.6 98.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 1.0800000000000001 109.64 -179.706 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.46 -33.29 71.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 1.9299999999999999 109.465 179.908 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.08 -44.46 88.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 109.338 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.401 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 17.7 ttmm -61.75 -48.8 79.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 2.1899999999999999 109.073 179.749 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -56.77 -33.28 66.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.741 . . . . 1.4299999999999999 109.777 179.745 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.62 82.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 1.3100000000000001 109.725 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -82.35 -8.84 59.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.3999999999999999 109.691 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -22.54 61.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.168 -0.957 . . . . 1.5700000000000001 109.168 179.754 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.94 17.22 37.77 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.812 -1.315 . . . . 1.53 109.812 179.97 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -85.26 138.53 32.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.107 -1.231 . . . . 4.5800000000000001 109.565 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -49.74 123.31 14.64 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 5.6799999999999997 109.508 -179.847 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.71 133.83 47.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 121.987 1.791 . . . . 6.0499999999999998 110.208 179.841 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.08 -1.4 . . . . 7.2000000000000002 109.698 179.903 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.315 0.578 . . . . 9.2200000000000006 109.561 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.57 33.2 20.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.194 -0.941 . . . . 8.5099999999999998 109.634 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 35.3 mttm 58.52 84.79 0.2 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 7.4199999999999999 109.655 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.66 -0.92 6.66 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.156 1.904 . . . . 5.0499999999999998 110.806 179.825 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.44 46.71 1.33 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 5.1399999999999997 109.584 -179.942 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -81.16 -79.51 0.16 Allowed 'General case' 0 C--N 1.294 -1.804 0 O-C-N 121.424 -0.798 . . . . 2.8500000000000001 109.973 -179.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.87 145.59 43.6 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.004 -1.239 . . . . 1.27 110.004 -179.742 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.43 138.3 58.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -1.014 . . . . 2.1099999999999999 109.573 179.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.5 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 9.4 m-85 -95.99 160.99 14.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.207 -0.933 . . . . 1.01 109.506 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.4 m-85 -138.05 -169.65 2.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.57999999999999996 109.424 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 22.0 p -154.11 154.51 33.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 1.1599999999999999 109.551 -179.936 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 20.3 tp -146.72 133.84 20.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 109.612 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 28.5 tt0 -86.7 129.45 34.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 1.8100000000000001 109.685 -179.757 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.454 HD12 ' CB ' ' C' ' 341' ' ' PHE . 30.8 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.21 -0.931 . . . . 1.1299999999999999 109.347 179.661 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.509 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.0 ttt-85 -73.36 153.86 40.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.8199999999999998 109.647 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.54 133.35 6.27 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.758 -1.337 . . . . 0.45000000000000001 109.758 179.621 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.63 -57.67 5.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.242 -1.152 . . . . 3.0800000000000001 109.448 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.37 -39.85 80.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 2.54 109.62 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.465 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.1 -48.42 80.25 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.234 -0.917 . . . . 4.1100000000000003 109.803 -179.696 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 329' ' ' THR . 19.4 t80 -55.27 -59.97 4.04 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.387 -0.821 . . . . 0.56999999999999995 109.816 -179.691 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.49 -34.19 24.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.308 -0.87 . . . . 1.6599999999999999 110.039 -179.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -64.16 -51.58 63.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.093 -1.005 . . . . 1.29 110.256 -179.306 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.454 ' CB ' HD12 ' C' ' 332' ' ' ILE . 34.5 m-85 -61.56 -54.65 40.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.235 -0.916 . . . . 0.40000000000000002 109.354 -179.677 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.0 -34.0 19.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.375 -0.828 . . . . 3.8500000000000001 109.472 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.88 -51.38 69.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.16 -0.963 . . . . 1.78 109.711 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.11 -34.43 74.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 1.1699999999999999 109.037 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.09 -53.94 52.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.502 -0.748 . . . . 1.2 109.529 179.738 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.64 -31.16 72.25 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.347 -0.845 . . . . 2.1200000000000001 109.897 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.72 29.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.924 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.01 -43.66 98.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.42 -0.8 . . . . 1.1399999999999999 109.584 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.43 -33.3 71.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 2.0899999999999999 109.507 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.13 -44.4 88.79 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 1.3799999999999999 109.311 179.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -48.88 78.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.512 -0.743 . . . . 2.6800000000000002 109.03 179.767 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.64 -33.37 66.25 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.496 -0.752 . . . . 1.3400000000000001 109.682 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.67 82.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 1.3 109.747 -179.661 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -82.26 -8.84 59.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.189 -0.944 . . . . 1.8 109.703 -179.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.23 -22.67 61.21 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 1.47 109.146 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.84 17.12 37.85 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.738 -1.345 . . . . 1.6599999999999999 109.738 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -85.17 138.65 32.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.091 -1.241 . . . . 4.7800000000000002 109.597 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -49.84 123.37 15.04 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.333 -0.854 . . . . 6.1900000000000004 109.598 -179.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.86 133.89 47.17 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.003 1.802 . . . . 6.1799999999999997 110.14 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.964 -1.464 . . . . 6.9000000000000004 109.553 179.828 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.438 -0.578 . . . . 7.6900000000000004 109.438 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.5 33.32 20.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 7.4500000000000002 109.636 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 35.3 mttm 58.49 84.75 0.2 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.244 -0.91 . . . . 6.8399999999999999 109.717 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.65 -1.04 6.84 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.142 1.895 . . . . 5.1200000000000001 110.864 179.849 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.24 46.61 1.31 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.962 -1.086 . . . . 4.6600000000000001 109.687 179.994 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -81.13 -79.58 0.16 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.314 -0.866 . . . . 2.46 109.907 -179.765 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.84 145.74 43.89 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.903 -1.279 . . . . 1.0800000000000001 109.903 -179.668 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.56 138.21 58.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.442 -1.034 . . . . 1.6699999999999999 109.552 179.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -95.95 160.73 14.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 1.01 109.59 179.942 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -137.75 -169.53 2.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.161 -0.962 . . . . 0.63 109.498 179.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 22.0 p -154.16 154.6 33.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 1.1299999999999999 109.509 -179.854 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.4 tp -146.92 133.94 20.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.22 -0.925 . . . . 1.1000000000000001 109.628 -179.836 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 28.5 tt0 -86.62 129.38 34.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.856 . . . . 1.3700000000000001 109.714 -179.743 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CB ' ' D' ' 341' ' ' PHE . 31.1 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.859 . . . . 1.1499999999999999 109.381 179.615 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 1.9 ttt-85 -73.42 153.71 40.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.273 -0.892 . . . . 2.77 109.709 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.63 133.23 6.26 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.828 -1.309 . . . . 0.42999999999999999 109.828 179.703 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -68.46 -57.69 5.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -1.103 . . . . 3.1200000000000001 109.571 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.25 -40.01 80.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.413 -0.804 . . . . 2.2200000000000002 109.621 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.447 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.287 -0.883 . . . . 3.5 109.9 -179.63 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 19.3 t80 -55.16 -60.02 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.488 -0.758 . . . . 0.5 109.878 -179.808 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.56 -34.22 24.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 1.6899999999999999 109.939 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.17 -51.42 63.88 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.107 -0.996 . . . . 1.1399999999999999 110.296 -179.328 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.448 ' CB ' HD12 ' D' ' 332' ' ' ILE . 34.5 m-85 -61.59 -54.72 39.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 0.32000000000000001 109.323 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -49.95 -34.0 19.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 2.96 109.573 179.854 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.85 -51.39 69.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.063 -1.023 . . . . 1.75 109.778 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.05 -34.38 74.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 1.0800000000000001 109.156 179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -59.12 -53.9 53.11 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.354 -0.841 . . . . 1.22 109.648 179.642 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.68 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.826 . . . . 1.73 109.937 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.16 -55.86 27.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.854 -179.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.99 -43.48 98.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.376 -0.827 . . . . 1.1100000000000001 109.669 -179.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.44 -33.34 71.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 1.9099999999999999 109.432 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.11 -44.49 88.58 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 1.1699999999999999 109.273 179.875 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.739 . . . . 2.1499999999999999 109.113 179.755 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.62 -33.35 66.19 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.59 -0.694 . . . . 1.4399999999999999 109.719 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.61 82.61 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.3 109.681 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.25 -9.0 59.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.3999999999999999 109.613 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.17 -22.61 61.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 1.6000000000000001 109.174 179.794 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.85 17.18 37.58 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.782 -1.327 . . . . 1.5 109.782 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -85.21 138.71 32.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -1.194 . . . . 4.5499999999999998 109.549 -179.823 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -49.84 123.28 14.91 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 5.6699999999999999 109.523 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.74 133.81 47.13 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.935 1.757 . . . . 6.1200000000000001 110.217 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 117.946 -1.474 . . . . 7.2699999999999996 109.529 179.839 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.445 -0.576 . . . . 7.6600000000000001 109.445 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 321' ' ' LYS . 18.0 mtpt 61.44 22.07 12.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 7.5099999999999998 109.553 179.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 6.1 mtmt 60.16 84.33 0.2 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.254 -0.904 . . . . 6.8099999999999996 109.492 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.63 144.24 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.137 1.891 . . . . 5.1500000000000004 110.064 179.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.8 mt -80.51 106.69 12.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.15 -0.969 . . . . 4.7000000000000002 109.549 -179.767 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.42 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 5.5 m-20 -81.0 -164.78 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.411 -0.806 . . . . 2.48 109.561 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.57 174.97 34.44 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.493 -1.443 . . . . 1.0800000000000001 109.493 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.85 135.51 57.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.208 -1.172 . . . . 1.7 109.264 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 42.3 m-85 -93.07 160.33 14.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 1.04 109.559 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 99.6 m-85 -137.1 -168.1 2.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 0.65000000000000002 109.389 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.6 p -155.35 151.84 28.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 1.1399999999999999 109.487 -179.873 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.24 131.42 17.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.226 -0.921 . . . . 1.0900000000000001 109.47 -179.626 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.9 tt0 -86.67 134.01 33.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.89 . . . . 1.3700000000000001 109.726 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 341' ' ' PHE . 37.8 mt -124.15 115.15 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 1.1499999999999999 109.359 179.563 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.92 44.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 2.79 109.731 179.9 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.57 135.04 8.51 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.868 -1.293 . . . . 0.45000000000000001 109.868 179.639 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 39.8 ttm180 -71.06 -56.94 5.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.458 -1.025 . . . . 3.1600000000000001 109.569 179.877 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.31 -39.54 79.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -0.864 . . . . 2.2200000000000002 109.577 -179.894 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.478 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.73 -46.36 84.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.128 -0.983 . . . . 3.54 109.904 -179.579 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.8 t80 -55.23 -59.13 5.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.5 109.713 -179.73 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.24 -35.9 39.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 1.6599999999999999 110.05 -179.571 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.22 -49.96 72.12 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.23 -0.919 . . . . 1.1499999999999999 110.35 -179.036 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.502 ' CB ' HD12 ' A' ' 332' ' ' ILE . 27.0 m-85 -62.4 -51.6 66.93 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.103 -0.998 . . . . 0.34000000000000002 109.338 -179.648 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -50.22 -36.33 30.36 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.9399999999999999 109.776 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.91 -50.13 74.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.032 -1.042 . . . . 1.74 109.638 -179.695 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.7 -33.16 73.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.231 -0.918 . . . . 1.0700000000000001 108.995 179.853 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.62 -55.6 32.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 1.22 109.671 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.59 -31.8 73.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 1.72 110.122 -179.422 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -57.55 12.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.109 -0.994 . . . . 1.0700000000000001 110.025 -179.605 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.72 -41.36 95.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 1.0800000000000001 109.642 -179.435 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.42 -34.49 74.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.735 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.2 tt -65.7 -46.5 78.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 1.1499999999999999 109.476 -179.485 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.2 -40.08 92.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 2.1400000000000001 108.945 179.694 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.42 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 1.7 m-20 -56.59 -32.49 65.28 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.602 -0.686 . . . . 1.4299999999999999 109.747 179.8 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.66 -53.33 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 1.3 109.556 -179.763 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.47 4.22 18.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 1.4199999999999999 109.679 179.841 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -71.27 -80.33 0.06 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.161 -0.962 . . . . 1.5800000000000001 110.199 -179.615 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.21 10.37 35.36 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.292 -0.956 . . . . 1.54 110.777 -178.917 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 47.4 tttt -87.19 95.44 9.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.355 . . . . 4.5499999999999998 109.581 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.33 130.17 42.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.342 -0.849 . . . . 5.71 109.393 -179.991 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.9 122.79 11.48 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 121.965 1.777 . . . . 6.0899999999999999 110.202 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 118.013 -1.437 . . . . 7.2400000000000002 109.546 179.912 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.476 -0.564 . . . . 7.6699999999999999 109.476 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 17.9 mtpt 61.31 22.15 12.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.325 -0.859 . . . . 7.46 109.58 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 6.1 mtmt 60.13 84.31 0.2 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 6.79 109.435 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.62 144.23 99.51 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.17 1.913 . . . . 5.1500000000000004 110.103 179.775 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.54 106.78 12.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.113 -0.992 . . . . 4.6600000000000001 109.681 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 5.5 m-20 -81.01 -164.52 0.75 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.4700000000000002 109.578 -179.919 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.87 175.0 35.47 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.447 -1.461 . . . . 1.0600000000000001 109.447 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.67 135.45 57.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.183 -1.187 . . . . 1.6100000000000001 109.317 179.83 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.416 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 41.8 m-85 -93.1 160.18 14.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.199 -0.938 . . . . 0.96999999999999997 109.511 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 99.5 m-85 -137.08 -168.37 2.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.59999999999999998 109.429 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -155.1 151.89 28.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -0.958 . . . . 1.1000000000000001 109.547 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -147.14 131.67 17.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 1.1000000000000001 109.507 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.8 tt0 -86.99 133.82 33.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 1.3600000000000001 109.653 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' B' ' 341' ' ' PHE . 37.7 mt -124.04 115.33 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 1.1699999999999999 109.361 179.586 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 145.93 43.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.169 -0.957 . . . . 2.79 109.587 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.84 8.43 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.887 -1.285 . . . . 0.47999999999999998 109.887 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.479 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 39.9 ttm180 -70.95 -56.97 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 3.2200000000000002 109.571 179.869 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.18 -39.57 79.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 2.21 109.677 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.69 -46.32 84.47 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.33 -0.856 . . . . 3.5499999999999998 109.942 -179.566 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.8 t80 -55.29 -59.11 5.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.37 -0.831 . . . . 0.52000000000000002 109.702 -179.718 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.32 -35.84 39.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 1.6799999999999999 110.038 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.2 -50.08 71.71 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.298 -179.075 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' B' ' 332' ' ' ILE . 27.2 m-85 -62.38 -51.48 67.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.072 . . . . 0.33000000000000002 109.409 -179.646 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.21 -36.53 31.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.38 -0.825 . . . . 3.02 109.742 179.922 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.82 -50.11 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.077 -1.014 . . . . 1.75 109.665 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.76 -33.16 73.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 108.997 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.49 -55.72 31.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -0.8 . . . . 1.21 109.616 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.57 -31.6 72.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -0.835 . . . . 1.6899999999999999 110.131 -179.373 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.32 -57.46 12.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 1.0600000000000001 110.054 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.8 -41.23 95.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 1.0800000000000001 109.649 -179.465 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.48 -34.52 74.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.9299999999999999 109.706 -179.965 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.2 tt -65.67 -46.47 78.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.921 . . . . 1.1399999999999999 109.533 -179.514 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.22 -40.0 92.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 2.1899999999999999 108.976 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.415 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 1.7 m-20 -56.63 -32.6 65.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.684 -0.635 . . . . 1.4299999999999999 109.606 179.835 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.56 -53.36 35.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 1.3100000000000001 109.637 -179.799 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.38 3.97 19.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.314 -0.866 . . . . 1.3999999999999999 109.623 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -71.05 -80.35 0.06 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.5700000000000001 110.289 -179.618 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.2 10.37 35.3 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 120.245 -0.978 . . . . 1.53 110.804 -178.945 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 47.3 tttt -87.17 95.35 9.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.8 -1.412 . . . . 4.5800000000000001 109.566 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.26 130.07 41.94 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.321 -0.862 . . . . 5.6799999999999997 109.506 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.9 122.75 11.43 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.948 1.765 . . . . 6.0499999999999998 110.18 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.984 -1.453 . . . . 7.2000000000000002 109.583 179.952 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.254 0.55 . . . . 9.2200000000000006 109.524 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 17.9 mtpt 61.36 22.19 12.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.283 -0.886 . . . . 8.5099999999999998 109.517 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 6.1 mtmt 60.15 84.28 0.2 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.315 -0.865 . . . . 7.4199999999999999 109.483 179.934 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.57 144.26 99.51 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.157 1.905 . . . . 5.0499999999999998 110.027 179.841 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.5 106.71 12.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.119 -0.988 . . . . 5.1399999999999997 109.602 -179.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.43 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 5.5 m-20 -81.07 -164.67 0.78 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 2.8500000000000001 109.648 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 174.9 34.61 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.488 -1.445 . . . . 1.27 109.488 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -58.69 135.51 57.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -1.129 . . . . 2.1099999999999999 109.298 179.764 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.43 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 42.8 m-85 -93.18 160.35 14.88 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.121 -0.987 . . . . 1.01 109.499 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 99.6 m-85 -137.1 -168.18 2.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.57999999999999996 109.302 -179.905 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.7 p -155.35 151.78 28.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 1.1599999999999999 109.526 -179.923 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.1 131.4 17.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 1.1699999999999999 109.484 -179.585 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.9 tt0 -86.63 133.99 33.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.8100000000000001 109.733 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' C' ' 341' ' ' PHE . 37.3 mt -124.2 115.21 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 1.1299999999999999 109.413 179.517 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 145.89 44.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 2.8199999999999998 109.65 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.95 8.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.89 -1.284 . . . . 0.45000000000000001 109.89 179.568 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 39.9 ttm180 -71.11 -56.86 5.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -1.045 . . . . 3.0800000000000001 109.505 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.19 -39.67 79.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 2.54 109.632 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.74 -46.33 84.6 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.312 -0.868 . . . . 4.1100000000000003 109.889 -179.474 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.8 t80 -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.347 -0.846 . . . . 0.56999999999999995 109.723 -179.782 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.37 -35.82 40.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.898 . . . . 1.6599999999999999 110.059 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.16 -50.05 71.9 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.258 -0.901 . . . . 1.29 110.318 -179.083 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' C' ' 332' ' ' ILE . 27.1 m-85 -62.44 -51.45 67.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.082 -1.011 . . . . 0.40000000000000002 109.359 -179.611 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.31 -36.32 31.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 3.8500000000000001 109.805 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.04 -49.88 75.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.045 -1.035 . . . . 1.78 109.637 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.05 -32.97 73.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.9 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.66 -55.6 32.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 1.2 109.648 179.7 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.65 -31.55 72.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 110.094 -179.386 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.46 -57.49 11.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.175 -0.953 . . . . 1.0700000000000001 109.894 -179.501 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.57 -41.55 94.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 1.1399999999999999 109.607 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.35 -34.59 74.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 2.0899999999999999 109.759 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.433 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.2 tt -65.58 -46.49 79.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 1.3799999999999999 109.54 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.24 -39.96 92.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 2.6800000000000002 108.987 179.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.426 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 1.7 m-20 -56.67 -32.48 65.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 1.3400000000000001 109.65 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.66 -53.37 34.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 1.3 109.553 -179.725 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.41 4.1 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 1.8 109.686 179.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -71.11 -80.45 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 1.47 110.114 -179.553 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.22 10.42 35.19 Favored Glycine 0 N--CA 1.493 2.455 0 C-N-CA 120.217 -0.992 . . . . 1.6599999999999999 110.822 -178.843 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 47.6 tttt -87.25 95.46 9.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.786 -1.42 . . . . 4.7800000000000002 109.489 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.32 130.26 42.57 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 6.1900000000000004 109.449 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.98 122.74 11.39 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.908 1.738 . . . . 6.1799999999999997 110.217 179.79 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 CA-C-O 117.953 -1.471 . . . . 6.9000000000000004 109.611 179.934 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.37 0.605 . . . . 7.6900000000000004 109.424 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 17.8 mtpt 61.3 22.18 12.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 7.4500000000000002 109.547 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 6.0 mtmt 60.19 84.28 0.2 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 6.8399999999999999 109.473 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.65 144.17 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.152 1.901 . . . . 5.1200000000000001 110.048 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.36 106.61 12.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 4.6600000000000001 109.597 -179.818 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.426 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.4 m-20 -80.93 -164.67 0.77 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.441 -0.787 . . . . 2.46 109.584 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.66 175.05 34.64 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.459 -1.456 . . . . 1.0800000000000001 109.459 179.808 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.83 135.53 57.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -1.135 . . . . 1.6699999999999999 109.238 179.854 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 41.6 m-85 -93.08 160.32 14.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 1.01 109.552 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 99.6 m-85 -137.21 -168.37 2.28 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.63 109.407 -179.967 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.569 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.8 p -155.32 151.33 27.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 1.1299999999999999 109.529 -179.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.75 131.65 18.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.196 -0.94 . . . . 1.1000000000000001 109.446 -179.622 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -86.86 133.85 33.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.604 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.513 HD12 ' CB ' ' D' ' 341' ' ' PHE . 37.5 mt -123.98 115.41 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 1.1499999999999999 109.424 179.48 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 145.85 43.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.175 -0.953 . . . . 2.77 109.645 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.41 135.15 8.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.903 -1.279 . . . . 0.42999999999999999 109.903 179.629 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 39.8 ttm180 -70.92 -57.11 4.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -1.124 . . . . 3.1200000000000001 109.595 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.22 -39.57 79.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -0.909 . . . . 2.2200000000000002 109.651 -179.921 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.482 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -46.39 84.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.248 -0.908 . . . . 3.5 109.885 -179.585 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -55.32 -58.93 5.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.5 109.724 -179.66 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.45 -35.86 41.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.396 -0.815 . . . . 1.6899999999999999 110.032 -179.594 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.17 -50.0 72.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.124 -0.985 . . . . 1.1399999999999999 110.354 -179.044 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.513 ' CB ' HD12 ' D' ' 332' ' ' ILE . 27.1 m-85 -62.29 -51.61 67.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.062 -1.024 . . . . 0.32000000000000001 109.397 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -50.19 -36.51 30.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 2.96 109.686 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.94 -49.99 75.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 1.75 109.61 -179.516 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.81 -33.1 73.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 108.965 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.67 -55.68 31.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 1.22 109.577 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.55 -31.52 72.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 1.73 110.173 -179.462 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.49 -57.51 11.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 109.979 -179.528 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.63 -41.37 94.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 1.1100000000000001 109.655 -179.484 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -34.46 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 1.9099999999999999 109.775 179.989 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.2 tt -65.69 -46.51 78.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 1.1699999999999999 109.476 -179.558 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.05 -40.09 92.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 2.1499999999999999 109.049 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.424 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 1.7 m-20 -56.7 -32.49 65.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.631 -0.668 . . . . 1.4399999999999999 109.624 179.906 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.66 -53.34 34.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 1.3 109.572 -179.778 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.31 3.92 19.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -0.885 . . . . 1.3999999999999999 109.705 179.759 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -71.08 -80.32 0.06 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.279 -0.888 . . . . 1.6000000000000001 110.245 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.3 10.39 35.93 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 120.273 -0.965 . . . . 1.5 110.761 -178.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 47.2 tttt -87.11 95.39 9.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.836 -1.391 . . . . 4.5499999999999998 109.574 179.904 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -52.25 130.15 41.84 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.288 -0.883 . . . . 5.6699999999999999 109.42 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.98 122.86 11.56 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.903 1.735 . . . . 6.1200000000000001 110.145 179.745 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 CA-C-O 118.048 -1.418 . . . . 7.2699999999999996 109.561 179.931 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.465 -0.568 . . . . 7.6600000000000001 109.465 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.27 92.57 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 7.5099999999999998 109.421 -179.918 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.498 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.1 OUTLIER 57.85 63.89 4.29 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.913 . . . . 6.8099999999999996 109.367 -179.847 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -67.7 -1.49 6.82 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.275 1.983 . . . . 5.1500000000000004 110.973 -179.804 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 32.1 mt -81.92 94.06 7.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.984 -1.073 . . . . 4.7000000000000002 109.646 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.4 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 5.1 m-20 -83.44 -154.5 0.15 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 2.48 109.254 179.601 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 172.12 35.79 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 1.0800000000000001 109.399 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.9 132.77 54.97 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.228 -1.16 . . . . 1.7 109.623 -179.958 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 10.4 m-85 -93.32 160.51 14.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 1.04 109.428 179.908 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.62 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.9 m-85 -140.31 -173.75 3.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.65000000000000002 109.515 -179.977 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 70.2 p -153.21 157.26 39.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 1.1399999999999999 109.549 -179.72 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.7 tp -148.03 130.9 16.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.941 . . . . 1.0900000000000001 109.414 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.5 tt0 -86.56 131.1 34.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 1.3700000000000001 109.646 -179.736 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mt -123.86 115.36 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 1.1499999999999999 109.548 179.834 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -73.33 147.53 44.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 2.79 109.466 179.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.06 131.6 5.85 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.784 -1.326 . . . . 0.45000000000000001 109.784 179.655 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.467 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 24.4 ttp180 -74.21 -54.03 8.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 3.1600000000000001 109.362 179.846 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.33 -43.66 88.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 109.568 179.899 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -42.8 99.03 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.305 -0.872 . . . . 3.54 109.403 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.9 t80 -55.8 -53.24 59.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.786 . . . . 0.5 109.822 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.85 -36.07 35.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 109.989 -179.688 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.29 -48.8 76.59 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.148 -0.97 . . . . 1.1499999999999999 110.143 -179.463 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.33 -54.79 39.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.187 -0.945 . . . . 0.34000000000000002 109.384 -179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -50.96 -34.55 29.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 2.9399999999999999 109.544 179.84 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.64 -51.12 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.177 -0.952 . . . . 1.74 109.73 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.9 mt -61.65 -34.36 75.57 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.182 -0.949 . . . . 1.0700000000000001 109.062 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.07 -51.58 69.43 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.415 -0.803 . . . . 1.22 109.402 179.543 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.58 74.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 1.72 109.65 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.6 72.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 1.0700000000000001 109.92 -179.762 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.422 ' HB2' ' NH2' ' C' ' 337' ' ' ARG . 70.3 mt -61.78 -45.62 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.739 -179.585 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -35.19 73.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.983 . . . . 1.9099999999999999 109.707 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.518 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 30.5 tp -65.31 -46.05 81.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 1.1499999999999999 109.555 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.41 -38.3 86.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.278 -0.888 . . . . 2.1400000000000001 108.762 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.66 -37.06 70.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.511 -0.743 . . . . 1.4299999999999999 109.345 179.668 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.286 -0.883 . . . . 1.3 109.484 179.887 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.51 -2.78 51.07 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.4199999999999999 109.648 179.896 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.24 64.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 1.5800000000000001 109.359 179.96 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -8.89 79.63 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.46 -1.456 . . . . 1.54 109.46 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -87.27 138.23 31.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.252 -1.146 . . . . 4.5499999999999998 109.363 179.947 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.13 152.02 4.33 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.233 -0.917 . . . . 5.71 109.542 179.993 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.39 -163.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.198 1.932 . . . . 6.0899999999999999 110.25 179.924 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 117.924 -1.487 . . . . 7.2400000000000002 109.56 179.84 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.45 -0.574 . . . . 7.6699999999999999 109.45 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.21 92.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -0.919 . . . . 7.46 109.437 -179.736 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.1 OUTLIER 57.95 63.91 4.22 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.906 . . . . 6.79 109.275 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.8 Cg_endo -67.77 -1.56 7.0 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.27 1.98 . . . . 5.1500000000000004 110.907 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 32.3 mt -81.91 94.12 7.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.886 -1.134 . . . . 4.6600000000000001 109.632 -179.94 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 5.1 m-20 -83.43 -154.64 0.15 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.368 -0.832 . . . . 2.4700000000000002 109.226 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.43 172.2 35.41 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.351 -1.5 . . . . 1.0600000000000001 109.351 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.0 132.75 54.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -1.165 . . . . 1.6100000000000001 109.597 -179.92 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -93.31 160.58 14.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.96999999999999997 109.462 179.878 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.9 m-85 -140.35 -173.79 3.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 0.59999999999999998 109.483 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 71.9 p -153.19 157.4 40.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 1.1000000000000001 109.632 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.7 tp -148.18 130.89 15.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.927 . . . . 1.1000000000000001 109.272 -179.884 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.5 tt0 -86.53 131.23 34.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.3600000000000001 109.632 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.6 mt -123.98 115.41 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 1.1699999999999999 109.569 179.759 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 6.1 ttt180 -73.47 147.65 43.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 2.79 109.587 179.933 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 92.96 131.63 5.83 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.811 -1.315 . . . . 0.47999999999999998 109.811 179.767 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.451 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 24.3 ttp180 -74.22 -53.93 8.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -1.092 . . . . 3.2200000000000002 109.357 179.866 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.41 -43.67 88.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 2.21 109.428 179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.415 ' NH2' ' HB2' ' D' ' 348' ' ' LEU . 0.2 OUTLIER -61.06 -42.59 98.78 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.394 -0.816 . . . . 3.5499999999999998 109.423 -179.95 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.435 ' CE1' ' O ' ' D' ' 329' ' ' THR . 45.0 t80 -55.97 -53.27 58.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.419 -0.8 . . . . 0.52000000000000002 109.741 -179.846 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.78 -36.09 35.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.307 -0.87 . . . . 1.6799999999999999 109.994 -179.693 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.23 -48.83 76.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.137 -0.977 . . . . 1.1499999999999999 110.133 -179.458 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -61.35 -54.77 39.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.957 . . . . 0.33000000000000002 109.408 -179.766 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -50.9 -34.52 28.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.395 -0.816 . . . . 3.02 109.619 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.68 -51.22 70.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 1.75 109.666 -179.849 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.66 -34.21 75.32 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.294 -0.879 . . . . 1.0700000000000001 109.109 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -59.09 -51.7 68.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.21 109.333 179.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.07 -32.67 74.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 1.6899999999999999 109.675 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.64 72.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 1.0600000000000001 109.939 -179.796 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.72 -45.64 93.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 1.0800000000000001 109.773 -179.604 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.54 -35.31 73.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.679 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 30.2 tp -65.24 -46.05 82.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 1.1399999999999999 109.543 -179.781 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.41 -38.36 86.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 2.1899999999999999 108.823 179.796 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.56 -36.98 69.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.416 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.2 78.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.306 -0.871 . . . . 1.3100000000000001 109.41 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -2.84 51.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.3999999999999999 109.61 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.22 64.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.072 -1.017 . . . . 1.5700000000000001 109.311 179.969 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -9.03 79.43 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.363 -1.495 . . . . 1.53 109.363 179.76 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.21 138.14 31.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -1.176 . . . . 4.5800000000000001 109.396 179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.04 151.96 4.21 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 5.6799999999999997 109.54 179.973 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.45 -163.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.195 1.93 . . . . 6.0499999999999998 110.231 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.954 -1.47 . . . . 7.2000000000000002 109.567 179.974 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.278 0.561 . . . . 9.2200000000000006 109.512 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.28 92.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 8.5099999999999998 109.414 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.1 OUTLIER 58.02 63.78 4.24 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 7.4199999999999999 109.337 -179.954 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.8 Cg_endo -67.71 -1.49 6.85 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.24 1.96 . . . . 5.0499999999999998 110.978 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.89 94.03 7.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.937 -1.102 . . . . 5.1399999999999997 109.67 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 5.1 m-20 -83.45 -154.49 0.15 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.507 -0.746 . . . . 2.8500000000000001 109.294 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 172.24 35.59 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.302 -1.519 . . . . 1.27 109.302 179.773 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.07 132.86 55.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -1.143 . . . . 2.1099999999999999 109.588 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.403 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 10.4 m-85 -93.33 160.45 14.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 1.01 109.45 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.9 m-85 -140.26 -173.81 3.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.474 -179.979 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 70.8 p -153.06 157.37 40.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.169 -0.957 . . . . 1.1599999999999999 109.639 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.7 tp -148.05 130.78 16.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.91 . . . . 1.1699999999999999 109.427 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -86.52 131.11 34.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.73 -179.851 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 29.6 mt -123.82 115.41 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.893 . . . . 1.1299999999999999 109.577 179.763 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -73.4 147.5 44.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 2.8199999999999998 109.556 179.843 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.0 131.69 5.87 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.836 -1.305 . . . . 0.45000000000000001 109.836 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.62 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 24.2 ttp180 -74.31 -53.92 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -1.1 . . . . 3.0800000000000001 109.341 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.38 -43.88 88.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.335 -0.853 . . . . 2.54 109.468 179.98 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.422 ' NH2' ' HB2' ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.83 -42.71 98.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.334 -0.854 . . . . 4.1100000000000003 109.439 179.971 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 329' ' ' THR . 45.0 t80 -55.89 -53.26 58.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.484 -0.76 . . . . 0.56999999999999995 109.79 -179.847 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.86 -36.1 36.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 1.6599999999999999 109.928 -179.659 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.23 -48.9 76.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.116 -0.99 . . . . 1.29 110.075 -179.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -61.25 -54.91 38.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.40000000000000002 109.403 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.52 28.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 3.8500000000000001 109.61 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -60.73 -51.05 71.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 1.78 109.71 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.74 -34.26 75.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.048 179.791 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.09 -51.65 69.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.382 -0.824 . . . . 1.2 109.26 179.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.16 -32.57 74.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.85 . . . . 2.1200000000000001 109.612 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.41 -50.52 72.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.899 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.7 -45.78 92.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.206 -0.934 . . . . 1.1399999999999999 109.731 -179.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.47 -35.23 73.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.0899999999999999 109.683 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 30.5 tp -65.24 -46.21 81.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 1.3799999999999999 109.576 -179.817 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.21 -38.43 86.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.407 -0.808 . . . . 2.6800000000000002 108.846 179.802 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.54 -37.01 69.91 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.472 -0.768 . . . . 1.3400000000000001 109.395 179.587 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.16 78.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 1.3 109.368 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.428 ' NE2' ' CD1' ' D' ' 350' ' ' LEU . 0.4 OUTLIER -81.54 -2.77 51.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 1.8 109.643 -179.933 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.17 -27.34 64.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.194 -0.941 . . . . 1.47 109.334 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -8.98 79.9 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.471 -1.452 . . . . 1.6599999999999999 109.471 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.19 138.08 31.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -1.134 . . . . 4.7800000000000002 109.455 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.12 151.93 4.39 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 6.1900000000000004 109.541 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.46 -163.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.228 1.952 . . . . 6.1799999999999997 110.216 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 117.975 -1.459 . . . . 6.9000000000000004 109.586 -179.987 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.525 -0.546 . . . . 7.6900000000000004 109.525 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.34 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 7.4500000000000002 109.43 -179.83 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.491 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.1 OUTLIER 57.92 63.9 4.24 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 6.8399999999999999 109.309 -179.918 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.8 Cg_endo -67.84 -1.48 6.93 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.227 1.951 . . . . 5.1200000000000001 110.926 -179.802 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 31.8 mt -81.85 93.99 6.98 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.979 -1.076 . . . . 4.6600000000000001 109.712 -179.973 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.407 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.1 m-20 -83.42 -154.44 0.15 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.47 -0.769 . . . . 2.46 109.27 179.699 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.53 172.23 35.73 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.334 -1.506 . . . . 1.0800000000000001 109.334 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.06 132.83 55.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.219 -1.166 . . . . 1.6699999999999999 109.64 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 10.7 m-85 -93.3 160.59 14.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 1.01 109.419 179.934 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.451 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.9 m-85 -140.4 -173.75 3.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.63 109.438 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.435 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 69.3 p -153.17 157.39 40.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.253 -0.905 . . . . 1.1299999999999999 109.575 -179.666 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.7 tp -148.18 130.9 15.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.375 -0.828 . . . . 1.1000000000000001 109.37 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 5.5 tt0 -86.65 131.33 34.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.599 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mt -124.0 115.43 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 1.1499999999999999 109.446 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 6.0 ttt180 -73.42 147.58 44.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 2.77 109.469 179.901 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 93.0 131.6 5.83 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.803 -1.319 . . . . 0.42999999999999999 109.803 179.676 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 24.4 ttp180 -74.19 -53.92 8.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -1.121 . . . . 3.1200000000000001 109.41 179.806 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.44 -43.76 88.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 2.2200000000000002 109.463 179.988 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -42.68 98.44 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.278 -0.889 . . . . 3.5 109.434 179.953 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' B' ' 329' ' ' THR . 45.2 t80 -55.84 -53.32 58.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.5 109.718 -179.838 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -50.92 -36.07 36.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.881 -179.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.15 -48.97 76.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.195 -0.941 . . . . 1.1399999999999999 110.119 -179.444 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.2 -54.83 39.31 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.126 -0.984 . . . . 0.32000000000000001 109.446 -179.793 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.53 28.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 2.96 109.603 179.835 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.7 -51.27 70.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 1.75 109.652 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 60.6 mt -61.58 -34.31 75.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.247 -0.908 . . . . 1.0800000000000001 109.104 179.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.06 -51.68 69.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.384 -0.823 . . . . 1.22 109.315 179.623 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.14 -32.63 74.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.821 . . . . 1.73 109.613 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.56 72.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 1.0700000000000001 109.945 -179.733 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.415 ' HB2' ' NH2' ' B' ' 337' ' ' ARG . 70.2 mt -61.77 -45.67 92.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 1.1100000000000001 109.731 -179.698 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.51 -35.3 73.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 1.9099999999999999 109.635 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.491 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 30.7 tp -65.23 -46.1 81.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.814 . . . . 1.1699999999999999 109.582 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.27 -38.34 86.37 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.37 -0.831 . . . . 2.1499999999999999 108.876 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.61 -36.97 70.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.488 -0.757 . . . . 1.4399999999999999 109.43 179.54 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.13 78.44 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 1.3 109.478 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.449 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 0.4 OUTLIER -81.62 -2.7 51.14 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 1.3999999999999999 109.641 -179.972 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -27.3 64.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.075 -1.016 . . . . 1.6000000000000001 109.333 179.882 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -9.03 79.51 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.387 -1.485 . . . . 1.5 109.387 179.817 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.22 138.16 31.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -1.119 . . . . 4.5499999999999998 109.352 179.983 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.11 151.98 4.33 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.891 . . . . 5.6699999999999999 109.487 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.42 -163.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.179 1.92 . . . . 6.1200000000000001 110.192 179.935 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.028 -1.429 . . . . 7.2699999999999996 109.533 179.889 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.443 -0.577 . . . . 7.6600000000000001 109.443 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.5 mttp 60.69 94.34 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.899 . . . . 7.5099999999999998 109.464 -179.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 57.16 60.78 6.87 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 6.8099999999999996 109.488 -179.967 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -64.27 81.06 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.369 2.046 . . . . 5.1500000000000004 110.662 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.79 108.84 16.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.932 . . . . 4.7000000000000002 109.17 179.473 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.08 96.57 7.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.108 -0.995 . . . . 2.48 109.917 -179.737 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.561 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -74.11 150.4 42.36 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.353 -1.499 . . . . 1.0800000000000001 109.353 179.262 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.78 121.36 12.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.196 -1.179 . . . . 1.7 109.237 179.409 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 71.3 m-85 -95.51 146.34 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.14 -0.975 . . . . 1.04 109.775 179.937 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.8 m-85 -137.62 -173.19 3.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.205 -0.934 . . . . 0.65000000000000002 109.376 179.926 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.9 p -152.55 164.77 36.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 1.1399999999999999 109.255 -179.941 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.28 131.95 16.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 1.0900000000000001 109.62 -179.68 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.46 127.79 34.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.342 -0.849 . . . . 1.3700000000000001 109.132 179.755 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 40.0 mt -123.53 109.54 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.141 -0.975 . . . . 1.1499999999999999 109.879 -179.841 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.521 ' CZ ' ' HA3' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -74.57 129.28 37.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.436 -0.79 . . . . 2.79 109.136 179.614 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.446 ' HA2' ' NH2' ' A' ' 333' ' ' ARG . . . 116.72 129.86 4.39 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.583 -1.407 . . . . 0.45000000000000001 109.583 -179.966 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -76.82 -57.58 3.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -1.172 . . . . 3.1600000000000001 109.423 179.906 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.54 -44.36 89.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 109.323 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -44.07 95.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.325 -0.859 . . . . 3.54 109.405 179.996 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 62.7 t80 -55.62 -53.23 59.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.5 109.749 -179.873 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.44 -37.21 36.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 110.035 -179.628 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.71 81.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.148 -0.97 . . . . 1.1499999999999999 110.143 -179.514 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.02 -53.54 55.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.34000000000000002 109.283 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.91 -35.57 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.854 . . . . 2.9399999999999999 109.546 179.763 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.14 -51.14 70.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.74 109.952 -179.644 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 109.019 -179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.14 -53.65 55.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.468 -0.77 . . . . 1.22 109.448 179.586 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.99 -31.79 73.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.72 110.023 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.76 -54.14 48.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 110.006 -179.704 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.07 -41.27 96.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 1.0800000000000001 109.567 -179.745 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.42 -34.99 74.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.9099999999999999 109.447 179.868 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.01 -46.66 80.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.349 -0.844 . . . . 1.1499999999999999 109.521 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . 9.9 ttmm -61.2 -40.97 95.94 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.911 -0.774 . . . . 2.1400000000000001 108.911 179.813 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -31.13 67.22 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.613 -0.679 . . . . 1.4299999999999999 109.574 179.661 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.77 81.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 1.3 109.616 -179.673 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.35 -9.72 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 1.4199999999999999 109.419 179.914 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.91 -50.72 21.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 1.5800000000000001 109.453 179.729 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.08 13.82 52.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.892 -1.283 . . . . 1.54 109.892 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.22 124.35 31.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.238 . . . . 4.5499999999999998 109.34 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.55 111.54 1.89 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 5.71 109.716 -179.762 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.1 153.51 63.97 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.004 1.803 . . . . 6.0899999999999999 110.236 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.039 -1.423 . . . . 7.2400000000000002 109.579 179.98 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.429 -0.582 . . . . 7.6699999999999999 109.429 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.78 94.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 7.46 109.453 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.522 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 57.23 60.78 6.79 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 6.79 109.484 -179.983 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -64.32 81.09 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.354 2.036 . . . . 5.1500000000000004 110.683 -179.822 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 53.7 mt -82.85 108.85 16.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.028 -1.045 . . . . 4.6600000000000001 109.181 179.507 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.09 97.14 8.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 2.4700000000000002 109.747 -179.696 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.571 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -75.41 150.43 40.23 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.062 -1.615 . . . . 1.0600000000000001 109.062 179.558 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.65 121.47 12.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -1.169 . . . . 1.6100000000000001 109.219 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 71.4 m-85 -95.63 146.3 24.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.164 -0.96 . . . . 0.96999999999999997 109.713 -179.957 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -137.64 -173.29 3.45 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.213 -0.929 . . . . 0.59999999999999998 109.408 179.876 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -152.51 164.71 37.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.132 -0.98 . . . . 1.1000000000000001 109.305 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.15 132.05 17.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.23 -0.919 . . . . 1.1000000000000001 109.635 -179.639 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.54 127.76 34.54 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 1.3600000000000001 109.083 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.9 mt -123.47 109.5 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.13 -0.982 . . . . 1.1699999999999999 109.889 -179.834 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.492 ' CZ ' ' HA3' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -74.51 129.18 37.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.354 -0.841 . . . . 2.79 109.12 179.596 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.442 ' HA2' ' NH2' ' B' ' 333' ' ' ARG . . . 116.69 129.98 4.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.555 -1.418 . . . . 0.47999999999999998 109.555 179.934 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.548 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -76.88 -57.56 3.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -1.137 . . . . 3.2200000000000002 109.36 179.996 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.57 -44.29 89.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 2.21 109.355 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -44.0 96.24 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.268 -0.895 . . . . 3.5499999999999998 109.465 179.931 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' O ' ' D' ' 329' ' ' THR . 62.1 t80 -55.77 -53.11 60.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.333 -0.854 . . . . 0.52000000000000002 109.71 -179.859 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.57 -37.21 38.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 1.6799999999999999 109.894 -179.548 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.67 82.08 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.027 -1.046 . . . . 1.1499999999999999 110.097 -179.487 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.03 -53.55 55.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.15 -0.968 . . . . 0.33000000000000002 109.306 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.96 -35.51 33.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.842 . . . . 3.02 109.521 179.773 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.14 -51.12 70.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 1.75 110.005 -179.685 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.77 -34.98 75.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.927 . . . . 1.0700000000000001 109.073 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.2 -53.63 56.12 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.793 . . . . 1.21 109.485 179.643 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.93 -31.84 73.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.499 -0.75 . . . . 1.6899999999999999 110.013 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.18 48.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 1.0600000000000001 109.938 -179.57 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.04 -41.36 96.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.251 -0.906 . . . . 1.0800000000000001 109.509 -179.662 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.22 -35.07 74.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 1.9299999999999999 109.463 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.07 -46.57 80.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.379 -0.825 . . . . 1.1399999999999999 109.505 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -61.23 -41.02 96.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.832 . . . . 2.1899999999999999 108.878 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -31.06 66.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.613 -0.679 . . . . 1.4299999999999999 109.668 179.642 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -45.7 81.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 1.3100000000000001 109.557 -179.679 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.42 -9.65 59.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 1.3999999999999999 109.429 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.91 -50.69 22.1 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.367 -0.833 . . . . 1.5700000000000001 109.474 179.684 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.11 13.83 52.54 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.843 -1.303 . . . . 1.53 109.843 -179.81 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.37 124.4 31.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.074 -1.251 . . . . 4.5800000000000001 109.261 179.956 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.49 111.36 1.8 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 5.6799999999999997 109.763 -179.8 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.96 153.43 63.78 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.186 1.924 . . . . 6.0499999999999998 110.229 179.847 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.019 -1.434 . . . . 7.2000000000000002 109.535 179.917 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.467 -0.568 . . . . 9.2200000000000006 109.467 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.75 94.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 8.5099999999999998 109.434 179.989 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 57.16 60.9 6.8 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 7.4199999999999999 109.469 -179.973 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -64.51 81.11 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.355 2.037 . . . . 5.0499999999999998 110.631 -179.791 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 52.9 mt -82.82 108.93 16.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.054 -1.029 . . . . 5.1399999999999997 109.12 179.509 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.04 96.73 7.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.157 -0.965 . . . . 2.8500000000000001 109.882 -179.81 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -74.59 150.41 41.58 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.351 -1.5 . . . . 1.27 109.351 179.277 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -60.78 121.49 12.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -1.182 . . . . 2.1099999999999999 109.208 179.659 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 72.1 m-85 -95.65 146.42 24.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.965 . . . . 1.01 109.586 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -137.73 -173.22 3.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.248 -0.907 . . . . 0.57999999999999996 109.332 179.885 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.0 p -152.52 164.72 37.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 1.1599999999999999 109.218 -179.872 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.21 131.99 16.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.939 . . . . 1.1699999999999999 109.672 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.55 127.81 34.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.327 -0.858 . . . . 1.8100000000000001 109.1 179.771 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 40.9 mt -123.56 109.53 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 1.1299999999999999 109.855 -179.804 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.495 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -74.51 129.25 37.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 2.8199999999999998 109.209 179.633 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.447 ' HA2' ' NH2' ' C' ' 333' ' ' ARG . . . 116.72 129.88 4.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.668 -1.373 . . . . 0.45000000000000001 109.668 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -76.95 -57.47 3.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -1.142 . . . . 3.0800000000000001 109.386 -179.988 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.53 -44.4 89.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 2.54 109.314 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.12 95.95 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.36 -0.838 . . . . 4.1100000000000003 109.321 -179.937 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 329' ' ' THR . 62.1 t80 -55.66 -53.23 59.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.391 -0.818 . . . . 0.56999999999999995 109.719 -179.783 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.34 -37.31 36.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.6599999999999999 110.024 -179.675 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.08 -47.55 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.029 -1.044 . . . . 1.29 110.082 -179.43 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.15 -53.54 55.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.40000000000000002 109.197 -179.839 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.97 -35.53 34.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.334 -0.854 . . . . 3.8500000000000001 109.502 179.792 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.16 -51.15 70.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.158 -0.964 . . . . 1.78 109.868 -179.645 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.88 -34.95 75.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.068 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.07 -53.67 55.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.394 -0.816 . . . . 1.2 109.47 179.508 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.95 -31.84 73.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -0.839 . . . . 2.1200000000000001 109.982 -179.677 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.11 49.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 1.0700000000000001 110.024 -179.641 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.1 -41.31 96.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 109.538 -179.725 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.17 -35.15 74.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 2.0899999999999999 109.538 179.775 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.06 -46.66 80.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 1.3799999999999999 109.484 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.17 -40.87 95.52 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.439 -0.788 . . . . 2.6800000000000002 108.998 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -31.09 67.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.602 -0.686 . . . . 1.3400000000000001 109.603 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.84 81.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 1.3 109.563 -179.655 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.37 -9.66 59.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.8 109.419 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.82 21.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -0.871 . . . . 1.47 109.367 179.712 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 13.71 52.85 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.86 -1.296 . . . . 1.6599999999999999 109.86 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.2 124.47 31.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.183 -1.186 . . . . 4.7800000000000002 109.277 179.904 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.58 111.48 1.87 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 6.1900000000000004 109.746 -179.799 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.04 153.49 63.79 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.087 1.858 . . . . 6.1799999999999997 110.255 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.975 -1.458 . . . . 6.9000000000000004 109.542 179.919 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.451 -0.574 . . . . 7.6900000000000004 109.451 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.69 94.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 7.4500000000000002 109.456 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 57.23 60.83 6.77 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 6.8399999999999999 109.506 -179.981 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -64.39 81.13 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.355 2.037 . . . . 5.1200000000000001 110.585 -179.768 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 52.8 mt -82.85 108.97 16.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.018 . . . . 4.6600000000000001 109.102 179.436 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.16 96.8 7.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.15 -0.969 . . . . 2.46 109.808 -179.766 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.574 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -74.7 150.43 41.42 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.345 -1.502 . . . . 1.0800000000000001 109.345 179.283 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -60.82 121.41 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.163 -1.198 . . . . 1.6699999999999999 109.281 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 71.3 m-85 -95.4 146.25 24.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -0.976 . . . . 1.01 109.757 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -137.6 -173.21 3.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.63 109.38 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.512 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.0 p -152.56 164.67 37.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.198 -0.938 . . . . 1.1299999999999999 109.294 -179.902 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.21 132.05 17.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 1.1000000000000001 109.581 -179.664 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.55 127.75 34.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.3700000000000001 109.079 179.797 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.5 mt -123.51 109.46 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.214 -0.929 . . . . 1.1499999999999999 109.814 -179.736 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.468 ' CZ ' ' HA3' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -74.49 129.23 37.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.77 109.158 179.592 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.445 ' HA2' ' NH2' ' D' ' 333' ' ' ARG . . . 116.7 129.9 4.4 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.68 -1.368 . . . . 0.42999999999999999 109.68 -179.975 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -76.87 -57.61 3.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -1.15 . . . . 3.1200000000000001 109.397 -179.971 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.5 -44.45 89.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 2.2200000000000002 109.275 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.04 95.93 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.403 -0.811 . . . . 3.5 109.451 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' B' ' 329' ' ' THR . 62.3 t80 -55.65 -53.21 59.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.376 -0.828 . . . . 0.5 109.697 -179.88 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.47 -37.26 37.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 1.6899999999999999 109.997 -179.615 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -62.94 -47.73 81.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.175 -0.953 . . . . 1.1399999999999999 110.108 -179.523 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.04 -53.54 55.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.224 -0.922 . . . . 0.32000000000000001 109.258 -179.853 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.89 -35.62 33.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 2.96 109.558 179.707 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.09 -51.14 70.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 1.75 109.906 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -35.01 75.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.131 -0.98 . . . . 1.0800000000000001 108.992 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.08 -53.64 56.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.817 . . . . 1.22 109.529 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.92 -31.9 73.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.451 -0.781 . . . . 1.73 109.996 -179.763 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.74 -54.22 47.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 1.0700000000000001 109.949 -179.605 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.99 -41.3 96.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.907 . . . . 1.1100000000000001 109.594 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.24 -35.03 74.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.328 -0.858 . . . . 1.9099999999999999 109.525 179.779 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.12 -46.63 80.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.288 -0.883 . . . . 1.1699999999999999 109.434 -179.87 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.16 -41.0 95.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.327 -0.858 . . . . 2.1499999999999999 108.915 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -31.09 67.27 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.687 -0.633 . . . . 1.4399999999999999 109.576 179.7 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.91 81.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 1.3 109.587 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.31 -9.77 59.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.3999999999999999 109.396 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.84 -50.77 21.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 1.6000000000000001 109.401 179.749 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 13.76 52.76 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.852 -1.299 . . . . 1.5 109.852 -179.786 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.19 124.43 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.104 -1.233 . . . . 4.5499999999999998 109.307 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.69 111.52 1.91 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.39 -0.818 . . . . 5.6699999999999999 109.634 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.97 153.44 63.85 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.039 1.826 . . . . 6.1200000000000001 110.301 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.461 -1.455 . . . . 7.2699999999999996 109.461 179.939 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.268 0.556 . . . . 7.6600000000000001 109.51 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.583 ' O ' ' CB ' ' A' ' 321' ' ' LYS . 30.2 tttm 62.99 133.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.229 -0.919 . . . . 7.5099999999999998 109.566 179.885 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.625 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 99.18 -59.15 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.4 0 CA-C-O 118.671 -0.681 . . . . 6.8099999999999996 111.97 -179.769 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 321' ' ' LYS . 3.0 Cg_exo -63.95 116.42 3.69 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 120.684 0.922 . . . . 5.1500000000000004 110.217 -179.466 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 40.1 mt -81.11 125.86 30.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 4.7000000000000002 109.355 179.926 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.95 -162.51 0.44 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 2.48 109.363 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 163.16 48.83 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.431 -1.468 . . . . 1.0800000000000001 109.431 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.23 141.75 49.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -1.155 . . . . 1.7 109.454 -179.961 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.1 156.85 16.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 1.04 109.374 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.1 m-85 -139.0 -169.77 2.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.65000000000000002 109.514 -179.934 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.8 p -153.94 157.02 38.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.173 -0.954 . . . . 1.1399999999999999 109.403 -179.778 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.3 tp -149.16 134.09 18.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 1.0900000000000001 109.409 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -86.38 132.28 34.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.3700000000000001 109.583 -179.978 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.82 117.37 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.46 179.728 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.4 147.46 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.893 . . . . 2.79 109.673 179.984 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.32 138.81 8.05 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.814 -1.314 . . . . 0.45000000000000001 109.814 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.0 ttt180 -81.36 -52.45 7.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -1.095 . . . . 3.1600000000000001 109.482 179.903 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.62 85.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 2.2200000000000002 109.482 179.908 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.323 -0.861 . . . . 3.54 109.478 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.02 -56.46 19.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.887 . . . . 0.5 109.495 179.94 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.51 -33.43 31.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.6599999999999999 109.713 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.439 ' CG ' ' SD ' ' D' ' 340' ' ' MET . 10.2 ttp -63.3 -50.84 68.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.184 -0.947 . . . . 1.1499999999999999 110.036 -179.614 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -60.87 -53.99 50.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.34000000000000002 109.225 -179.853 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.93 -34.69 29.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 2.9399999999999999 109.616 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.24 -51.37 69.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.181 -0.949 . . . . 1.74 109.741 -179.799 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.407 HD21 HD21 ' B' ' 344' ' ' LEU . 70.9 mt -60.88 -34.06 74.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.057 179.933 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.5 -52.99 63.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.405 -0.809 . . . . 1.22 109.702 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.67 -34.44 77.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 1.72 110.027 -179.579 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.76 68.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 1.0700000000000001 110.073 -179.471 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.23 -42.13 98.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.865 . . . . 1.0800000000000001 109.755 -179.577 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.48 78.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.9099999999999999 109.731 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 16.3 tp -64.55 -42.7 95.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.885 . . . . 1.1499999999999999 109.694 -179.794 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.17 -42.88 99.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.35 -0.844 . . . . 2.1400000000000001 109.242 -179.944 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.406 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 1.9 m-20 -56.36 -40.08 73.95 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.485 -0.759 . . . . 1.4299999999999999 109.83 179.975 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.39 81.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 1.3 109.667 -179.701 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 1.6 mt-30 -81.19 -0.98 42.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.276 -0.89 . . . . 1.4199999999999999 109.762 -179.869 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -69.71 -86.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 1.5800000000000001 109.38 -179.943 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.42 96.54 1.75 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.61 -1.396 . . . . 1.54 109.61 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 7.0 mmtt -87.98 137.89 31.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.372 -1.075 . . . . 4.5499999999999998 109.486 179.824 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -48.66 108.24 0.91 Allowed Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.227 -0.921 . . . . 5.71 109.325 179.899 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 4.4 Cg_exo -59.58 123.78 14.06 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 121.941 1.761 . . . . 6.0899999999999999 110.357 -179.834 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.497 -1.441 . . . . 7.2400000000000002 109.497 179.928 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.438 -0.578 . . . . 7.6699999999999999 109.438 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.599 ' C ' ' HD2' ' B' ' 322' ' ' PRO . 30.3 tttm 62.81 133.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 7.46 109.7 -180.0 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.626 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 99.12 -59.09 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.311 0 CA-C-O 118.643 -0.694 . . . . 6.79 112.007 -179.731 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' B' ' 321' ' ' LYS . 3.0 Cg_exo -63.96 116.28 3.61 Favored 'Trans proline' 0 C--N 1.32 -0.934 0 C-N-CA 120.724 0.949 . . . . 5.1500000000000004 110.297 -179.568 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.97 125.74 30.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.284 -0.885 . . . . 4.6600000000000001 109.382 179.941 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.95 -162.69 0.46 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.929 . . . . 2.4700000000000002 109.308 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.01 163.13 48.14 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.459 -1.456 . . . . 1.0600000000000001 109.459 -179.961 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.23 141.85 49.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.201 -1.176 . . . . 1.6100000000000001 109.386 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 12.6 m-85 -93.08 156.83 16.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.96999999999999997 109.389 179.884 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 68.6 m-85 -138.96 -169.69 2.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.59999999999999998 109.565 -179.956 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.494 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 68.2 p -154.09 156.85 38.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.175 -0.953 . . . . 1.1000000000000001 109.593 -179.836 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' D' ' 342' ' ' ARG . 14.3 tp -149.08 134.12 18.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 109.427 -179.746 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -86.49 132.4 33.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 109.465 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 33.8 mt -123.92 117.44 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 1.1699999999999999 109.384 179.787 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.57 147.45 43.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 2.79 109.624 -179.953 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.35 138.87 8.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.858 -1.297 . . . . 0.47999999999999998 109.858 179.769 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 37.9 ttt180 -81.51 -52.41 7.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -1.119 . . . . 3.2200000000000002 109.44 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -46.69 85.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.354 -0.841 . . . . 2.21 109.425 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 3.1 ttm180 -60.46 -40.99 93.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 3.5499999999999998 109.439 -179.969 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.3 t80 -54.94 -56.48 19.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.323 -0.861 . . . . 0.52000000000000002 109.489 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.58 -33.34 32.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.33 -0.856 . . . . 1.6799999999999999 109.671 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -63.34 -50.78 68.64 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.249 -0.907 . . . . 1.1499999999999999 110.001 -179.569 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -60.91 -53.97 50.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.214 -0.929 . . . . 0.33000000000000002 109.237 -179.805 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.92 -34.75 29.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.384 -0.822 . . . . 3.02 109.595 179.862 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.3 -51.29 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 1.75 109.702 -179.725 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.407 HD21 HD21 ' A' ' 344' ' ' LEU . 71.5 mt -60.93 -34.02 74.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.198 -0.939 . . . . 1.0700000000000001 109.046 179.872 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.434 ' HB2' HD22 ' D' ' 330' ' ' LEU . 11.3 t-20 -59.44 -53.22 60.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.391 -0.818 . . . . 1.21 109.633 179.663 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.64 -34.39 76.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 1.6899999999999999 110.031 -179.444 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.11 -51.75 68.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 1.0600000000000001 110.095 -179.557 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.22 -42.08 97.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 1.0800000000000001 109.772 -179.607 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.44 78.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.289 -0.882 . . . . 1.9299999999999999 109.738 -179.91 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.77 95.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.1399999999999999 109.634 -179.813 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.9 ttmt -62.08 -42.97 99.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.387 -0.821 . . . . 2.1899999999999999 109.274 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.409 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 1.9 m-20 -56.4 -39.97 73.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.561 -0.712 . . . . 1.4299999999999999 109.881 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.37 81.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 1.3100000000000001 109.659 -179.775 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' A' ' 354' ' ' GLN . 1.6 mt-30 -81.19 -1.01 42.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.917 . . . . 1.3999999999999999 109.796 -179.834 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -69.54 -86.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 1.5700000000000001 109.522 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.47 96.49 1.75 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.532 -1.427 . . . . 1.53 109.532 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 7.0 mmtt -87.97 137.89 31.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -1.179 . . . . 4.5800000000000001 109.463 179.83 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -48.71 108.28 0.92 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.183 -0.948 . . . . 5.6799999999999997 109.348 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 4.4 Cg_exo -59.55 123.76 14.03 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.029 1.819 . . . . 6.0499999999999998 110.35 -179.831 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.992 -1.449 . . . . 7.2000000000000002 109.521 179.95 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.525 -0.546 . . . . 9.2200000000000006 109.525 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' C' ' 321' ' ' LYS . 30.3 tttm 62.98 133.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.304 -0.872 . . . . 8.5099999999999998 109.556 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.62 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 99.16 -59.16 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.354 0 CA-C-O 118.698 -0.668 . . . . 7.4199999999999999 112.025 -179.787 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' C' ' 321' ' ' LYS . 3.0 Cg_exo -63.87 116.38 3.65 Favored 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 120.671 0.914 . . . . 5.0499999999999998 110.224 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 40.1 mt -81.1 125.84 30.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 5.1399999999999997 109.37 179.835 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.84 -162.5 0.43 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.292 -0.88 . . . . 2.8500000000000001 109.352 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 163.18 48.67 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.408 -1.477 . . . . 1.27 109.408 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 141.78 49.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.168 -1.196 . . . . 2.1099999999999999 109.391 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 12.7 m-85 -93.06 156.93 16.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 1.01 109.394 179.886 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.8 m-85 -139.04 -169.81 2.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.231 -0.918 . . . . 0.57999999999999996 109.565 -179.91 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.3 p -153.99 157.02 38.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 1.1599999999999999 109.442 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.3 tp -149.12 133.97 17.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.929 . . . . 1.1699999999999999 109.351 -179.665 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -86.34 132.37 33.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.321 -0.862 . . . . 1.8100000000000001 109.584 179.951 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' C' ' 341' ' ' PHE . 33.5 mt -123.87 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 1.1299999999999999 109.351 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.61 147.52 43.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 2.8199999999999998 109.58 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.42 138.84 8.11 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.816 -1.314 . . . . 0.45000000000000001 109.816 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.464 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.0 ttt180 -81.46 -52.41 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.357 -1.084 . . . . 3.0800000000000001 109.463 179.813 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -46.65 85.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -0.845 . . . . 2.54 109.444 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.64 -40.91 93.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -0.908 . . . . 4.1100000000000003 109.451 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.0 t80 -55.01 -56.37 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 0.56999999999999995 109.46 -179.97 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -51.62 -33.42 33.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.922 . . . . 1.6599999999999999 109.569 -179.902 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.35 -50.78 68.61 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.277 -0.889 . . . . 1.29 110.051 -179.554 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' C' ' 332' ' ' ILE . 34.3 m-85 -60.93 -53.91 51.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.284 -0.885 . . . . 0.40000000000000002 109.253 -179.896 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -51.06 -34.68 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.403 -0.811 . . . . 3.8500000000000001 109.61 179.957 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.21 -51.32 70.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.197 -0.94 . . . . 1.78 109.731 -179.758 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.85 -34.06 74.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.241 -0.912 . . . . 1.1699999999999999 109.13 179.818 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.43 -53.12 61.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 1.2 109.682 179.692 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.74 -34.3 76.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.405 -0.81 . . . . 2.1200000000000001 110.006 -179.498 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.14 -51.8 68.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 1.0700000000000001 110.014 -179.524 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.18 -42.16 98.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 1.1399999999999999 109.76 -179.552 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.49 78.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 2.0899999999999999 109.75 -179.972 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.54 -42.77 95.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 1.3799999999999999 109.702 -179.843 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 12.9 ttmt -61.99 -43.06 99.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 2.6800000000000002 109.27 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.42 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 1.8 m-20 -56.38 -39.96 73.79 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.633 -0.667 . . . . 1.3400000000000001 109.857 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.44 81.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 1.3 109.711 -179.769 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.13 -0.96 42.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.8 109.754 -179.855 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -69.6 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.028 -1.045 . . . . 1.47 109.444 179.956 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.39 96.49 1.75 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.569 -1.413 . . . . 1.6599999999999999 109.569 -179.951 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 7.0 mmtt -87.93 137.84 31.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 4.7800000000000002 109.492 179.854 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.64 108.18 0.9 Allowed Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.134 -0.979 . . . . 6.1900000000000004 109.364 179.886 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 4.4 Cg_exo -59.62 123.76 14.0 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.941 1.761 . . . . 6.1799999999999997 110.321 -179.761 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.479 -1.448 . . . . 6.9000000000000004 109.479 179.919 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.46 -0.571 . . . . 7.6900000000000004 109.46 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.585 ' C ' ' HD2' ' D' ' 322' ' ' PRO . 30.2 tttm 63.02 133.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.888 . . . . 7.4500000000000002 109.629 179.91 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.62 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 99.25 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.303 0 CA-C-O 118.62 -0.705 . . . . 6.8399999999999999 111.965 -179.791 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -63.97 116.39 3.67 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 C-N-CA 120.746 0.964 . . . . 5.1200000000000001 110.208 -179.508 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.03 125.78 30.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 4.6600000000000001 109.417 179.829 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.86 -162.5 0.44 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 2.46 109.47 179.876 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 163.13 48.7 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.428 -1.469 . . . . 1.0800000000000001 109.428 -179.999 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 141.88 49.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -1.156 . . . . 1.6699999999999999 109.411 -179.932 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.7 m-85 -93.07 156.92 16.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 1.01 109.338 179.972 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.6 m-85 -139.09 -169.85 2.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.25 -0.907 . . . . 0.63 109.574 -179.939 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 67.8 p -153.93 157.02 38.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 1.1299999999999999 109.484 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.08 134.13 18.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 109.379 -179.729 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.1 tt0 -86.56 132.36 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.243 -0.911 . . . . 1.3700000000000001 109.53 -179.953 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.404 HG22 ' CD2' ' D' ' 341' ' ' PHE . 34.0 mt -123.85 117.43 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 1.1499999999999999 109.399 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.54 147.39 44.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 2.77 109.581 -179.946 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.36 138.72 8.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.837 -1.305 . . . . 0.42999999999999999 109.837 179.72 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.444 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.0 ttt180 -81.37 -52.34 7.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -1.102 . . . . 3.1200000000000001 109.461 179.945 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.36 -46.57 86.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.519 179.932 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.66 -40.85 93.58 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.277 -0.889 . . . . 3.5 109.431 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.494 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.3 t80 -54.97 -56.48 19.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.352 -0.842 . . . . 0.5 109.454 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.65 -33.23 32.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.447 -0.783 . . . . 1.6899999999999999 109.63 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.439 ' SD ' ' CG ' ' A' ' 340' ' ' MET . 10.1 ttp -63.3 -50.92 68.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.281 -0.887 . . . . 1.1399999999999999 110.042 -179.619 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' D' ' 332' ' ' ILE . 34.5 m-85 -60.86 -53.82 52.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.32000000000000001 109.391 -179.871 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.423 ' HA ' HD12 ' B' ' 330' ' ' LEU . 13.0 ttp180 -51.05 -34.79 31.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 2.96 109.6 179.817 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.1 -51.46 69.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.139 -0.976 . . . . 1.75 109.814 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.205 -0.934 . . . . 1.0800000000000001 109.099 179.829 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.409 ' HB2' HD22 ' B' ' 330' ' ' LEU . 11.4 t-20 -59.46 -53.16 61.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.379 -0.826 . . . . 1.22 109.656 179.774 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.63 -34.38 76.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.73 110.049 -179.532 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.1 -51.81 68.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 110.026 -179.54 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 41.4 mt -61.2 -42.06 97.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 1.1100000000000001 109.764 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.52 78.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 1.9099999999999999 109.721 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.86 95.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.899 . . . . 1.1699999999999999 109.604 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 12.9 ttmt -61.98 -42.96 99.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.844 . . . . 2.1499999999999999 109.316 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.417 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 1.9 m-20 -56.32 -40.04 73.75 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.493 -0.755 . . . . 1.4399999999999999 109.919 179.895 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.46 81.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.913 . . . . 1.3 109.716 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -81.16 -0.97 42.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.796 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -69.6 -86.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.082 -1.011 . . . . 1.6000000000000001 109.512 179.934 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.34 96.46 1.74 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.71 -1.356 . . . . 1.5 109.71 179.855 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 7.0 mmtt -87.99 137.83 31.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.173 -1.192 . . . . 4.5499999999999998 109.418 179.948 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -48.71 108.2 0.9 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 5.6699999999999999 109.396 179.926 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 4.5 Cg_exo -59.54 123.82 14.16 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.915 1.744 . . . . 6.1200000000000001 110.359 -179.793 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.46 -1.456 . . . . 7.2699999999999996 109.46 179.966 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.481 -0.563 . . . . 7.6600000000000001 109.481 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.96 -155.2 0.34 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 7.5099999999999998 109.493 -179.981 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.2 70.92 0.69 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 6.8099999999999996 109.656 -179.876 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.12 -159.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.215 1.943 . . . . 5.1500000000000004 110.224 179.842 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.19 123.09 27.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 4.7000000000000002 109.232 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.38 104.51 10.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.227 -0.921 . . . . 2.48 109.995 -179.482 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.58 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.98 169.21 49.22 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.173 -1.571 . . . . 1.0800000000000001 109.173 179.217 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.36 123.44 17.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.057 -1.26 . . . . 1.7 109.469 179.778 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 32.6 m-85 -94.62 155.13 17.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.158 -0.964 . . . . 1.04 109.698 -179.913 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -140.2 -176.84 4.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.65000000000000002 109.29 179.805 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.491 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.4 p -152.44 156.25 39.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.171 -0.955 . . . . 1.1399999999999999 109.531 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.0 tp -147.45 130.99 16.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 1.0900000000000001 109.517 -179.759 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.3 tt0 -86.43 131.41 34.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.508 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' A' ' 341' ' ' PHE . 31.9 mt -123.86 118.94 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 1.1499999999999999 109.592 179.849 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.32 43.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 2.79 109.48 -179.993 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.78 131.12 3.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.739 -1.344 . . . . 0.45000000000000001 109.739 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.5 ttt180 -76.85 -51.7 10.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -1.17 . . . . 3.1600000000000001 109.589 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 16.9 pt-20 -58.7 -41.76 87.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 2.2200000000000002 109.444 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.482 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 8.4 tpp180 -63.13 -43.86 97.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.2 -0.938 . . . . 3.54 109.141 179.69 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' C' ' 329' ' ' THR . 76.0 t80 -55.27 -46.82 76.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.432 -0.793 . . . . 0.5 109.599 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.98 -39.52 59.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.889 . . . . 1.6599999999999999 109.963 -179.617 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.57 -46.1 89.87 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.207 -0.933 . . . . 1.1499999999999999 110.162 -179.259 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.451 ' CD2' HG22 ' A' ' 332' ' ' ILE . 20.5 m-85 -61.24 -49.82 75.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.111 -0.993 . . . . 0.34000000000000002 109.419 -179.657 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -51.5 -43.02 62.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.309 -0.87 . . . . 2.9399999999999999 109.718 179.858 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.97 -41.58 92.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.178 -0.951 . . . . 1.74 109.898 -179.631 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.47 -46.36 88.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.635 -179.804 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -58.33 -43.64 88.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.22 109.777 179.964 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.86 -39.5 92.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 1.72 109.717 -179.758 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.66 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.317 -0.865 . . . . 1.0700000000000001 109.728 -179.837 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.486 HD11 ' HD2' ' C' ' 337' ' ' ARG . 53.6 mt -62.2 -44.19 97.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 109.685 -179.834 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.77 -37.7 76.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.317 -0.865 . . . . 1.9099999999999999 109.446 -179.894 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.409 ' HG ' HD22 ' B' ' 350' ' ' LEU . 12.7 tp -63.49 -40.49 97.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.1499999999999999 109.342 -179.956 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 8.7 ttmm -62.53 -51.19 68.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.394 -0.816 . . . . 2.1400000000000001 109.089 179.845 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.29 -30.15 64.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.564 -0.71 . . . . 1.4299999999999999 109.755 179.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.61 80.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.888 . . . . 1.3 109.976 -179.51 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -83.6 -15.5 48.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 1.4199999999999999 109.624 -179.694 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.96 -12.35 60.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.17 -0.956 . . . . 1.5800000000000001 109.459 179.721 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.64 9.28 68.71 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.058 -1.217 . . . . 1.54 110.058 -179.737 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.46 97.27 10.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.216 -1.167 . . . . 4.5499999999999998 109.692 -179.676 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.464 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 1.5 mt-10 -52.01 171.2 0.2 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 5.71 109.596 179.712 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 3.1 Cg_exo -61.57 131.09 34.17 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.148 1.899 . . . . 6.0899999999999999 110.12 179.919 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.97 -1.461 . . . . 7.2400000000000002 109.59 179.986 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.429 -0.582 . . . . 7.6699999999999999 109.429 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.97 -155.09 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.258 -0.901 . . . . 7.46 109.506 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.15 70.86 0.7 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.289 -0.882 . . . . 6.79 109.635 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.96 -159.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.287 1.991 . . . . 5.1500000000000004 110.239 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.17 122.96 27.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.2 -0.938 . . . . 4.6600000000000001 109.205 179.776 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.26 104.97 11.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.25 -0.906 . . . . 2.4700000000000002 110.037 -179.648 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.81 169.36 50.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.027 -1.629 . . . . 1.0600000000000001 109.027 179.417 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.32 123.37 17.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.077 -1.249 . . . . 1.6100000000000001 109.402 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 32.6 m-85 -94.44 155.11 17.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.96999999999999997 109.785 179.957 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.84 4.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.59999999999999998 109.323 179.775 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.0 p -152.41 156.18 39.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.099 -1.001 . . . . 1.1000000000000001 109.6 -179.671 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -147.37 130.86 16.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 1.1000000000000001 109.592 -179.73 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.3 tt0 -86.44 131.35 34.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.3600000000000001 109.522 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' B' ' 341' ' ' PHE . 32.8 mt -123.84 118.99 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.507 179.898 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.5 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 0.9 OUTLIER -73.48 148.35 43.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.282 -0.886 . . . . 2.79 109.555 179.909 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 131.33 3.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.728 -1.349 . . . . 0.47999999999999998 109.728 179.816 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 61.6 ttt180 -77.05 -51.61 10.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -1.132 . . . . 3.2200000000000002 109.637 179.929 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 16.9 pt-20 -58.64 -41.76 86.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 2.21 109.49 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' B' ' 336' ' ' GLU . 8.4 tpp180 -63.15 -43.92 96.98 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.242 -0.911 . . . . 3.5499999999999998 109.105 179.699 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' D' ' 329' ' ' THR . 75.9 t80 -55.23 -46.97 75.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.468 -0.77 . . . . 0.52000000000000002 109.547 179.938 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.91 -39.55 59.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 1.6799999999999999 110.028 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.55 -46.06 90.09 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.078 -1.014 . . . . 1.1499999999999999 110.259 -179.299 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.455 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.2 m-85 -61.09 -49.98 75.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.043 -1.035 . . . . 0.33000000000000002 109.404 -179.767 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.43 -43.09 61.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.384 -0.823 . . . . 3.02 109.683 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.91 -41.58 92.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.955 . . . . 1.75 109.955 -179.646 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.35 -46.53 88.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 1.0700000000000001 109.657 -179.882 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -43.86 87.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 1.21 109.694 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.65 -39.56 91.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.6899999999999999 109.792 -179.711 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.54 90.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.37 -0.831 . . . . 1.0600000000000001 109.733 -179.785 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.468 HD11 ' HD2' ' D' ' 337' ' ' ARG . 54.2 mt -62.32 -44.18 97.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.599 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.76 -37.67 76.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.9299999999999999 109.535 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.453 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 12.6 tp -63.52 -40.41 96.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.379 -0.826 . . . . 1.1399999999999999 109.434 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.51 -51.27 68.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 2.1899999999999999 109.141 179.741 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.19 64.35 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.567 -0.708 . . . . 1.4299999999999999 109.71 179.844 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.57 80.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 1.3100000000000001 109.994 -179.481 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -83.58 -15.32 49.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.765 -179.786 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.22 -12.09 60.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 1.5700000000000001 109.46 179.734 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.8 9.39 68.84 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.086 -1.206 . . . . 1.53 110.086 -179.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.57 97.27 10.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.169 -1.195 . . . . 4.5800000000000001 109.703 -179.671 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.465 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 1.5 mt-10 -52.04 171.13 0.2 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 5.6799999999999997 109.566 179.792 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.465 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -61.48 130.97 33.79 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.065 1.843 . . . . 6.0499999999999998 110.247 179.835 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.954 -1.47 . . . . 7.2000000000000002 109.552 179.983 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.448 -0.575 . . . . 9.2200000000000006 109.448 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.06 -155.24 0.33 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 8.5099999999999998 109.521 -179.93 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.25 70.81 0.7 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.194 -0.941 . . . . 7.4199999999999999 109.643 -179.99 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.92 -158.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.174 1.916 . . . . 5.0499999999999998 110.321 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.19 123.05 27.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.211 -0.93 . . . . 5.1399999999999997 109.122 179.836 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.52 104.87 11.35 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 2.8500000000000001 109.995 -179.578 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.579 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.37 169.37 49.75 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.083 -1.607 . . . . 1.27 109.083 179.376 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.38 123.34 17.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.12 -1.224 . . . . 2.1099999999999999 109.483 179.79 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 32.7 m-85 -94.56 155.21 17.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.913 . . . . 1.01 109.671 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.86 4.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.57999999999999996 109.289 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 62.9 p -152.47 156.23 39.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.12 -0.988 . . . . 1.1599999999999999 109.592 -179.753 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -147.39 131.0 16.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.311 -0.868 . . . . 1.1699999999999999 109.553 -179.731 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 42.4 tt0 -86.5 131.37 34.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.8100000000000001 109.499 179.985 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.449 HG22 ' CD2' ' C' ' 341' ' ' PHE . 32.0 mt -123.76 119.08 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 1.1299999999999999 109.534 179.78 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.33 43.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.8199999999999998 109.499 179.822 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.68 131.46 3.94 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.671 -1.371 . . . . 0.45000000000000001 109.671 179.765 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 61.6 ttt180 -77.08 -51.7 10.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.289 -1.124 . . . . 3.0800000000000001 109.643 179.97 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 16.9 pt-20 -58.63 -41.69 86.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.929 . . . . 2.54 109.513 179.948 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.486 ' HD2' HD11 ' A' ' 348' ' ' LEU . 8.4 tpp180 -63.2 -43.86 96.96 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.317 -0.865 . . . . 4.1100000000000003 109.13 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.491 ' CE1' ' O ' ' A' ' 329' ' ' THR . 75.9 t80 -55.38 -46.74 76.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.432 -0.792 . . . . 0.56999999999999995 109.574 179.933 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.01 -39.5 59.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.835 . . . . 1.6599999999999999 110.036 -179.687 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.62 -46.02 90.19 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.134 -0.979 . . . . 1.29 110.249 -179.321 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.449 ' CD2' HG22 ' C' ' 332' ' ' ILE . 20.3 m-85 -61.19 -49.91 75.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.40000000000000002 109.441 -179.793 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.49 -43.03 62.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 3.8500000000000001 109.698 179.897 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.85 -41.69 91.99 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -0.946 . . . . 1.78 109.861 -179.705 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.47 -46.37 88.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.929 . . . . 1.1699999999999999 109.643 -179.736 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -58.38 -43.77 88.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 1.2 109.737 -179.957 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.64 -39.56 91.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 2.1200000000000001 109.751 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.74 90.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.865 . . . . 1.0700000000000001 109.668 -179.803 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.426 HD11 ' HD2' ' A' ' 337' ' ' ARG . 54.1 mt -62.15 -44.16 97.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.674 -179.805 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.9 -37.55 76.88 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 2.0899999999999999 109.552 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.55 -40.39 96.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 1.3799999999999999 109.39 179.961 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.62 -51.17 68.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.456 -0.777 . . . . 2.6800000000000002 109.089 179.799 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.21 64.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.5 -0.75 . . . . 1.3400000000000001 109.746 179.767 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.59 80.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.384 -0.823 . . . . 1.3 109.956 -179.399 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -83.59 -15.36 49.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.117 -0.989 . . . . 1.8 109.677 -179.715 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.05 -12.34 60.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 1.47 109.425 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 9.45 68.67 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.044 -1.223 . . . . 1.6599999999999999 110.044 -179.693 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -86.56 97.28 10.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.057 -1.261 . . . . 4.7800000000000002 109.752 -179.768 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.47 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 1.5 mt-10 -52.06 171.16 0.2 Allowed Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.319 -0.863 . . . . 6.1900000000000004 109.523 179.816 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 3.0 Cg_exo -61.43 130.98 33.91 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.204 1.936 . . . . 6.1799999999999997 110.182 179.877 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.893 -1.504 . . . . 6.9000000000000004 109.574 179.97 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.422 -0.585 . . . . 7.6900000000000004 109.422 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.04 -155.24 0.33 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.932 . . . . 7.4500000000000002 109.512 179.921 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.25 70.89 0.69 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 6.8399999999999999 109.641 -179.946 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -159.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.35 2.033 . . . . 5.1200000000000001 110.252 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.29 123.08 27.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.181 -0.95 . . . . 4.6600000000000001 109.191 179.846 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.36 104.72 11.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.368 -0.833 . . . . 2.46 109.962 -179.48 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.35 169.29 49.81 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.044 -1.622 . . . . 1.0800000000000001 109.044 179.347 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 123.35 17.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.111 -1.229 . . . . 1.6699999999999999 109.4 179.821 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 32.3 m-85 -94.54 155.19 17.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.117 -0.99 . . . . 1.01 109.699 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.6 m-85 -140.36 -176.9 4.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.63 109.295 179.842 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.0 p -152.35 156.28 39.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 1.1299999999999999 109.571 -179.717 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.9 tp -147.37 130.97 16.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 1.1000000000000001 109.524 -179.733 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -86.53 131.38 34.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.3700000000000001 109.463 179.997 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.446 HG22 ' CD2' ' D' ' 341' ' ' PHE . 32.4 mt -123.84 119.02 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 1.1499999999999999 109.461 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.9 OUTLIER -73.52 148.38 43.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 2.77 109.575 179.815 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.7 131.55 3.98 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.732 -1.347 . . . . 0.42999999999999999 109.732 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 61.8 ttt180 -77.19 -51.75 10.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.348 -1.089 . . . . 3.1200000000000001 109.603 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 16.9 pt-20 -58.62 -41.79 86.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.457 179.972 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' D' ' 336' ' ' GLU . 8.4 tpp180 -63.19 -43.83 97.08 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 3.5 109.136 179.747 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 76.1 t80 -55.24 -46.87 76.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.5 109.626 179.882 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.9 -39.61 59.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.368 -0.833 . . . . 1.6899999999999999 110.06 -179.722 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 1.1399999999999999 110.313 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.446 ' CD2' HG22 ' D' ' 332' ' ' ILE . 20.3 m-85 -61.18 -49.88 75.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.32000000000000001 109.362 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.53 -43.05 62.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.356 -0.84 . . . . 2.96 109.702 179.95 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.9 -41.66 92.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 1.75 109.882 -179.662 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.27 -46.59 88.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.0800000000000001 109.63 -179.839 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.34 -43.7 88.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.852 . . . . 1.22 109.715 -179.87 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.77 -39.47 91.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 1.73 109.738 -179.765 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.2 -45.51 90.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.0700000000000001 109.775 -179.835 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.437 HD11 ' HD2' ' B' ' 337' ' ' ARG . 54.3 mt -62.37 -44.15 97.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 1.1100000000000001 109.627 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.84 -37.65 76.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.468 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.6 tp -63.51 -40.31 96.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 1.1699999999999999 109.443 179.965 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.62 -51.2 68.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 2.1499999999999999 109.095 179.769 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.25 -30.12 64.38 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.625 -0.672 . . . . 1.4399999999999999 109.814 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.49 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 1.3 109.945 -179.454 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -83.62 -15.49 48.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.091 -1.006 . . . . 1.3999999999999999 109.628 -179.733 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.03 -12.29 60.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.6000000000000001 109.472 179.779 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 9.36 68.74 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.992 -1.243 . . . . 1.5 109.992 -179.708 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.61 97.42 10.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 4.5499999999999998 109.665 -179.665 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.467 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 1.5 mt-10 -52.19 171.22 0.21 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.317 -0.864 . . . . 5.6699999999999999 109.542 179.797 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 3.0 Cg_endo -61.45 131.01 33.99 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.114 1.876 . . . . 6.1200000000000001 110.144 179.894 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 118.004 -1.442 . . . . 7.2699999999999996 109.537 179.923 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.429 -0.582 . . . . 7.6600000000000001 109.429 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.46 51.03 6.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 7.5099999999999998 109.483 179.869 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.84 68.49 2.11 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.171 -0.955 . . . . 6.8099999999999996 109.475 179.878 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.97 -4.55 11.62 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.145 1.896 . . . . 5.1500000000000004 110.758 -179.928 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 45.3 mt -82.86 97.01 8.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.961 -1.087 . . . . 4.7000000000000002 109.573 179.861 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.406 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 2.5 m-20 -82.25 -169.65 2.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 2.48 109.396 179.684 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.85 171.6 38.11 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.398 -1.481 . . . . 1.0800000000000001 109.398 179.953 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.51 131.68 51.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -1.192 . . . . 1.7 109.516 -179.896 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 9.8 m-85 -94.78 155.37 16.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.974 . . . . 1.04 109.673 179.975 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.2 m-85 -139.68 -169.36 2.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.65000000000000002 109.325 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' C' ' 338' ' ' PHE . 11.9 p -153.34 162.94 40.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 1.1399999999999999 109.693 -179.777 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.2 tp -149.39 133.56 17.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.294 -0.879 . . . . 1.0900000000000001 109.479 -179.782 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.71 34.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.306 -0.871 . . . . 1.3700000000000001 109.198 179.746 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.89 114.36 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.914 . . . . 1.1499999999999999 109.613 -179.787 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.53 150.8 41.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 2.79 109.295 179.789 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.02 130.01 4.53 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.692 -1.363 . . . . 0.45000000000000001 109.692 179.751 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CB ' ' CZ ' ' A' ' 335' ' ' ARG . 0.5 OUTLIER -78.12 -52.78 8.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -1.089 . . . . 3.1600000000000001 109.526 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.19 -48.29 80.78 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 2.2200000000000002 109.426 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.85 -40.21 92.0 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.362 -0.836 . . . . 3.54 109.314 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.466 ' CZ ' ' O ' ' C' ' 329' ' ' THR . 35.7 t80 -54.97 -55.36 31.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.47 -0.769 . . . . 0.5 109.554 -179.933 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.21 39.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.317 -0.864 . . . . 1.6599999999999999 109.946 -179.885 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.42 -47.8 82.5 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.068 -1.02 . . . . 1.1499999999999999 109.772 -179.648 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -61.48 -47.29 86.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.918 . . . . 0.34000000000000002 108.998 179.867 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -51.9 -39.95 59.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 2.9399999999999999 109.684 179.823 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.8 -49.56 77.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.237 -0.915 . . . . 1.74 109.718 -179.64 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.86 -33.36 72.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.104 -0.998 . . . . 1.0700000000000001 108.951 179.691 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD23 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.48 -55.21 37.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 1.22 109.434 179.64 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.72 -29.09 70.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.789 . . . . 1.72 109.792 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.32 -56.84 16.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.917 . . . . 1.0700000000000001 109.806 -179.661 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.79 -38.14 84.31 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.302 -0.874 . . . . 1.0800000000000001 109.434 -179.834 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.05 -37.23 76.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 109.402 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.48 -40.56 95.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 1.1499999999999999 109.309 179.941 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -49.38 76.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.426 -0.796 . . . . 2.1400000000000001 108.907 179.77 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.68 -29.8 62.74 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.619 -0.676 . . . . 1.4299999999999999 109.462 179.584 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.41 83.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.865 . . . . 1.3 109.734 -179.687 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -13.67 55.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.4199999999999999 109.431 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.36 -21.56 60.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.093 179.567 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.93 20.23 21.3 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.974 -1.251 . . . . 1.54 109.974 179.867 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 39.99 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.117 -1.225 . . . . 4.5499999999999998 109.71 -179.831 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.468 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -51.03 171.48 0.17 Allowed Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.9 . . . . 5.71 109.443 179.925 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 3.2 Cg_exo -61.45 141.41 91.99 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.095 1.864 . . . . 6.0899999999999999 110.154 179.963 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.953 -1.47 . . . . 7.2400000000000002 109.539 179.895 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.471 -0.566 . . . . 7.6699999999999999 109.471 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.38 50.95 7.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.914 . . . . 7.46 109.571 179.925 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.96 68.46 2.09 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.132 -0.98 . . . . 6.79 109.493 179.885 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.9 -4.56 11.55 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.068 1.846 . . . . 5.1500000000000004 110.79 -179.969 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 44.7 mt -82.97 97.04 8.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.973 -1.079 . . . . 4.6600000000000001 109.486 179.995 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.412 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 2.5 m-20 -82.24 -169.85 2.62 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.328 -0.857 . . . . 2.4700000000000002 109.456 179.649 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.66 171.49 37.63 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.478 -1.449 . . . . 1.0600000000000001 109.478 179.882 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.44 131.7 51.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -1.185 . . . . 1.6100000000000001 109.478 -179.929 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 9.8 m-85 -94.79 155.45 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.96999999999999997 109.682 179.982 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.4 m-85 -139.75 -169.38 2.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.327 -0.858 . . . . 0.59999999999999998 109.286 179.864 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CZ ' ' D' ' 338' ' ' PHE . 12.0 p -153.28 163.05 40.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 1.1000000000000001 109.648 -179.745 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.2 tp -149.54 133.47 17.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.919 . . . . 1.1000000000000001 109.498 -179.896 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.66 127.74 34.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 1.3600000000000001 109.16 179.846 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 114.39 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -0.969 . . . . 1.1699999999999999 109.718 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.43 150.74 41.48 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 2.79 109.423 179.719 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.13 129.93 4.55 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.47999999999999998 109.757 179.777 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -78.08 -52.79 8.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -1.054 . . . . 3.2200000000000002 109.46 179.949 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.16 -48.46 80.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 2.21 109.388 179.912 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -60.72 -40.23 91.57 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.262 -0.899 . . . . 3.5499999999999998 109.359 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' D' ' 329' ' ' THR . 35.4 t80 -54.88 -55.42 30.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 0.52000000000000002 109.581 -179.972 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -51.84 -34.2 39.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 1.6799999999999999 109.842 -179.864 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.41 -47.82 82.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.16 -0.962 . . . . 1.1499999999999999 109.737 -179.587 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -61.48 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.33000000000000002 109.152 179.832 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.408 ' HA ' HD12 ' D' ' 330' ' ' LEU . 0.0 OUTLIER -52.07 -39.89 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 3.02 109.687 179.812 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.67 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -0.916 . . . . 1.75 109.696 -179.725 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.75 -33.49 73.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.022 . . . . 1.0700000000000001 108.974 179.769 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.423 ' HB2' HD23 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.31 -55.33 36.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.483 -0.761 . . . . 1.21 109.425 179.643 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.17 70.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.358 -0.839 . . . . 1.6899999999999999 109.8 -179.854 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.21 -56.83 16.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 1.0600000000000001 109.888 -179.724 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.81 -38.1 84.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.853 . . . . 1.0800000000000001 109.342 -179.827 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.09 -37.28 76.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 1.9299999999999999 109.36 179.817 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.49 -40.5 95.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.1399999999999999 109.351 179.993 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.45 76.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.79 . . . . 2.1899999999999999 108.935 179.708 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.63 -29.79 62.58 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.592 -0.692 . . . . 1.4299999999999999 109.49 179.544 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.5 83.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 1.3100000000000001 109.621 -179.634 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -13.58 55.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.12 -0.988 . . . . 1.3999999999999999 109.475 179.937 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.4 -21.61 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.199 -0.938 . . . . 1.5700000000000001 109.104 179.549 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.86 20.2 21.2 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.926 -1.27 . . . . 1.53 109.926 179.924 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 39.89 0.86 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.024 -1.28 . . . . 4.5800000000000001 109.783 -179.813 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.467 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 0.0 OUTLIER -50.96 171.43 0.16 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 5.6799999999999997 109.523 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -61.34 141.41 92.53 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.152 1.901 . . . . 6.0499999999999998 110.209 179.9 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.013 -1.437 . . . . 7.2000000000000002 109.57 -179.999 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.404 -0.591 . . . . 9.2200000000000006 109.404 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.44 50.99 6.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.206 -0.934 . . . . 8.5099999999999998 109.58 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.88 68.41 2.14 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 7.4199999999999999 109.544 179.931 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.01 -4.3 11.22 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.088 1.859 . . . . 5.0499999999999998 110.802 -179.911 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 45.1 mt -83.02 96.99 8.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 5.1399999999999997 109.568 179.82 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.407 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 2.5 m-20 -82.18 -169.79 2.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.445 -0.785 . . . . 2.8500000000000001 109.394 179.7 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.73 171.29 38.28 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.446 -1.461 . . . . 1.27 109.446 179.865 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.22 131.77 52.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -1.203 . . . . 2.1099999999999999 109.516 -179.985 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 9.8 m-85 -94.91 155.42 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.077 -1.015 . . . . 1.01 109.737 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -139.64 -169.33 2.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.322 -0.861 . . . . 0.57999999999999996 109.392 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.466 ' O ' ' CZ ' ' A' ' 338' ' ' PHE . 11.7 p -153.35 163.3 40.17 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 1.1599999999999999 109.599 -179.893 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.3 tp -149.67 133.51 16.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 1.1699999999999999 109.447 -179.811 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.7 34.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.8100000000000001 109.179 179.841 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.78 114.44 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 1.1299999999999999 109.707 -179.877 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 150.83 41.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.8199999999999998 109.384 179.754 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.97 129.31 4.28 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.807 -1.317 . . . . 0.45000000000000001 109.807 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -77.25 -52.94 8.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -1.118 . . . . 3.0800000000000001 109.632 179.911 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.18 -48.42 80.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 2.54 109.41 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.76 -40.08 91.17 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.297 -0.877 . . . . 4.1100000000000003 109.418 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -54.9 -55.5 29.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -0.825 . . . . 0.56999999999999995 109.523 179.979 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -51.77 -34.28 38.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.326 -0.859 . . . . 1.6599999999999999 109.922 -179.848 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.33 -47.9 82.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 1.29 109.683 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -61.52 -47.17 86.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.40000000000000002 109.063 179.924 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -51.96 -39.89 60.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.503 -0.748 . . . . 3.8500000000000001 109.779 179.768 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.68 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 1.78 109.657 -179.672 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.89 -33.39 73.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 1.1699999999999999 108.888 179.859 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' C' ' 342' ' ' ARG . 18.5 t-20 -59.32 -55.38 35.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 1.2 109.396 179.665 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.08 70.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 2.1200000000000001 109.772 -179.824 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.24 -56.9 15.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 109.869 -179.74 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.78 -38.07 84.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 1.1399999999999999 109.378 -179.843 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.18 -37.18 76.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.292 -0.88 . . . . 2.0899999999999999 109.398 179.821 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.42 -40.56 95.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 1.3799999999999999 109.355 179.878 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -49.5 76.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.3 -0.875 . . . . 2.6800000000000002 108.94 179.723 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.55 -29.86 62.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.567 -0.708 . . . . 1.3400000000000001 109.523 179.537 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.45 83.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.328 -0.857 . . . . 1.3 109.662 -179.627 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -13.76 55.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.108 -0.995 . . . . 1.8 109.362 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.33 -21.6 60.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.217 -0.927 . . . . 1.47 109.168 179.538 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.92 20.18 21.59 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.866 -1.294 . . . . 1.6599999999999999 109.866 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 39.87 0.86 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.041 -1.27 . . . . 4.7800000000000002 109.804 -179.86 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.46 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 0.0 OUTLIER -51.0 171.4 0.17 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.162 -0.961 . . . . 6.1900000000000004 109.438 179.986 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.35 141.31 92.2 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.139 1.893 . . . . 6.1799999999999997 110.253 179.903 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 118.025 -1.431 . . . . 6.9000000000000004 109.577 179.981 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.391 -0.596 . . . . 7.6900000000000004 109.391 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.57 50.95 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.256 -0.903 . . . . 7.4500000000000002 109.525 179.882 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.83 68.39 2.16 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.231 -0.918 . . . . 6.8399999999999999 109.506 179.913 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.93 -4.34 11.2 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.1 1.867 . . . . 5.1200000000000001 110.84 -179.993 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.0 96.9 8.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.064 -1.023 . . . . 4.6600000000000001 109.587 179.858 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.4 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 2.5 m-20 -82.12 -169.72 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 2.46 109.378 179.731 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.82 171.4 38.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.436 -1.465 . . . . 1.0800000000000001 109.436 179.9 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.27 131.74 51.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -1.136 . . . . 1.6699999999999999 109.437 -179.901 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 9.7 m-85 -95.0 155.49 16.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 1.01 109.664 179.938 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.8 m-85 -139.77 -169.39 2.7 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.368 -0.832 . . . . 0.63 109.248 -179.976 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' B' ' 338' ' ' PHE . 11.9 p -153.34 162.91 40.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 1.1299999999999999 109.664 -179.717 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.423 HD23 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.41 133.63 17.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 1.1000000000000001 109.429 -179.804 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.8 127.84 34.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 109.132 179.807 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.92 114.28 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 1.1499999999999999 109.666 -179.828 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.46 150.68 41.47 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 2.77 109.395 179.739 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.11 129.71 4.47 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.773 -1.331 . . . . 0.42999999999999999 109.773 179.782 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.58 ' CB ' ' CZ ' ' D' ' 335' ' ' ARG . 0.5 OUTLIER -77.69 -52.88 8.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -1.044 . . . . 3.1200000000000001 109.537 179.887 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.34 -48.09 81.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 2.2200000000000002 109.429 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.0 -40.04 92.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.353 -0.842 . . . . 3.5 109.365 179.959 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CZ ' ' O ' ' B' ' 329' ' ' THR . 35.8 t80 -54.99 -55.39 31.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.5 109.565 179.978 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.29 39.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.6899999999999999 109.889 -179.88 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.4 -47.74 82.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.16 -0.963 . . . . 1.1399999999999999 109.751 -179.598 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -61.5 -47.27 86.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.32000000000000001 109.026 179.908 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -40.0 60.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.417 -0.802 . . . . 2.96 109.581 179.881 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.65 -49.59 76.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -0.852 . . . . 1.75 109.776 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.86 -33.4 73.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.167 -0.958 . . . . 1.0800000000000001 108.926 179.771 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD23 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.33 -55.31 36.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.392 -0.818 . . . . 1.22 109.501 179.571 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.7 -29.09 70.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.423 -0.798 . . . . 1.73 109.786 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.2 -56.89 16.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 1.0700000000000001 109.854 -179.714 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.89 -38.07 84.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 1.1100000000000001 109.396 -179.783 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.11 -37.21 76.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.376 179.76 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.5 -40.5 95.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.242 -0.911 . . . . 1.1699999999999999 109.325 179.972 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.53 76.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 2.1499999999999999 108.861 179.693 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.67 -29.82 62.74 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.656 -0.652 . . . . 1.4399999999999999 109.472 179.643 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.57 83.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.41 -0.806 . . . . 1.3 109.63 -179.695 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -13.66 55.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 1.3999999999999999 109.443 -179.992 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.48 -21.47 60.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.6000000000000001 109.087 179.61 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.06 20.29 21.57 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 1.5 109.89 179.896 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 40.04 0.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -1.194 . . . . 4.5499999999999998 109.756 -179.904 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.458 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 0.0 OUTLIER -51.07 171.5 0.17 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.175 -0.953 . . . . 5.6699999999999999 109.435 179.93 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 3.0 Cg_exo -61.43 141.37 91.94 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.131 1.887 . . . . 6.1200000000000001 110.243 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 CA-C-O 117.969 -1.462 . . . . 7.2699999999999996 109.549 -179.982 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.492 -0.558 . . . . 7.6600000000000001 109.492 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.09 24.79 14.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.23 -0.919 . . . . 7.5099999999999998 109.536 179.961 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.31 81.43 0.26 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 6.8099999999999996 109.436 179.96 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.44 80.81 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.356 2.037 . . . . 5.1500000000000004 110.574 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.98 24.36 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.9 . . . . 4.7000000000000002 109.713 179.629 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.41 -154.9 0.05 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.355 -0.841 . . . . 2.48 109.993 -179.301 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 153.48 52.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.002 -1.239 . . . . 1.0800000000000001 110.002 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.62 147.11 38.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.44 -1.035 . . . . 1.7 109.535 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.297 -0.877 . . . . 1.04 109.396 179.826 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.7 m-85 -138.09 -168.31 2.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 109.55 -179.902 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.406 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 19.7 p -153.2 162.67 41.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 109.644 -179.794 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' C' ' 329' ' ' THR . 23.7 tp -150.08 133.07 16.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.287 -0.883 . . . . 1.0900000000000001 109.362 -179.998 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.6 126.44 34.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.3700000000000001 109.69 -179.803 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -124.14 116.48 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.937 . . . . 1.1499999999999999 109.333 179.709 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 2.1 ttt-85 -74.07 159.62 32.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 2.79 109.864 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.439 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 80.16 134.82 1.33 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.834 -1.306 . . . . 0.45000000000000001 109.834 179.643 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 58.5 ttt180 -81.04 -49.02 11.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -1.101 . . . . 3.1600000000000001 109.38 179.829 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.5 -51.09 71.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 2.2200000000000002 109.441 179.936 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.07 85.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.351 -0.843 . . . . 3.54 109.299 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.3 t80 -55.3 -53.03 61.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.5 109.572 179.953 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.45 -34.45 35.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.821 . . . . 1.6599999999999999 109.816 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.71 -50.51 70.85 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 109.898 -179.473 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -60.75 -54.65 42.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.34000000000000002 109.241 -179.919 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.02 -34.41 29.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -0.797 . . . . 2.9399999999999999 109.501 179.856 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.29 -49.07 79.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.159 -0.963 . . . . 1.74 109.474 -179.918 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.261 -0.899 . . . . 1.0700000000000001 108.838 179.687 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.21 -53.31 59.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 1.22 109.711 179.73 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.7 -32.9 74.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -0.852 . . . . 1.72 110.066 -179.506 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.56 -53.3 59.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 1.0700000000000001 110.101 -179.643 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.89 -43.54 98.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 1.0800000000000001 109.731 -179.511 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.46 -35.33 73.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 1.9099999999999999 109.562 179.978 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 350' ' ' LEU . 1.3 tt -65.7 -40.85 92.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.298 -0.876 . . . . 1.1499999999999999 109.429 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -62.19 -48.32 80.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.345 -0.847 . . . . 2.1400000000000001 108.869 179.745 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.4 68.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.498 -0.751 . . . . 1.4299999999999999 109.638 179.638 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.36 69.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 1.3 109.845 -179.74 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 357' ' ' LYS . 8.6 mt-30 -82.77 -10.06 59.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.189 -0.944 . . . . 1.4199999999999999 109.529 -179.865 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.86 58.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 1.5800000000000001 109.696 179.876 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.29 17.1 35.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.127 -1.189 . . . . 1.54 110.127 -179.672 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 354' ' ' GLN . 0.0 OUTLIER -85.26 141.85 29.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.013 -1.287 . . . . 4.5499999999999998 109.6 -179.855 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.03 106.44 0.6 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.908 . . . . 5.71 109.489 179.974 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.9 Cg_endo -60.78 133.43 47.94 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.025 1.817 . . . . 6.0899999999999999 110.255 -179.946 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.521 -1.432 . . . . 7.2400000000000002 109.521 179.988 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.525 -0.546 . . . . 7.6699999999999999 109.525 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.08 24.91 14.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.244 -0.91 . . . . 7.46 109.528 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.19 81.51 0.25 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 6.79 109.456 179.985 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.51 80.81 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.397 2.065 . . . . 5.1500000000000004 110.602 -179.895 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.98 24.35 1.83 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 4.6600000000000001 109.72 179.677 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.49 -155.03 0.06 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.383 -0.823 . . . . 2.4700000000000002 109.983 -179.288 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.25 153.43 52.92 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.002 -1.239 . . . . 1.0600000000000001 110.002 -179.505 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.59 147.18 38.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -1.049 . . . . 1.6100000000000001 109.544 179.89 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' D' ' 333' ' ' ARG . 51.4 m-85 -94.49 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.894 . . . . 0.96999999999999997 109.386 179.821 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.6 m-85 -138.13 -168.33 2.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.879 . . . . 0.59999999999999998 109.504 -179.871 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 19.6 p -153.19 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.1000000000000001 109.62 -179.786 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' D' ' 329' ' ' THR . 23.7 tp -150.05 133.12 16.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.271 -0.893 . . . . 1.1000000000000001 109.359 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.63 126.41 34.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.271 -0.893 . . . . 1.3600000000000001 109.702 -179.833 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 46.7 mt -124.09 116.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.205 -0.934 . . . . 1.1699999999999999 109.365 179.704 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.514 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 2.1 ttt-85 -74.04 159.59 32.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.177 -0.952 . . . . 2.79 109.87 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 80.21 134.8 1.34 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.871 -1.292 . . . . 0.47999999999999998 109.871 179.664 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 58.5 ttt180 -81.03 -49.06 11.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -1.098 . . . . 3.2200000000000002 109.348 179.82 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.56 -50.94 71.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.477 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.31 -39.04 85.57 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 3.5499999999999998 109.281 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -55.35 -52.97 61.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.52000000000000002 109.582 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.48 -34.46 35.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 1.6799999999999999 109.795 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.68 -50.59 70.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.891 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -60.69 -54.66 42.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.33000000000000002 109.241 -179.905 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.0 -34.43 29.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.414 -0.804 . . . . 3.02 109.514 179.84 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.3 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.75 109.472 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.16 -34.78 75.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.349 -0.845 . . . . 1.0700000000000001 108.84 179.692 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.28 -53.24 60.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.421 -0.8 . . . . 1.21 109.685 179.762 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.69 -33.04 74.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.095 -179.557 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.5 -53.25 59.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.139 -0.976 . . . . 1.0600000000000001 110.101 -179.627 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.83 -43.63 98.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.913 . . . . 1.0800000000000001 109.703 -179.534 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.49 -35.23 73.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 1.9299999999999999 109.572 -179.974 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.3 tt -65.75 -40.97 92.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 1.1399999999999999 109.343 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 34.6 ttmt -62.1 -48.27 80.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 2.1899999999999999 108.923 179.764 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.47 68.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.534 -0.729 . . . . 1.4299999999999999 109.615 179.628 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.35 69.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 1.3100000000000001 109.867 -179.757 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.464 ' O ' ' HG2' ' B' ' 357' ' ' LYS . 8.7 mt-30 -82.81 -10.03 59.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 1.3999999999999999 109.473 -179.852 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -45.8 58.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 1.5700000000000001 109.676 179.897 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 17.12 35.61 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.105 -1.198 . . . . 1.53 110.105 -179.621 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' B' ' 354' ' ' GLN . 0.0 OUTLIER -85.22 141.84 29.85 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.004 -1.292 . . . . 4.5800000000000001 109.636 -179.93 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.05 106.51 0.61 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 5.6799999999999997 109.415 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.9 Cg_endo -60.85 133.46 47.94 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 121.972 1.781 . . . . 6.0499999999999998 110.209 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 118.034 -1.425 . . . . 7.2000000000000002 109.582 179.935 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.476 -0.564 . . . . 9.2200000000000006 109.476 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.04 24.84 14.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 8.5099999999999998 109.581 179.959 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.23 81.47 0.26 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 7.4199999999999999 109.456 179.988 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.45 80.88 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.36 2.04 . . . . 5.0499999999999998 110.572 -179.915 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.02 24.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.881 . . . . 5.1399999999999997 109.679 179.645 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.44 -154.98 0.06 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.293 -0.879 . . . . 2.8500000000000001 110.01 -179.267 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.38 153.41 52.91 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.982 -1.247 . . . . 1.27 109.982 -179.532 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -59.56 147.13 38.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -1.073 . . . . 2.1099999999999999 109.549 179.895 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 51.1 m-85 -94.46 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.884 . . . . 1.01 109.338 179.834 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -138.09 -168.32 2.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.57999999999999996 109.548 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 19.7 p -153.22 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 1.1599999999999999 109.612 -179.788 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 329' ' ' THR . 24.0 tp -150.1 133.01 16.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 1.1699999999999999 109.38 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.5 126.39 34.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.902 . . . . 1.8100000000000001 109.703 -179.826 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.0 mt -124.12 116.43 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 1.1299999999999999 109.333 179.694 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.523 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.1 ttt-85 -74.0 159.64 32.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 2.8199999999999998 109.862 -179.856 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 80.07 134.83 1.31 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.89 -1.284 . . . . 0.45000000000000001 109.89 179.631 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 58.5 ttt180 -80.96 -49.1 11.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -1.1 . . . . 3.0800000000000001 109.381 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.52 -51.02 71.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 2.54 109.488 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.11 85.51 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.315 -0.866 . . . . 4.1100000000000003 109.299 -179.946 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' A' ' 329' ' ' THR . 42.1 t80 -55.29 -53.05 60.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.47 -0.769 . . . . 0.56999999999999995 109.517 179.977 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -51.42 -34.54 35.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 1.6599999999999999 109.815 -179.844 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.62 -50.52 70.92 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.245 -0.909 . . . . 1.29 109.981 -179.517 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -60.74 -54.67 42.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.914 . . . . 0.40000000000000002 109.223 -179.927 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.98 -34.37 28.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 3.8500000000000001 109.507 179.835 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.35 -49.06 79.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 1.78 109.418 -179.86 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.14 -34.82 75.6 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.312 -0.868 . . . . 1.1699999999999999 108.846 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -59.23 -53.26 60.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.469 -0.769 . . . . 1.2 109.713 179.742 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.65 -33.24 74.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -0.811 . . . . 2.1200000000000001 110.056 -179.544 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -53.31 59.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.142 -0.974 . . . . 1.0700000000000001 110.12 -179.65 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.88 -43.52 98.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 1.1399999999999999 109.731 -179.494 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -35.19 73.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 2.0899999999999999 109.556 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.3 tt -65.81 -40.86 92.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 1.3799999999999999 109.381 -179.877 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 34.6 ttmt -62.17 -48.24 80.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 2.6800000000000002 108.888 179.768 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.09 -34.46 68.33 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.597 -0.689 . . . . 1.3400000000000001 109.63 179.598 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 1.3 109.852 -179.705 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.463 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 8.7 mt-30 -82.78 -9.98 59.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 1.8 109.572 -179.913 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -45.9 57.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 1.47 109.63 179.914 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 16.99 35.51 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.147 -1.181 . . . . 1.6599999999999999 110.147 -179.623 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -85.22 141.88 29.82 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.017 -1.284 . . . . 4.7800000000000002 109.638 -179.843 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.07 106.5 0.61 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 6.1900000000000004 109.397 -179.986 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 2.9 Cg_endo -60.83 133.44 47.84 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.019 1.813 . . . . 6.1799999999999997 110.248 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.939 -1.478 . . . . 6.9000000000000004 109.546 -179.979 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.467 -0.568 . . . . 7.6900000000000004 109.467 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 61.99 24.85 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 7.4500000000000002 109.596 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.24 81.46 0.26 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 6.8399999999999999 109.468 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.46 80.79 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.385 2.057 . . . . 5.1200000000000001 110.599 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.01 24.4 1.82 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.266 -0.896 . . . . 4.6600000000000001 109.699 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.49 -154.92 0.06 Allowed 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.364 -0.835 . . . . 2.46 109.962 -179.285 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 153.48 52.93 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.957 -1.257 . . . . 1.0800000000000001 109.957 -179.454 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -59.62 147.18 38.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.431 -1.04 . . . . 1.6699999999999999 109.506 179.928 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 51.3 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 1.01 109.374 179.791 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 69.8 m-85 -138.11 -168.29 2.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.63 109.504 -179.901 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 19.5 p -153.21 162.64 41.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 1.1299999999999999 109.615 -179.748 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 329' ' ' THR . 23.9 tp -150.03 133.11 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 109.361 179.992 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -86.61 126.31 34.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 109.744 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.2 mt -124.06 116.53 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 1.1499999999999999 109.326 179.72 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 2.1 ttt-85 -74.08 159.66 32.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 2.77 109.861 -179.859 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 80.2 134.73 1.33 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.86 -1.296 . . . . 0.42999999999999999 109.86 179.6 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 58.5 ttt180 -81.01 -49.0 11.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 3.1200000000000001 109.388 179.805 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.58 -51.07 71.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.398 -0.814 . . . . 2.2200000000000002 109.416 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.1 85.47 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 3.5 109.23 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.1 t80 -55.3 -53.04 61.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.5 109.515 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.43 -34.51 35.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.318 -0.864 . . . . 1.6899999999999999 109.779 -179.835 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.67 -50.56 70.67 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.166 -0.959 . . . . 1.1399999999999999 109.882 -179.476 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -60.72 -54.68 42.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.32000000000000001 109.213 -179.915 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.01 -34.4 29.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.365 -0.834 . . . . 2.96 109.483 179.879 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.32 -49.03 79.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 1.75 109.477 -179.912 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.15 -34.78 75.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.358 -0.839 . . . . 1.0800000000000001 108.846 179.683 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.27 -53.28 60.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.483 -0.76 . . . . 1.22 109.713 179.759 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.374 -0.829 . . . . 1.73 110.092 -179.542 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.63 -53.25 59.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 110.077 -179.584 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.0 mt -60.83 -43.52 98.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 1.1100000000000001 109.747 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.53 -35.3 73.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -0.929 . . . . 1.9099999999999999 109.573 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' D' ' 350' ' ' LEU . 1.3 tt -65.62 -41.0 93.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.281 -0.887 . . . . 1.1699999999999999 109.417 -179.914 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.489 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -62.09 -48.31 80.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.842 . . . . 2.1499999999999999 108.942 179.734 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.06 -34.5 68.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.467 -0.771 . . . . 1.4399999999999999 109.627 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.37 69.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 1.3 109.84 -179.716 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' D' ' 357' ' ' LYS . 8.6 mt-30 -82.77 -10.04 59.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.128 -0.983 . . . . 1.3999999999999999 109.476 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.83 57.88 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 1.6000000000000001 109.662 179.915 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 17.09 35.54 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.113 -1.195 . . . . 1.5 110.113 -179.617 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -85.29 141.86 29.78 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.071 -1.252 . . . . 4.5499999999999998 109.622 -179.865 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.0 106.48 0.61 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 5.6699999999999999 109.454 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.9 Cg_endo -60.81 133.45 47.96 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 121.998 1.799 . . . . 6.1200000000000001 110.249 -179.962 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.962 -1.465 . . . . 7.2699999999999996 109.562 179.962 . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.429 -0.582 . . . . 7.6600000000000001 109.429 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.28 94.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 7.5099999999999998 109.71 179.885 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.466 ' O ' HD22 ' A' ' 323' ' ' LEU . 16.7 mttm 57.65 89.1 0.11 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 6.8099999999999996 109.516 179.761 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.88 81.28 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.299 1.999 . . . . 5.1500000000000004 110.584 179.995 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.514 ' N ' HD21 ' A' ' 323' ' ' LEU . 4.6 mm? -83.71 17.22 2.35 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 4.7000000000000002 109.935 179.564 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.2 -170.74 1.8 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.018 . . . . 2.48 109.567 -179.674 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 163.41 48.86 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.658 -1.377 . . . . 1.0800000000000001 109.658 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.64 142.24 50.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -1.131 . . . . 1.7 109.449 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 54.2 m-85 -93.28 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.355 -0.841 . . . . 1.04 109.468 179.955 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.8 m-85 -138.44 -163.97 1.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.65000000000000002 109.424 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 22.4 p -154.41 161.16 41.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.113 -0.992 . . . . 1.1399999999999999 109.698 -179.859 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.0 tp -149.01 132.93 17.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 1.0900000000000001 109.365 179.97 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.436 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 34.3 tt0 -85.66 134.33 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 1.3700000000000001 109.711 -179.921 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -123.93 119.96 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.915 . . . . 1.1499999999999999 109.464 179.839 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.69 45.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 2.79 109.756 -179.906 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.23 138.52 4.44 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.89 -1.284 . . . . 0.45000000000000001 109.89 179.626 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.53 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.9 ttp180 -81.22 -47.11 13.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -1.088 . . . . 3.1600000000000001 109.317 179.707 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 337' ' ' ARG . 16.4 pt-20 -58.52 -47.83 82.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 2.2200000000000002 109.383 179.896 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 336' ' ' GLU . 1.8 ttm180 -61.47 -39.95 92.75 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.409 -0.807 . . . . 3.54 109.496 179.797 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.2 t80 -54.9 -54.77 38.33 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.378 -0.826 . . . . 0.5 109.597 -179.895 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.65 -34.52 38.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -0.821 . . . . 1.6599999999999999 109.773 -179.823 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.89 -50.31 69.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.248 -0.908 . . . . 1.1499999999999999 110.229 -179.514 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.78 -52.47 64.94 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.276 -0.89 . . . . 0.34000000000000002 109.338 -179.818 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.417 ' HA ' HD23 ' C' ' 330' ' ' LEU . 24.2 ttp180 -51.35 -37.11 46.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.364 -0.835 . . . . 2.9399999999999999 109.734 179.875 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 1.74 109.764 -179.72 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.15 -32.76 72.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 108.914 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -58.79 -54.81 42.92 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.419 -0.801 . . . . 1.22 109.386 179.53 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.32 -30.78 71.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.429 -0.794 . . . . 1.72 109.869 -179.916 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.08 -55.58 32.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 110.048 -179.54 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.04 -42.09 97.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -0.854 . . . . 1.0800000000000001 109.479 -179.737 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.16 -34.7 72.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 1.9099999999999999 109.507 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.456 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 17.1 tp -65.2 -42.04 93.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.833 . . . . 1.1499999999999999 109.235 179.862 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -50.17 73.72 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.768 0.794 . . . . 2.1400000000000001 108.881 179.519 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -30.3 67.76 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 1.4299999999999999 109.623 179.61 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.33 69.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 1.3 109.432 -179.764 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.403 ' NE2' HD12 ' B' ' 350' ' ' LEU . 1.2 mt-30 -82.79 -57.48 3.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.866 . . . . 1.4199999999999999 109.379 179.722 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.99 -3.54 20.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 1.5800000000000001 109.659 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 4.93 84.62 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.562 -1.415 . . . . 1.54 109.562 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 119.47 26.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.117 -1.226 . . . . 4.5499999999999998 109.657 -179.84 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.66 111.72 2.42 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 5.71 109.575 179.948 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.13 133.1 45.04 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.1 1.866 . . . . 6.0899999999999999 110.309 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 CA-C-O 118.015 -1.436 . . . . 7.2400000000000002 109.516 179.937 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.464 -0.569 . . . . 7.6699999999999999 109.464 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.27 94.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 7.46 109.753 179.815 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.47 ' O ' HD22 ' B' ' 323' ' ' LEU . 16.7 mttm 57.71 89.02 0.11 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.874 . . . . 6.79 109.609 179.843 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.77 81.32 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.395 2.063 . . . . 5.1500000000000004 110.524 -179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.511 ' N ' HD21 ' B' ' 323' ' ' LEU . 4.6 mm? -83.78 17.17 2.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 4.6600000000000001 109.905 179.553 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -77.09 -170.87 1.81 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.189 -0.945 . . . . 2.4700000000000002 109.569 -179.696 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.15 163.37 48.3 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.64 -1.384 . . . . 1.0600000000000001 109.64 -179.857 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.67 142.25 50.25 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.205 -1.174 . . . . 1.6100000000000001 109.519 179.924 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -93.25 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.324 -0.86 . . . . 0.96999999999999997 109.498 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.41 -163.93 1.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.59999999999999998 109.389 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 22.3 p -154.57 161.09 41.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 1.1000000000000001 109.647 -179.896 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.2 tp -148.91 133.05 17.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.342 -179.938 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 34.3 tt0 -85.76 134.3 33.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.3600000000000001 109.684 -179.868 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 53.3 mt -123.85 119.86 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 1.1699999999999999 109.531 179.851 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.7 45.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 2.79 109.743 -179.897 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.07 138.57 4.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.906 -1.277 . . . . 0.47999999999999998 109.906 179.67 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.0 ttp180 -81.22 -47.05 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -1.111 . . . . 3.2200000000000002 109.347 179.764 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.58 -47.72 83.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.21 109.393 179.858 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.59 -39.98 93.12 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.349 -0.844 . . . . 3.5499999999999998 109.395 179.874 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' O ' ' D' ' 329' ' ' THR . 36.8 t80 -54.88 -54.79 37.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 0.52000000000000002 109.546 -179.907 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.68 -34.42 38.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.6799999999999999 109.806 -179.783 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.94 -50.24 69.45 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.226 -0.921 . . . . 1.1499999999999999 110.204 -179.487 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -60.86 -52.44 65.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.955 . . . . 0.33000000000000002 109.37 -179.817 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -51.42 -37.0 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 3.02 109.742 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.57 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.121 -0.987 . . . . 1.75 109.776 -179.806 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.14 -32.72 72.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 108.945 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -58.78 -54.78 43.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.381 -0.824 . . . . 1.21 109.344 179.494 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.48 -30.69 71.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.456 -0.778 . . . . 1.6899999999999999 109.828 -179.809 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.11 -55.52 32.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 1.0600000000000001 109.995 -179.536 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -42.04 97.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 109.374 -179.619 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.17 -34.66 72.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 1.9299999999999999 109.524 179.889 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.456 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 17.1 tp -65.3 -42.0 93.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 1.1399999999999999 109.22 179.861 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -50.25 73.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 2.1899999999999999 108.859 179.486 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.3 67.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.691 -0.631 . . . . 1.4299999999999999 109.569 179.634 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.31 69.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.347 -0.846 . . . . 1.3100000000000001 109.322 -179.646 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.4 ' NE2' HD12 ' A' ' 350' ' ' LEU . 1.2 mt-30 -82.71 -57.45 3.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.239 -0.913 . . . . 1.3999999999999999 109.439 179.702 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.97 -3.61 20.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.873 . . . . 1.5700000000000001 109.736 179.989 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.93 4.94 84.36 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.685 -1.366 . . . . 1.53 109.685 179.91 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 119.48 26.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.132 -1.217 . . . . 4.5800000000000001 109.616 -179.825 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.74 111.83 2.51 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 5.6799999999999997 109.65 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -61.12 133.06 44.81 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.013 1.809 . . . . 6.0499999999999998 110.252 -179.975 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.49 -1.444 . . . . 7.2000000000000002 109.49 179.916 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.41 -0.589 . . . . 9.2200000000000006 109.41 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.21 94.97 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.221 -0.925 . . . . 8.5099999999999998 109.666 179.822 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.469 ' O ' HD22 ' C' ' 323' ' ' LEU . 16.7 mttm 57.67 89.1 0.11 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 7.4199999999999999 109.489 179.721 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.8 81.21 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.382 2.054 . . . . 5.0499999999999998 110.534 -179.993 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.503 ' N ' HD21 ' C' ' 323' ' ' LEU . 4.6 mm? -83.67 17.18 2.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.132 -0.98 . . . . 5.1399999999999997 109.844 179.576 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -77.11 -170.78 1.79 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.12 -0.987 . . . . 2.8500000000000001 109.531 -179.686 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 163.49 48.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.661 -1.376 . . . . 1.27 109.661 -179.862 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.69 142.34 50.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -1.09 . . . . 2.1099999999999999 109.467 -180.0 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -93.45 158.77 15.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 1.01 109.451 179.943 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.38 -164.0 1.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 0.57999999999999996 109.37 -179.827 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 22.5 p -154.44 161.15 41.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -0.988 . . . . 1.1599999999999999 109.71 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.3 tp -149.01 133.02 17.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 1.1699999999999999 109.333 179.975 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 34.4 tt0 -85.67 134.33 33.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.8100000000000001 109.745 -179.963 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 53.1 mt -123.88 119.83 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 1.1299999999999999 109.494 179.879 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.08 146.72 45.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 2.8199999999999998 109.745 -179.945 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.474 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.0 138.52 4.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.961 -1.256 . . . . 0.45000000000000001 109.961 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.8 ttp180 -81.15 -47.11 13.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -1.088 . . . . 3.0800000000000001 109.377 179.696 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.51 -47.94 82.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.386 -0.821 . . . . 2.54 109.333 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.45 -39.88 92.46 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.399 -0.813 . . . . 4.1100000000000003 109.476 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' A' ' 329' ' ' THR . 36.6 t80 -54.98 -54.69 39.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.56999999999999995 109.544 -179.881 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -51.77 -34.44 39.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 1.6599999999999999 109.736 -179.781 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.93 -50.26 69.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.174 -0.953 . . . . 1.29 110.257 -179.511 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -60.89 -52.37 65.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 109.317 -179.876 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.409 ' HA ' HD23 ' A' ' 330' ' ' LEU . 24.3 ttp180 -51.46 -37.08 47.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.344 -0.847 . . . . 3.8500000000000001 109.726 179.909 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.46 77.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.78 109.788 -179.684 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.13 -32.8 72.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.251 -0.906 . . . . 1.1699999999999999 108.881 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -58.83 -54.67 44.48 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.437 -0.789 . . . . 1.2 109.381 179.641 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.36 -30.85 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.302 -0.874 . . . . 2.1200000000000001 109.851 -179.928 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.57 32.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 110.062 -179.571 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -41.94 97.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 1.1399999999999999 109.493 -179.673 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.23 -34.67 72.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.243 -0.91 . . . . 2.0899999999999999 109.436 179.845 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.9 tp -65.29 -41.99 93.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 1.3799999999999999 109.2 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.18 73.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.851 . . . . 2.6800000000000002 108.802 179.541 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.24 67.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.576 -0.703 . . . . 1.3400000000000001 109.638 179.574 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.56 -29.42 70.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 1.3 109.369 -179.743 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.413 ' NE2' HD12 ' D' ' 350' ' ' LEU . 1.2 mt-30 -82.72 -57.47 3.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.369 -0.832 . . . . 1.8 109.39 179.759 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.01 -3.45 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.296 -0.878 . . . . 1.47 109.726 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.87 4.76 84.54 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.643 -1.383 . . . . 1.6599999999999999 109.643 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 119.52 26.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -1.196 . . . . 4.7800000000000002 109.623 -179.779 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.71 111.72 2.43 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 6.1900000000000004 109.565 179.98 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.08 133.12 45.28 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.986 1.791 . . . . 6.1799999999999997 110.353 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 N-CA-C 109.46 -1.456 . . . . 6.9000000000000004 109.46 179.984 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.341 -0.614 . . . . 7.6900000000000004 109.341 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.3 95.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 7.4500000000000002 109.682 179.916 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.474 ' O ' HD22 ' D' ' 323' ' ' LEU . 16.7 mttm 57.63 89.08 0.11 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 6.8399999999999999 109.589 179.812 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.8 81.24 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.375 2.05 . . . . 5.1200000000000001 110.567 -179.988 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.508 ' N ' HD21 ' D' ' 323' ' ' LEU . 4.6 mm? -83.68 17.13 2.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.11 -0.994 . . . . 4.6600000000000001 109.978 179.555 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.04 -170.78 1.77 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 2.46 109.66 -179.7 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 163.4 49.05 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.691 -1.363 . . . . 1.0800000000000001 109.691 -179.873 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.62 142.28 49.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -1.155 . . . . 1.6699999999999999 109.475 -179.888 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -93.34 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 1.01 109.424 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.7 m-85 -138.48 -163.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.63 109.39 -179.897 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 22.5 p -154.5 161.03 41.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.04 -1.037 . . . . 1.1299999999999999 109.724 -179.822 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -148.98 133.01 17.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.324 -0.86 . . . . 1.1000000000000001 109.362 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 34.2 tt0 -85.84 134.43 33.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.3700000000000001 109.587 -179.739 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.93 119.72 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.341 -0.849 . . . . 1.1499999999999999 109.482 179.928 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.1 146.72 45.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 2.77 109.722 -179.943 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.18 138.37 4.36 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.947 -1.261 . . . . 0.42999999999999999 109.947 179.644 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.9 ttp180 -81.06 -47.09 14.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.297 -1.12 . . . . 3.1200000000000001 109.371 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.59 -47.67 83.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 2.2200000000000002 109.372 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -61.69 -39.79 92.68 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.24 -0.912 . . . . 3.5 109.464 179.884 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 37.3 t80 -54.99 -54.75 38.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.368 -0.833 . . . . 0.5 109.627 -179.988 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.57 -34.52 37.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 1.6899999999999999 109.843 -179.892 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.88 -50.3 69.31 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.207 -0.933 . . . . 1.1399999999999999 110.208 -179.458 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -60.91 -52.37 65.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.32000000000000001 109.351 -179.771 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -51.37 -37.13 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.443 -0.785 . . . . 2.96 109.741 179.788 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.07 -49.56 77.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.167 -0.958 . . . . 1.75 109.732 -179.709 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.0 -32.85 72.42 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 108.962 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -58.8 -54.7 44.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.427 -0.796 . . . . 1.22 109.395 179.55 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.41 -30.83 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 1.73 109.849 -179.903 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.55 32.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 110.08 -179.569 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.23 -41.96 97.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.939 . . . . 1.1100000000000001 109.411 -179.667 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.2 -34.71 72.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.873 . . . . 1.9099999999999999 109.444 179.902 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.498 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 17.1 tp -65.3 -41.95 93.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.28 -0.887 . . . . 1.1699999999999999 109.159 179.929 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.22 73.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 2.1499999999999999 108.764 179.528 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.97 -30.12 67.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.639 -0.663 . . . . 1.4399999999999999 109.636 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.71 -29.35 69.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 1.3 109.302 -179.717 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.62 -57.61 3.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.896 . . . . 1.3999999999999999 109.441 179.675 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.9 -3.49 19.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 1.6000000000000001 109.844 179.967 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.88 4.82 84.46 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.677 -1.369 . . . . 1.5 109.677 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 119.47 26.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -1.175 . . . . 4.5499999999999998 109.627 -179.812 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.68 111.74 2.43 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.885 . . . . 5.6699999999999999 109.622 179.898 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.09 133.07 44.96 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.133 1.889 . . . . 6.1200000000000001 110.287 179.979 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 118.0 -1.444 . . . . 7.2699999999999996 109.515 180.0 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.396 -0.594 . . . . 7.6600000000000001 109.396 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.06 91.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 7.5099999999999998 109.593 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.54 68.27 1.38 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 6.8099999999999996 109.622 179.888 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.14 168.59 5.91 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.182 1.921 . . . . 5.1500000000000004 110.138 179.849 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.53 103.63 10.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.909 . . . . 4.7000000000000002 109.571 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.46 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -81.27 160.95 24.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.356 -0.84 . . . . 2.48 109.335 179.754 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 176.9 27.57 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.734 -1.346 . . . . 1.0800000000000001 109.734 179.975 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.58 142.91 47.87 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.329 -1.101 . . . . 1.7 109.31 179.786 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 24.2 m-85 -93.83 155.96 16.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 1.04 109.834 -179.634 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.2 m-85 -138.75 -169.16 2.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.65000000000000002 109.324 179.892 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 25.0 p -154.01 156.65 37.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 1.1399999999999999 109.645 -179.798 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.7 133.64 18.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 1.0900000000000001 109.544 -179.869 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.04 34.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 1.3700000000000001 109.104 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 341' ' ' PHE . 44.2 mt -123.39 112.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 1.1499999999999999 109.687 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.21 145.74 46.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 2.79 109.371 179.807 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 96.67 136.78 9.12 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.721 -1.352 . . . . 0.45000000000000001 109.721 179.932 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.0 ttm180 -80.25 -56.45 4.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -1.079 . . . . 3.1600000000000001 109.528 179.99 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.31 -42.69 87.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 2.2200000000000002 109.507 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -43.03 95.76 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.283 -0.886 . . . . 3.54 109.447 -179.971 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -55.83 -55.45 32.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.5 109.628 -179.948 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.26 -36.24 30.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.6599999999999999 109.75 -179.768 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.61 -48.45 77.28 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.058 -179.597 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 332' ' ' ILE . 24.7 m-85 -61.14 -55.97 26.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.34000000000000002 109.303 -179.878 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.48 -34.5 25.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.371 -0.831 . . . . 2.9399999999999999 109.495 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.1 -49.72 76.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.165 -0.959 . . . . 1.74 109.585 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.58 -34.33 75.43 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.863 . . . . 1.0700000000000001 108.94 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.36 -54.16 49.92 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.434 -0.791 . . . . 1.22 109.651 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.95 -33.46 75.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.496 -0.752 . . . . 1.72 110.083 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.47 57.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 110.087 -179.546 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.22 -42.59 98.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 1.0800000000000001 109.659 -179.607 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.12 -34.18 73.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 1.9099999999999999 109.716 -179.923 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 351' ' ' LYS . 7.2 tp -64.53 -47.49 78.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.898 . . . . 1.1499999999999999 109.673 -179.802 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.38 -45.48 94.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.785 . . . . 2.1400000000000001 109.19 -179.954 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.07 -30.6 64.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.6 -0.687 . . . . 1.4299999999999999 109.672 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.62 82.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 1.3 110.05 -179.578 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -82.31 -9.69 59.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 1.4199999999999999 109.685 -179.703 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -4.72 34.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.202 -0.936 . . . . 1.5800000000000001 109.652 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.5 -4.98 90.28 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.998 -1.241 . . . . 1.54 109.998 -179.623 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 96.21 10.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.254 . . . . 4.5499999999999998 109.398 179.922 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 1.2 mm-40 -51.64 -57.02 16.05 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 5.71 109.905 -179.858 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 4.4 Cg_exo -59.46 148.18 88.1 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.871 1.714 . . . . 6.0899999999999999 110.29 -179.931 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 118.015 -1.436 . . . . 7.2400000000000002 109.58 -179.842 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.414 -0.587 . . . . 7.6699999999999999 109.414 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.16 91.44 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 7.46 109.605 -179.986 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.62 68.15 1.39 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 6.79 109.681 179.922 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.95 168.64 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.24 1.96 . . . . 5.1500000000000004 110.095 179.913 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.8 mt -80.64 103.73 10.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 4.6600000000000001 109.599 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.459 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -81.36 160.88 24.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 2.4700000000000002 109.361 179.784 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 176.87 26.86 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.705 -1.358 . . . . 1.0600000000000001 109.705 179.969 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.63 142.99 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -1.115 . . . . 1.6100000000000001 109.183 179.791 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.459 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 24.6 m-85 -93.83 156.02 16.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.237 -0.914 . . . . 0.96999999999999997 109.844 -179.715 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.3 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.59999999999999998 109.31 179.843 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.8 p -154.06 156.64 37.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.962 . . . . 1.1000000000000001 109.657 -179.78 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.68 133.54 18.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 1.1000000000000001 109.557 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.41 131.07 34.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 1.3600000000000001 109.188 179.784 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.466 HG22 ' CD2' ' B' ' 341' ' ' PHE . 44.7 mt -123.46 112.1 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 1.1699999999999999 109.65 -179.795 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.24 145.96 45.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.223 -0.923 . . . . 2.79 109.321 179.808 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 96.51 136.83 9.1 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.768 -1.333 . . . . 0.47999999999999998 109.768 179.924 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.0 ttm180 -80.34 -56.52 4.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -1.106 . . . . 3.2200000000000002 109.445 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.19 -43.01 87.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.342 -0.849 . . . . 2.21 109.469 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.69 -43.23 94.13 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.351 -0.843 . . . . 3.5499999999999998 109.485 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.401 ' HA ' HG23 ' B' ' 332' ' ' ILE . 64.8 t80 -55.79 -55.42 32.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.52000000000000002 109.638 -179.973 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -50.39 -36.14 31.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.277 -0.889 . . . . 1.6799999999999999 109.871 -179.774 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.51 -48.44 77.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.341 -0.849 . . . . 1.1499999999999999 110.104 -179.748 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.2 -55.89 27.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.184 -0.948 . . . . 0.33000000000000002 109.367 -179.87 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.49 -34.51 25.37 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.442 -0.787 . . . . 3.02 109.5 179.745 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.09 -49.61 76.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.186 -0.946 . . . . 1.75 109.647 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.7 -34.22 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.912 . . . . 1.0700000000000001 108.885 179.813 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.44 -54.1 50.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.503 -0.748 . . . . 1.21 109.643 179.659 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.04 -33.48 75.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 110.07 -179.51 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.47 57.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.275 -0.89 . . . . 1.0600000000000001 110.003 -179.527 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.16 -42.71 99.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.28 -0.888 . . . . 1.0800000000000001 109.591 -179.552 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.04 -34.22 73.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 1.9299999999999999 109.716 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 tp -64.58 -47.37 78.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 109.71 -179.832 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 350' ' ' LEU . 35.1 ttmt -61.44 -45.51 93.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.361 -0.837 . . . . 2.1899999999999999 109.205 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.49 64.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.476 -0.765 . . . . 1.4299999999999999 109.704 179.735 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.79 81.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.779 . . . . 1.3100000000000001 109.94 -179.56 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.2 -9.83 59.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 1.3999999999999999 109.69 -179.679 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.98 -4.67 33.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 1.5700000000000001 109.712 179.874 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.44 -4.99 90.3 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.019 -1.232 . . . . 1.53 110.019 -179.672 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 96.33 10.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.271 . . . . 4.5800000000000001 109.316 179.966 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.542 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 1.2 mm-40 -51.63 -57.08 15.81 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.878 . . . . 5.6799999999999997 109.949 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.542 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 4.5 Cg_exo -59.35 148.17 87.74 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 121.839 1.693 . . . . 6.0499999999999998 110.223 -179.955 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.96 -1.466 . . . . 7.2000000000000002 109.523 -179.954 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.44 -0.578 . . . . 9.2200000000000006 109.44 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.05 91.59 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.335 -0.853 . . . . 8.5099999999999998 109.549 179.993 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.52 68.21 1.4 Allowed Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 7.4199999999999999 109.698 179.889 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.11 168.69 5.73 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.197 1.931 . . . . 5.0499999999999998 110.023 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.8 mt -80.65 103.72 10.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -0.975 . . . . 5.1399999999999997 109.555 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.465 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 0.9 OUTLIER -81.3 160.95 24.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.372 -0.83 . . . . 2.8500000000000001 109.351 179.735 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 176.73 27.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.766 -1.334 . . . . 1.27 109.766 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.58 142.98 47.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -1.123 . . . . 2.1099999999999999 109.262 179.824 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.465 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 24.0 m-85 -93.89 155.74 17.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 1.01 109.876 -179.645 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.9 m-85 -138.53 -169.02 2.51 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.57999999999999996 109.352 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.8 p -154.13 156.56 37.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.038 -1.039 . . . . 1.1599999999999999 109.605 -179.785 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.61 133.63 18.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.374 -0.829 . . . . 1.1699999999999999 109.537 -179.815 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.06 34.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.234 -0.916 . . . . 1.8100000000000001 109.145 179.838 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.459 HG22 ' CD2' ' C' ' 341' ' ' PHE . 44.3 mt -123.43 112.02 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.949 . . . . 1.1299999999999999 109.697 -179.855 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.02 145.81 46.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 2.8199999999999998 109.372 179.724 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.401 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 96.63 136.8 9.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.68 -1.368 . . . . 0.45000000000000001 109.68 179.831 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.0 ttm180 -80.37 -56.39 4.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -1.124 . . . . 3.0800000000000001 109.509 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.21 -42.96 87.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.275 -0.89 . . . . 2.54 109.461 179.927 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.79 -43.18 94.54 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.252 -0.905 . . . . 4.1100000000000003 109.489 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.9 t80 -55.66 -55.5 31.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.56999999999999995 109.658 -179.966 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.4 -36.2 31.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 109.795 -179.739 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.42 -48.59 77.17 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.239 -0.913 . . . . 1.29 110.098 -179.714 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.459 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.4 m-85 -61.08 -56.07 25.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.40000000000000002 109.279 -179.825 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.36 -34.63 24.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.404 -0.81 . . . . 3.8500000000000001 109.509 179.743 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.96 -49.78 76.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.068 -1.02 . . . . 1.78 109.621 -179.92 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.52 -34.37 75.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.885 . . . . 1.1699999999999999 108.92 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.3 -54.14 50.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.2 109.718 179.693 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.0 -33.43 75.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.424 -0.797 . . . . 2.1200000000000001 110.119 -179.556 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.98 -53.54 56.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.94 -179.549 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 109.669 -179.535 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.05 -34.19 73.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.218 -0.926 . . . . 2.0899999999999999 109.73 -179.975 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.3 tp -64.57 -47.4 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 1.3799999999999999 109.657 -179.787 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HA ' HD23 ' D' ' 350' ' ' LEU . 35.1 ttmt -61.44 -45.49 94.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 2.6800000000000002 109.171 -179.918 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.59 64.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.523 -0.736 . . . . 1.3400000000000001 109.613 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.38 -44.74 82.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 1.3 109.952 -179.489 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.25 -9.76 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 1.8 109.682 -179.696 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.02 -4.72 34.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 1.47 109.635 179.931 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.49 -4.99 90.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.074 -1.21 . . . . 1.6599999999999999 110.074 -179.616 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.52 96.26 10.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.115 -1.226 . . . . 4.7800000000000002 109.411 179.913 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.531 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 1.2 mm-40 -51.62 -57.05 15.9 Favored Pre-proline 0 N--CA 1.488 1.464 0 O-C-N 121.255 -0.903 . . . . 6.1900000000000004 109.916 -179.876 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 4.5 Cg_exo -59.48 148.17 88.22 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 121.767 1.644 . . . . 6.1799999999999997 110.221 -179.915 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.439 -1.464 . . . . 6.9000000000000004 109.439 -179.966 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.411 -0.588 . . . . 7.6900000000000004 109.411 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.16 91.49 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 7.4500000000000002 109.553 179.974 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.52 68.26 1.39 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 6.8399999999999999 109.624 179.896 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -60.05 168.62 5.75 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.147 1.898 . . . . 5.1200000000000001 110.17 179.855 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 31.5 mt -80.58 103.63 10.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.139 -0.976 . . . . 4.6600000000000001 109.655 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.458 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 0.9 OUTLIER -81.24 160.99 24.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.443 -0.786 . . . . 2.46 109.393 179.78 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 176.79 27.69 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.733 -1.347 . . . . 1.0800000000000001 109.733 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.44 143.01 46.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -1.185 . . . . 1.6699999999999999 109.179 179.827 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.458 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 24.3 m-85 -93.94 155.97 16.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.205 -0.934 . . . . 1.01 109.703 -179.678 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.2 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.353 -0.842 . . . . 0.63 109.337 179.816 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -154.04 156.77 37.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.129 -0.982 . . . . 1.1299999999999999 109.657 -179.864 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.74 133.55 17.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 1.1000000000000001 109.561 -179.753 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.53 130.94 34.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 1.3700000000000001 109.135 179.868 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' D' ' 341' ' ' PHE . 44.0 mt -123.29 112.04 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 1.1499999999999999 109.683 -179.813 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 145.85 46.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 2.77 109.41 179.755 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.64 136.7 9.08 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.674 -1.37 . . . . 0.42999999999999999 109.674 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.0 ttm180 -80.29 -56.34 4.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 3.1200000000000001 109.569 179.88 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.29 -42.91 87.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 2.2200000000000002 109.42 179.951 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.91 -43.07 95.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.246 -0.908 . . . . 3.5 109.467 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.404 ' HA ' HG23 ' D' ' 332' ' ' ILE . 64.5 t80 -55.91 -55.3 34.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.5 109.677 -179.969 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.33 -36.22 31.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 109.777 -179.837 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.59 -48.46 77.28 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.119 -0.988 . . . . 1.1399999999999999 110.041 -179.592 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CD2' HG22 ' D' ' 332' ' ' ILE . 24.3 m-85 -61.1 -56.02 25.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.187 -0.945 . . . . 0.32000000000000001 109.324 -179.834 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.42 -34.56 24.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.443 -0.785 . . . . 2.96 109.446 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.04 -49.74 76.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.112 -0.992 . . . . 1.75 109.547 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.57 -34.42 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 1.0800000000000001 108.938 179.794 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.27 -54.18 49.8 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -0.789 . . . . 1.22 109.684 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.94 -33.4 75.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.368 -0.832 . . . . 1.73 110.096 -179.569 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.5 57.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 1.0700000000000001 110.038 -179.559 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.2 -42.55 98.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 1.1100000000000001 109.671 -179.573 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.19 -34.12 73.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 1.9099999999999999 109.695 -179.922 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' C' ' 351' ' ' LYS . 7.3 tp -64.68 -47.39 78.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 1.1699999999999999 109.676 -179.776 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -61.32 -45.53 94.07 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.438 -0.789 . . . . 2.1499999999999999 109.176 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.19 -30.5 64.58 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.521 -0.737 . . . . 1.4399999999999999 109.649 179.836 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.74 82.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 1.3 110.004 -179.599 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -82.25 -9.67 59.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 1.3999999999999999 109.778 -179.785 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.93 -4.77 34.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.134 -0.979 . . . . 1.6000000000000001 109.684 179.8 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.53 -4.91 90.29 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.004 -1.238 . . . . 1.5 110.004 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.57 96.3 10.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -1.223 . . . . 4.5499999999999998 109.414 179.86 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.537 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 1.2 mm-40 -51.76 -56.95 16.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.269 -0.894 . . . . 5.6699999999999999 109.919 -179.877 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.537 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 4.6 Cg_exo -59.51 148.13 88.48 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.909 1.739 . . . . 6.1200000000000001 110.176 -179.899 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.495 -1.442 . . . . 7.2699999999999996 109.495 -179.923 . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' HB3' ' HG3' ' A' ' 322' ' ' PRO . 10.4 mttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.473 -0.565 . . . . 7.6600000000000001 109.473 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.18 56.93 4.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 7.5099999999999998 109.414 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 62.97 77.3 0.34 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.904 . . . . 6.8099999999999996 109.845 179.836 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.419 ' HG3' ' HB3' ' A' ' 319' ' ' LYS . 2.4 Cg_endo -68.67 -4.73 13.74 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.103 1.869 . . . . 5.1500000000000004 110.15 179.657 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.54 33.99 0.58 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.131 -0.981 . . . . 4.7000000000000002 109.875 179.887 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -78.25 -145.62 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.362 -0.836 . . . . 2.48 109.429 -179.844 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.03 157.53 51.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.421 -1.472 . . . . 1.0800000000000001 109.421 -179.718 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.01 135.42 56.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.204 -1.174 . . . . 1.7 109.561 -179.866 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -92.92 155.08 17.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 1.04 109.449 179.874 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 89.1 m-85 -138.66 -167.46 2.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.291 -0.881 . . . . 0.65000000000000002 109.711 -179.717 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.3 p -152.74 157.41 40.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.1399999999999999 109.384 -179.865 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.401 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 11.0 tp -149.48 132.93 16.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 1.0900000000000001 109.696 -179.799 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.347 -0.846 . . . . 1.3700000000000001 109.111 179.682 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.77 113.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.16 -0.962 . . . . 1.1499999999999999 109.889 -179.742 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -73.98 149.62 41.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 2.79 109.563 179.746 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.16 136.7 9.2 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.836 -1.306 . . . . 0.45000000000000001 109.836 179.638 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.9 ttt180 -77.8 -61.96 1.83 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.324 -1.104 . . . . 3.1600000000000001 109.37 179.787 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -39.58 78.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.316 -0.865 . . . . 2.2200000000000002 109.282 179.802 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.1 87.43 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.263 -0.898 . . . . 3.54 109.577 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.17 -55.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.448 -0.782 . . . . 0.5 109.713 -179.801 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.0 -35.93 36.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 109.974 -179.717 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.5 -49.61 72.9 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.316 -179.326 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.74 -49.75 76.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.151 -0.968 . . . . 0.34000000000000002 109.449 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.51 -41.96 61.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.279 -0.888 . . . . 2.9399999999999999 109.82 179.889 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -43.38 98.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.172 -0.955 . . . . 1.74 110.15 -179.55 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.04 -42.46 99.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.092 -1.005 . . . . 1.0700000000000001 109.475 -179.733 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.4 -50.79 72.43 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.22 109.549 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.14 -30.17 70.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.21 -0.931 . . . . 1.72 109.786 -179.936 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.71 52.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 1.0700000000000001 109.994 -179.651 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.0 -42.31 98.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.0800000000000001 109.662 -179.566 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.66 -36.89 77.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.731 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.6 tt -64.35 -44.73 90.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 1.1499999999999999 109.262 -179.815 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.38 -37.2 82.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.402 -0.811 . . . . 2.1400000000000001 108.82 179.613 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -57.11 -32.69 66.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.513 -0.742 . . . . 1.4299999999999999 109.285 179.568 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.68 -49.31 66.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.323 -0.861 . . . . 1.3 109.417 179.999 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.84 1.15 31.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.534 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.05 -78.06 0.08 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.116 -0.99 . . . . 1.5800000000000001 109.901 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.57 13.29 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 120.292 -0.956 . . . . 1.54 110.796 -179.39 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 0.1 OUTLIER -84.58 133.06 34.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.788 -1.419 . . . . 4.5499999999999998 109.369 179.872 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -48.34 108.16 0.88 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.26 -0.9 . . . . 5.71 109.55 -179.888 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 4.0 Cg_exo -60.0 130.31 34.07 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.06 1.84 . . . . 6.0899999999999999 110.38 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.996 -1.447 . . . . 7.2400000000000002 109.612 179.996 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.419 ' HB3' ' HG3' ' B' ' 322' ' ' PRO . 10.5 mttp . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.507 -0.553 . . . . 7.6699999999999999 109.507 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.07 56.97 4.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 7.46 109.504 -179.988 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 62.91 77.27 0.34 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.363 -0.835 . . . . 6.79 109.873 179.903 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.419 ' HG3' ' HB3' ' B' ' 319' ' ' LYS . 2.5 Cg_endo -68.51 -4.82 13.76 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.002 1.801 . . . . 5.1500000000000004 110.289 179.558 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.42 34.04 0.57 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.125 -0.984 . . . . 4.6600000000000001 109.947 179.879 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -78.34 -146.13 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.359 -0.838 . . . . 2.4700000000000002 109.364 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.25 157.5 49.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.547 -1.421 . . . . 1.0600000000000001 109.547 -179.838 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.05 135.45 56.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -1.128 . . . . 1.6100000000000001 109.55 179.953 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -92.99 154.96 17.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.96999999999999997 109.39 179.896 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 88.6 m-85 -138.57 -167.49 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.59999999999999998 109.645 -179.755 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -152.71 157.36 40.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 1.1000000000000001 109.339 -179.794 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' D' ' 329' ' ' THR . 11.0 tp -149.44 133.0 16.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.237 -0.915 . . . . 1.1000000000000001 109.727 -179.862 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -86.63 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 1.3600000000000001 109.007 179.695 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' B' ' 341' ' ' PHE . 45.2 mt -123.88 113.94 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 1.1699999999999999 109.823 -179.791 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -74.01 149.65 41.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 2.79 109.507 179.765 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.08 136.63 9.16 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.973 -1.251 . . . . 0.47999999999999998 109.973 179.679 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.66 -62.07 1.78 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.129 . . . . 3.2200000000000002 109.316 179.837 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -39.47 78.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 2.21 109.298 179.935 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.14 87.28 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.323 -0.861 . . . . 3.5499999999999998 109.617 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.1 -55.87 26.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.825 . . . . 0.52000000000000002 109.703 -179.833 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.94 -35.97 36.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.6799999999999999 110.019 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.74 72.7 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.176 -0.953 . . . . 1.1499999999999999 110.303 -179.344 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' B' ' 332' ' ' ILE . 32.0 m-85 -60.83 -49.6 76.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.33000000000000002 109.416 -179.655 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.52 -41.99 61.42 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.36 -0.837 . . . . 3.02 109.846 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.14 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.882 . . . . 1.75 110.081 -179.458 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.97 -42.59 99.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.08 -1.013 . . . . 1.0700000000000001 109.514 -179.772 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.21 -50.88 71.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.32 -0.863 . . . . 1.21 109.574 179.849 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.34 -30.03 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 1.6899999999999999 109.655 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.69 53.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.0600000000000001 110.074 -179.691 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.04 -42.29 98.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 1.0800000000000001 109.599 -179.597 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.65 -36.76 77.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.398 -0.814 . . . . 1.9299999999999999 109.838 -179.885 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.6 tt -64.36 -44.73 90.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 1.1399999999999999 109.316 -179.938 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.41 -37.26 82.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 2.1899999999999999 108.725 179.625 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -57.1 -32.67 66.54 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.526 -0.734 . . . . 1.4299999999999999 109.311 179.563 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.61 -49.41 66.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 1.3100000000000001 109.479 179.923 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.83 1.24 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.857 . . . . 1.3999999999999999 109.635 179.899 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.09 -78.13 0.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.159 -0.963 . . . . 1.5700000000000001 109.866 -179.876 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.67 12.85 Favored Glycine 0 N--CA 1.494 2.519 0 C-N-CA 120.304 -0.95 . . . . 1.53 110.795 -179.421 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 0.1 OUTLIER -84.62 133.01 34.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.821 -1.399 . . . . 4.5800000000000001 109.366 179.873 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -48.27 107.99 0.85 Allowed Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.212 -0.93 . . . . 5.6799999999999997 109.553 -179.917 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 4.1 Cg_exo -59.88 130.25 34.01 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.075 1.85 . . . . 6.0499999999999998 110.353 -179.869 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.509 -1.436 . . . . 7.2000000000000002 109.509 179.904 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' C' ' 322' ' ' PRO . 10.4 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.467 -0.568 . . . . 9.2200000000000006 109.467 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.17 56.89 4.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 8.5099999999999998 109.457 179.939 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 62.95 77.26 0.34 Allowed Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 7.4199999999999999 109.872 179.871 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' C' ' 319' ' ' LYS . 2.5 Cg_endo -68.51 -4.83 13.79 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.063 1.842 . . . . 5.0499999999999998 110.237 179.605 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.43 34.12 0.57 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.23 -0.919 . . . . 5.1399999999999997 109.929 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.35 -145.83 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.318 -0.864 . . . . 2.8500000000000001 109.396 -179.845 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.78 157.56 50.65 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.572 -1.411 . . . . 1.27 109.572 -179.811 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.03 135.46 56.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.156 -1.202 . . . . 2.1099999999999999 109.514 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -92.96 155.03 17.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.185 -0.947 . . . . 1.01 109.322 179.962 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 89.0 m-85 -138.72 -167.52 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -0.848 . . . . 0.57999999999999996 109.636 -179.75 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.4 p -152.76 157.26 40.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 1.1599999999999999 109.447 -179.806 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.1 tp -149.35 132.97 16.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 1.1699999999999999 109.678 -179.744 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.82 34.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.8100000000000001 109.059 179.678 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.85 113.9 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 1.1299999999999999 109.835 -179.753 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.95 149.74 41.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.8199999999999998 109.518 179.732 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.03 136.63 9.15 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.905 -1.278 . . . . 0.45000000000000001 109.905 179.583 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt180 -77.65 -61.9 1.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -1.124 . . . . 3.0800000000000001 109.503 179.759 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -39.59 79.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 2.54 109.267 179.813 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -47.18 87.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 4.1100000000000003 109.596 179.992 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -54.92 -55.91 25.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.34 -0.85 . . . . 0.56999999999999995 109.777 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.91 37.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.979 -179.67 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.78 72.55 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.16 -0.962 . . . . 1.29 110.293 -179.42 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -60.78 -49.61 76.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.42 -179.646 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.401 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 8.1 ttm180 -51.61 -41.95 61.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -0.889 . . . . 3.8500000000000001 109.787 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.12 -43.39 98.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 1.78 110.144 -179.57 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.09 -42.53 99.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.213 -0.929 . . . . 1.1699999999999999 109.421 -179.681 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -50.78 72.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 1.2 109.606 179.883 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -62.34 -30.09 70.92 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.385 -0.822 . . . . 2.1200000000000001 109.695 -179.843 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.66 53.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.253 -0.905 . . . . 1.0700000000000001 110.016 -179.649 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.0 -42.29 98.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 1.1399999999999999 109.695 -179.642 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.61 -36.96 77.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 2.0899999999999999 109.749 -179.863 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.5 tt -64.36 -44.76 90.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 1.3799999999999999 109.261 -179.817 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.435 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 16.0 ttmm -61.37 -37.22 82.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.348 -0.845 . . . . 2.6800000000000002 108.75 179.594 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -57.03 -32.68 66.43 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.471 -0.768 . . . . 1.3400000000000001 109.331 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.75 -49.26 66.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.194 -0.941 . . . . 1.3 109.439 179.99 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.85 1.03 32.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 1.8 109.515 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.92 -78.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.157 -0.964 . . . . 1.47 109.923 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.54 13.42 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.788 -0.925 . . . . 1.6599999999999999 110.788 -179.425 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 0.1 OUTLIER -84.57 133.17 34.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.815 -1.403 . . . . 4.7800000000000002 109.389 179.849 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -48.51 108.12 0.88 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 6.1900000000000004 109.477 -179.828 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.89 130.41 34.7 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 121.953 1.769 . . . . 6.1799999999999997 110.354 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 118.062 -1.41 . . . . 6.9000000000000004 109.634 179.941 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.416 ' HB3' ' HG3' ' D' ' 322' ' ' PRO . 10.5 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.393 -0.595 . . . . 7.6900000000000004 109.393 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.13 56.93 4.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 7.4500000000000002 109.476 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 63.01 77.13 0.34 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.841 . . . . 6.8399999999999999 109.874 179.831 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.416 ' HG3' ' HB3' ' D' ' 319' ' ' LYS . 2.5 Cg_endo -68.52 -4.75 13.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.02 1.814 . . . . 5.1200000000000001 110.275 179.622 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.47 34.15 0.58 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.07 -1.019 . . . . 4.6600000000000001 109.98 179.745 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.37 -146.01 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.219 -0.926 . . . . 2.46 109.363 -179.856 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.57 157.58 50.1 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.59 -1.404 . . . . 1.0800000000000001 109.59 -179.802 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.07 135.48 57.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.111 . . . . 1.6699999999999999 109.511 -179.86 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -93.07 154.98 17.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -0.966 . . . . 1.01 109.376 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -138.54 -167.55 2.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.63 109.704 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.5 p -152.63 157.47 41.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 1.1299999999999999 109.447 -179.87 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.53 132.92 16.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.942 . . . . 1.1000000000000001 109.686 -179.817 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.53 129.97 34.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.81 . . . . 1.3700000000000001 109.071 179.629 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.403 HD11 ' HB2' ' D' ' 341' ' ' PHE . 45.2 mt -123.93 113.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 1.1499999999999999 109.826 -179.743 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.99 149.66 41.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.821 . . . . 2.77 109.475 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 136.68 9.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.911 -1.276 . . . . 0.42999999999999999 109.911 179.565 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.9 ttt180 -77.71 -62.02 1.8 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -1.161 . . . . 3.1200000000000001 109.375 179.822 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -39.45 78.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.852 . . . . 2.2200000000000002 109.304 179.89 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -47.05 87.66 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.238 -0.914 . . . . 3.5 109.614 179.921 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.1 -55.84 26.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.429 -0.795 . . . . 0.5 109.691 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.89 37.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 110.009 -179.661 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.41 -49.72 72.65 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.111 -0.993 . . . . 1.1399999999999999 110.308 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.403 ' HB2' HD11 ' D' ' 332' ' ' ILE . 32.3 m-85 -60.82 -49.54 77.07 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.241 -0.912 . . . . 0.32000000000000001 109.492 -179.709 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.54 -42.01 61.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.87 . . . . 2.96 109.835 179.771 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.11 -43.43 98.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.211 -0.93 . . . . 1.75 110.095 -179.501 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.524 -179.775 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.23 -50.86 72.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.22 109.553 179.928 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.27 -30.1 70.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 1.73 109.674 -179.78 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.31 -53.81 51.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.239 -0.913 . . . . 1.0700000000000001 110.042 -179.676 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.01 -42.33 98.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.26 -0.9 . . . . 1.1100000000000001 109.654 -179.551 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.63 -36.82 77.11 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 1.9099999999999999 109.783 -179.899 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.5 tt -64.34 -44.73 90.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 1.1699999999999999 109.219 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.569 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 15.9 ttmm -61.41 -37.21 82.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.234 -0.916 . . . . 2.1499999999999999 108.773 179.597 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -57.14 -32.66 66.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.488 -0.757 . . . . 1.4399999999999999 109.284 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.67 -49.39 66.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 1.3 109.434 179.952 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.78 1.03 32.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.3999999999999999 109.586 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.93 -78.16 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 1.6000000000000001 109.917 -179.86 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.36 8.55 12.92 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.777 -0.929 . . . . 1.5 110.777 -179.434 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 0.1 OUTLIER -84.64 133.05 34.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.863 -1.374 . . . . 4.5499999999999998 109.398 179.918 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -48.23 108.14 0.87 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 5.6699999999999999 109.495 -179.942 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.97 130.3 34.06 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.026 1.817 . . . . 6.1200000000000001 110.332 -179.916 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.956 -1.469 . . . . 7.2699999999999996 109.584 179.884 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.247 0.546 . . . . 7.6600000000000001 109.542 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.08 88.91 0.07 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 7.5099999999999998 109.506 179.953 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.76 73.83 0.71 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 6.8099999999999996 109.622 179.888 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.18 -2.67 9.34 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.191 1.928 . . . . 5.1500000000000004 110.658 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.32 102.87 10.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.905 -1.122 . . . . 4.7000000000000002 109.567 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 6.2 m-20 -81.05 -174.68 5.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.865 . . . . 2.48 109.351 179.812 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.11 -175.71 12.05 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.304 -1.518 . . . . 1.0800000000000001 109.304 179.859 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.96 136.41 57.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.096 -1.238 . . . . 1.7 109.344 179.925 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 70.1 m-85 -93.45 158.4 15.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.911 . . . . 1.04 109.515 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 98.6 m-85 -138.8 -171.33 3.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.224 -0.923 . . . . 0.65000000000000002 109.369 179.921 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 35.2 p -154.36 152.88 30.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 109.517 -179.883 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' C' ' 342' ' ' ARG . 12.8 tp -147.57 133.18 18.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.918 . . . . 1.0900000000000001 109.464 -179.788 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 35.0 tt0 -85.88 135.03 33.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -0.849 . . . . 1.3700000000000001 109.465 -179.917 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' A' ' 341' ' ' PHE . 35.9 mt -123.42 113.22 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 1.1499999999999999 109.379 179.843 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.441 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.0 OUTLIER -73.67 141.03 46.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.301 -0.874 . . . . 2.79 109.482 -179.937 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.92 10.55 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.788 -1.325 . . . . 0.45000000000000001 109.788 179.922 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -75.59 -64.24 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -1.171 . . . . 3.1600000000000001 109.5 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.42 -35.95 70.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 2.2200000000000002 109.131 179.898 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.99 -47.54 82.69 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.41 -0.806 . . . . 3.54 109.445 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.537 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.9 t80 -56.26 -55.7 30.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 0.5 109.624 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.91 -37.95 54.43 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.418 -0.801 . . . . 1.6599999999999999 110.264 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.06 -47.68 81.89 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.149 -0.969 . . . . 1.1499999999999999 110.34 -179.162 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.539 ' CD2' HG22 ' A' ' 332' ' ' ILE . 25.4 m-85 -61.81 -49.43 76.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.34000000000000002 109.451 -179.588 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.37 -37.35 47.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.371 -0.831 . . . . 2.9399999999999999 109.857 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.4 -50.98 71.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.74 110.013 -179.558 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.99 -33.7 73.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.181 -0.949 . . . . 1.0700000000000001 108.996 179.962 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -59.41 -55.67 31.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 1.22 109.512 179.633 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.84 -28.19 69.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.72 109.836 -179.712 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.28 -57.75 11.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.88 . . . . 1.0700000000000001 109.927 -179.642 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.61 -37.43 81.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 109.409 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.05 -36.27 76.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.181 -0.949 . . . . 1.9099999999999999 109.506 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.24 -43.41 94.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 1.1499999999999999 109.469 179.918 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.52 -47.07 87.25 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.773 . . . . 2.1400000000000001 109.079 179.896 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.22 -29.67 65.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.783 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.7 90.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.893 . . . . 1.3 110.003 -179.281 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.83 -25.72 30.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 1.4199999999999999 109.771 -179.83 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.78 -4.74 39.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 1.5800000000000001 109.767 179.794 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.73 -4.8 85.78 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.955 -1.258 . . . . 1.54 109.955 -179.565 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 357' ' ' LYS . 0.0 OUTLIER -88.16 91.89 8.95 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.269 . . . . 4.5499999999999998 109.437 179.921 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.1 152.78 5.37 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 5.71 109.463 179.951 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.47 136.01 60.78 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.118 1.879 . . . . 6.0899999999999999 110.13 179.925 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 118.04 -1.422 . . . . 7.2400000000000002 109.578 -179.996 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.473 -0.566 . . . . 7.6699999999999999 109.473 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.03 88.88 0.07 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 7.46 109.525 179.934 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.83 73.72 0.72 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 6.79 109.579 179.875 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.1 -2.54 9.04 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.231 1.954 . . . . 5.1500000000000004 110.622 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 83.1 mt -81.38 102.83 10.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.998 -1.064 . . . . 4.6600000000000001 109.594 179.963 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.464 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 6.1 m-20 -80.9 -174.64 4.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 2.4700000000000002 109.408 179.813 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.12 -175.69 12.07 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.259 -1.536 . . . . 1.0600000000000001 109.259 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.97 136.41 57.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -1.147 . . . . 1.6100000000000001 109.363 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 70.6 m-85 -93.49 158.47 15.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.96999999999999997 109.494 -179.91 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.89 -171.5 3.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.59999999999999998 109.393 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.552 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 34.9 p -154.18 153.15 31.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.1000000000000001 109.43 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -147.7 133.12 18.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.416 -179.81 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 35.1 tt0 -85.87 135.14 33.82 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.31 -0.869 . . . . 1.3600000000000001 109.501 179.924 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.537 HG22 ' CD2' ' B' ' 341' ' ' PHE . 36.3 mt -123.57 113.29 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 1.1699999999999999 109.355 179.83 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.437 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.7 140.98 46.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.428 -0.795 . . . . 2.79 109.52 -179.942 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.46 139.9 10.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.757 -1.337 . . . . 0.47999999999999998 109.757 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -75.51 -64.34 1.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 3.2200000000000002 109.523 179.848 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.26 -36.12 70.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.854 . . . . 2.21 109.125 179.885 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.439 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.89 -47.66 82.13 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 3.5499999999999998 109.461 179.907 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.4 t80 -56.1 -55.82 28.38 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.474 -0.766 . . . . 0.52000000000000002 109.655 179.897 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.75 -38.11 54.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 1.6799999999999999 110.234 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.04 -47.69 81.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.123 -0.986 . . . . 1.1499999999999999 110.297 -179.042 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.537 ' CD2' HG22 ' B' ' 332' ' ' ILE . 25.3 m-85 -61.74 -49.39 76.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.33000000000000002 109.54 -179.635 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.33 -37.46 47.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.382 -0.824 . . . . 3.02 109.921 179.961 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.2 -51.22 70.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.143 -0.973 . . . . 1.75 110.038 -179.646 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.92 -33.65 73.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 1.0700000000000001 109.01 179.975 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -59.41 -55.79 30.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.5 -0.75 . . . . 1.21 109.496 179.658 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.62 -28.3 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.6899999999999999 109.857 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.31 -57.63 11.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.943 . . . . 1.0600000000000001 109.975 -179.606 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.76 -37.3 81.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 1.0800000000000001 109.372 -179.835 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.06 -36.39 77.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.9299999999999999 109.389 179.746 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 20.4 tp -64.22 -43.41 95.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 1.1399999999999999 109.524 -180.0 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.48 -47.16 86.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.382 -0.824 . . . . 2.1899999999999999 109.022 179.858 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.12 -29.72 65.74 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.415 0.626 . . . . 1.4299999999999999 109.865 179.771 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.8 91.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.266 -0.896 . . . . 1.3100000000000001 110.024 -179.229 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.76 -25.74 30.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.3999999999999999 109.714 -179.774 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.78 -4.79 39.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 1.5700000000000001 109.699 179.892 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.78 -4.76 85.84 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.967 -1.253 . . . . 1.53 109.967 -179.499 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' B' ' 357' ' ' LYS . 0.0 OUTLIER -88.25 91.86 8.94 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.122 -1.222 . . . . 4.5800000000000001 109.45 179.969 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.09 152.72 5.4 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.915 . . . . 5.6799999999999997 109.48 -179.986 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.36 135.97 60.99 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.159 1.906 . . . . 6.0499999999999998 110.178 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.92 -1.489 . . . . 7.2000000000000002 109.555 -179.972 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.452 -0.573 . . . . 9.2200000000000006 109.452 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.0 88.9 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 8.5099999999999998 109.547 179.844 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.77 73.84 0.71 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.85 . . . . 7.4199999999999999 109.517 179.946 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.09 -2.7 9.3 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.255 1.97 . . . . 5.0499999999999998 110.637 179.919 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 83.7 mt -81.32 102.93 10.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.949 -1.095 . . . . 5.1399999999999997 109.458 -179.917 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.456 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 6.2 m-20 -81.06 -174.69 5.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.351 -0.843 . . . . 2.8500000000000001 109.321 179.76 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.09 -175.63 11.86 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.245 -1.542 . . . . 1.27 109.245 179.824 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.05 136.35 57.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -1.206 . . . . 2.1099999999999999 109.298 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 70.1 m-85 -93.3 158.45 15.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.27 -0.894 . . . . 1.01 109.544 -179.994 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.89 -171.43 3.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.57999999999999996 109.412 179.885 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 34.9 p -154.23 152.92 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.938 . . . . 1.1599999999999999 109.543 -179.922 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.8 tp -147.48 133.25 18.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 1.1699999999999999 109.381 -179.715 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 35.0 tt0 -86.07 135.05 33.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 1.8100000000000001 109.48 179.986 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.539 HG22 ' CD2' ' C' ' 341' ' ' PHE . 35.8 mt -123.44 113.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.138 -0.976 . . . . 1.1299999999999999 109.403 179.815 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 141.0 46.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.377 -0.827 . . . . 2.8199999999999998 109.499 -179.915 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.84 10.51 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.756 -1.338 . . . . 0.45000000000000001 109.756 179.871 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.467 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -75.46 -64.27 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -1.047 . . . . 3.0800000000000001 109.545 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.33 -35.95 70.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.877 . . . . 2.54 109.208 179.86 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.44 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.61 82.45 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 4.1100000000000003 109.405 179.874 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.9 t80 -56.18 -55.72 29.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.478 -0.764 . . . . 0.56999999999999995 109.621 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.01 -37.86 54.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.39 -0.819 . . . . 1.6599999999999999 110.208 -179.63 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.07 -47.64 82.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.061 -1.024 . . . . 1.29 110.45 -179.173 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.539 ' CD2' HG22 ' C' ' 332' ' ' ILE . 25.2 m-85 -61.85 -49.26 76.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 0.40000000000000002 109.515 -179.679 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 330' ' ' LEU . 26.1 ttp180 -51.45 -37.44 48.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 3.8500000000000001 109.79 179.993 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.36 -50.98 71.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.134 -0.979 . . . . 1.78 110.006 -179.529 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.0 -33.76 73.75 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.934 . . . . 1.1699999999999999 108.955 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.36 -55.61 32.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.2 109.589 179.64 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.91 -28.11 69.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.427 -0.795 . . . . 2.1200000000000001 109.865 -179.759 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -57.65 11.87 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 1.0700000000000001 109.911 -179.653 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.79 -37.34 81.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 1.1399999999999999 109.372 -179.74 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.01 -36.37 77.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.342 -0.849 . . . . 2.0899999999999999 109.429 179.769 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.478 HD23 ' NE2' ' D' ' 354' ' ' GLN . 20.4 tp -64.23 -43.39 95.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.292 -0.88 . . . . 1.3799999999999999 109.458 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.23 86.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.395 -0.816 . . . . 2.6800000000000002 109.021 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.05 -29.64 65.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.588 -0.695 . . . . 1.3400000000000001 109.891 179.707 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.6 90.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.311 -0.868 . . . . 1.3 110.067 -179.267 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.89 -25.7 29.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 1.8 109.741 -179.854 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.76 -4.8 39.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.92 . . . . 1.47 109.692 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.68 -4.96 85.89 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.941 -1.264 . . . . 1.6599999999999999 109.941 -179.452 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' C' ' 357' ' ' LYS . 0.0 OUTLIER -88.11 91.83 8.92 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.105 -1.233 . . . . 4.7800000000000002 109.386 -179.967 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.03 152.71 5.31 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.232 -0.918 . . . . 6.1900000000000004 109.443 179.859 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.4 135.95 60.72 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.172 1.915 . . . . 6.1799999999999997 110.091 179.953 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 118.016 -1.436 . . . . 6.9000000000000004 109.6 179.959 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.297 0.57 . . . . 7.6900000000000004 109.473 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt 59.98 88.94 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 7.4500000000000002 109.578 -179.991 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.82 73.79 0.71 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.239 -0.913 . . . . 6.8399999999999999 109.528 179.876 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.12 -2.65 9.24 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.227 1.951 . . . . 5.1200000000000001 110.693 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -81.24 102.87 10.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.027 -1.045 . . . . 4.6600000000000001 109.594 179.982 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.453 ' HB2' ' CZ ' ' D' ' 327' ' ' TYR . 6.4 m-20 -81.09 -174.71 5.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.398 -0.814 . . . . 2.46 109.294 179.888 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.9 -175.78 11.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.323 -1.511 . . . . 1.0800000000000001 109.323 179.731 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.0 136.46 57.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -1.168 . . . . 1.6699999999999999 109.357 179.825 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' D' ' 324' ' ' ASP . 69.7 m-85 -93.37 158.46 15.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.313 -0.867 . . . . 1.01 109.539 -179.969 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.92 -171.4 3.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.195 -0.941 . . . . 0.63 109.437 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 34.8 p -154.26 153.01 30.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 1.1299999999999999 109.427 -179.87 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.59 133.14 18.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 1.1000000000000001 109.515 -179.855 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.0 tt0 -85.97 135.11 33.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 1.3700000000000001 109.429 -179.941 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.54 HG22 ' CD2' ' D' ' 341' ' ' PHE . 35.9 mt -123.53 113.37 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 1.1499999999999999 109.315 179.86 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.79 141.0 46.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.341 -0.849 . . . . 2.77 109.501 -179.957 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.5 139.83 10.47 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.765 -1.334 . . . . 0.42999999999999999 109.765 179.856 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -75.45 -64.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -1.118 . . . . 3.1200000000000001 109.458 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.32 -35.95 70.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.262 -0.899 . . . . 2.2200000000000002 109.157 179.97 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.436 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.64 82.34 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.311 -0.868 . . . . 3.5 109.366 179.844 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.552 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.3 t80 -56.21 -55.75 29.41 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.438 -0.789 . . . . 0.5 109.579 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.86 -38.04 54.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.415 -0.803 . . . . 1.6899999999999999 110.247 -179.651 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.096 -1.002 . . . . 1.1399999999999999 110.296 -179.05 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.54 ' CD2' HG22 ' D' ' 332' ' ' ILE . 25.2 m-85 -61.84 -49.38 76.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.131 -0.98 . . . . 0.32000000000000001 109.491 -179.632 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -51.38 -37.43 48.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 2.96 109.854 179.99 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.3 -51.21 70.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 1.75 109.884 -179.535 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.82 -33.79 73.56 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.973 . . . . 1.0800000000000001 108.99 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -59.33 -55.78 30.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.504 -0.748 . . . . 1.22 109.52 179.662 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.79 -28.13 69.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 1.73 109.897 -179.749 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.38 -57.6 12.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 1.0700000000000001 109.973 -179.673 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -37.34 81.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 1.1100000000000001 109.333 -179.822 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.03 -36.32 77.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 1.9099999999999999 109.484 179.77 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 20.5 tp -64.41 -43.3 94.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 1.1699999999999999 109.415 -179.888 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.06 87.35 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.362 -0.836 . . . . 2.1499999999999999 109.07 179.82 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.32 -29.62 66.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 1.4399999999999999 109.799 179.775 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.73 90.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 1.3 109.991 -179.291 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.478 ' NE2' HD23 ' C' ' 350' ' ' LEU . 3.4 mt-30 -83.89 -25.64 30.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.085 -1.009 . . . . 1.3999999999999999 109.744 -179.818 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.8 -4.84 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 1.6000000000000001 109.691 179.779 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.68 -4.88 85.78 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.947 -1.261 . . . . 1.5 109.947 -179.553 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' D' ' 357' ' ' LYS . 0.0 OUTLIER -88.14 91.95 8.97 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.109 -1.23 . . . . 4.5499999999999998 109.457 179.916 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.13 152.8 5.39 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 5.6699999999999999 109.384 179.977 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.45 135.95 60.54 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.239 1.96 . . . . 6.1200000000000001 110.106 179.902 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 118.056 -1.413 . . . . 7.2699999999999996 109.575 179.987 . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.447 -0.575 . . . . 7.6600000000000001 109.447 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 0.0 OUTLIER 60.22 68.75 0.74 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 7.5099999999999998 109.447 -179.901 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.541 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.5 OUTLIER 42.8 59.15 11.11 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.752 . . . . 6.8099999999999996 110.039 -179.857 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.5 Cg_endo -61.1 -174.28 0.11 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.22 1.947 . . . . 5.1500000000000004 110.085 179.74 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.2 mt -80.36 107.24 12.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.187 -0.946 . . . . 4.7000000000000002 109.1 179.838 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.1 105.66 13.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 2.48 109.888 -179.706 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.555 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -71.06 163.45 53.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.279 -1.529 . . . . 1.0800000000000001 109.279 179.398 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.32 123.16 15.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.065 -1.256 . . . . 1.7 109.3 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 60.9 m-85 -95.19 152.14 18.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.16 -0.963 . . . . 1.04 109.66 -179.961 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.3 m-85 -141.23 -174.88 4.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.495 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.2 p -152.09 158.91 43.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 1.1399999999999999 109.36 -179.91 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.13 132.78 16.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 1.0900000000000001 109.548 -179.65 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 15.8 tt0 -85.96 129.75 34.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 1.3700000000000001 109.381 179.825 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.81 116.92 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 1.1499999999999999 109.646 -179.956 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.28 148.94 40.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.883 . . . . 2.79 109.534 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.51 136.26 7.44 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.726 -1.35 . . . . 0.45000000000000001 109.726 179.622 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 15.5 ttm180 -81.93 -52.11 7.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.417 -1.049 . . . . 3.1600000000000001 109.704 179.931 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.16 -46.53 85.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.828 . . . . 2.2200000000000002 109.576 -179.968 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.67 96.32 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.249 -0.907 . . . . 3.54 109.624 -179.693 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.3 t80 -55.22 -55.01 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.46 -0.775 . . . . 0.5 109.868 -179.61 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -51.21 -37.61 47.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.892 . . . . 1.6599999999999999 110.011 -179.491 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.03 -48.33 79.23 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.21 -0.932 . . . . 1.1499999999999999 110.357 -179.273 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.64 -49.14 78.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.34000000000000002 109.392 -179.664 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.76 -43.39 62.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 2.9399999999999999 109.829 -179.957 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.38 -40.75 91.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.267 -0.896 . . . . 1.74 109.998 -179.55 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.137 -0.977 . . . . 1.0700000000000001 109.42 -179.805 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -58.21 -49.85 75.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 1.22 109.642 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 1.72 109.881 -179.656 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.28 -55.78 29.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 110.105 -179.583 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.65 -39.11 87.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.863 . . . . 1.0800000000000001 109.611 -179.535 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.82 -38.02 80.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.351 -0.843 . . . . 1.9099999999999999 109.627 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 350' ' ' LEU . 1.5 tt -64.8 -39.9 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.303 -0.873 . . . . 1.1499999999999999 109.311 -179.732 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.424 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -60.46 -48.02 83.59 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.609 -0.886 . . . . 2.1400000000000001 108.609 179.521 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -29.88 64.82 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.731 -0.606 . . . . 1.4299999999999999 109.372 179.423 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.45 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.447 -0.783 . . . . 1.3 109.57 -179.737 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.56 -45.65 17.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.4199999999999999 109.331 179.746 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.96 -3.0 20.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 1.5800000000000001 109.645 179.74 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.37 -60.44 4.75 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.672 -1.371 . . . . 1.54 109.672 -179.839 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -85.72 101.54 12.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -1.121 . . . . 4.5499999999999998 109.53 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.39 152.02 4.83 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 5.71 109.575 -179.941 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.51 139.63 82.9 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.217 1.945 . . . . 6.0899999999999999 110.204 179.9 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.0 -1.444 . . . . 7.2400000000000002 109.513 -179.985 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.305 0.574 . . . . 7.6699999999999999 109.46 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER 60.24 68.72 0.75 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.953 . . . . 7.46 109.45 -179.86 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.5 OUTLIER 42.75 59.15 11.04 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 6.79 109.994 -179.905 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.5 Cg_endo -61.09 -174.34 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.154 1.903 . . . . 5.1500000000000004 110.125 179.667 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.19 107.21 12.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.199 -0.938 . . . . 4.6600000000000001 109.158 179.81 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.12 106.09 13.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 2.4700000000000002 109.794 -179.743 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.71 163.6 54.27 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.175 -1.57 . . . . 1.0600000000000001 109.175 179.455 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.31 123.1 15.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -1.21 . . . . 1.6100000000000001 109.334 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 61.1 m-85 -95.17 152.35 18.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -0.97 . . . . 0.96999999999999997 109.587 -179.962 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.0 m-85 -141.36 -174.81 4.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.59999999999999998 109.508 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.2 p -152.1 158.93 43.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.137 -0.977 . . . . 1.1000000000000001 109.316 -179.831 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.18 132.81 16.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.176 -0.952 . . . . 1.1000000000000001 109.644 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 15.9 tt0 -86.05 129.68 34.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.3600000000000001 109.289 179.947 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.86 117.12 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -0.93 . . . . 1.1699999999999999 109.578 179.991 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.52 148.96 40.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 2.79 109.444 179.873 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.45 136.07 7.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.765 -1.334 . . . . 0.47999999999999998 109.765 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 15.7 ttm180 -81.78 -52.13 7.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.347 -1.09 . . . . 3.2200000000000002 109.65 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.37 -46.22 86.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.21 109.642 -179.884 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.03 -41.61 96.89 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.302 -0.874 . . . . 3.5499999999999998 109.609 -179.762 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.6 t80 -55.21 -55.11 35.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.421 -0.8 . . . . 0.52000000000000002 109.883 -179.645 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -51.06 -37.63 46.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -0.856 . . . . 1.6799999999999999 110.093 -179.551 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.12 -48.2 79.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.142 -0.974 . . . . 1.1499999999999999 110.347 -179.263 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.76 -49.03 79.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.176 -0.952 . . . . 0.33000000000000002 109.48 -179.644 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.77 -43.41 62.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.369 -0.832 . . . . 3.02 109.796 179.972 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.23 -40.89 91.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 1.75 110.006 -179.62 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.09 -43.92 97.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.306 -0.871 . . . . 1.0700000000000001 109.448 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.15 -49.8 75.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.357 -0.839 . . . . 1.21 109.764 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.5 -31.15 71.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.917 . . . . 1.6899999999999999 109.914 -179.786 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.43 -55.75 29.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 1.0600000000000001 110.105 -179.666 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.69 -39.07 87.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 1.0800000000000001 109.536 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.84 -37.91 80.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.328 -0.858 . . . . 1.9299999999999999 109.689 179.922 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.5 tt -64.85 -39.92 94.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.1399999999999999 109.35 -179.807 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -48.09 83.24 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.576 -0.898 . . . . 2.1899999999999999 108.576 179.539 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.91 64.75 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.335 -0.617 . . . . 1.4299999999999999 109.335 179.457 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.37 74.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 1.3100000000000001 109.51 -179.697 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' A' ' 350' ' ' LEU . 2.5 mt-30 -80.57 -45.7 16.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 1.3999999999999999 109.324 179.787 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.98 -3.04 20.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 1.5700000000000001 109.662 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.39 -60.36 4.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.637 -1.385 . . . . 1.53 109.637 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -85.85 101.47 12.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.321 -1.106 . . . . 4.5800000000000001 109.5 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.28 152.19 4.48 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 5.6799999999999997 109.604 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.62 139.57 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.284 1.989 . . . . 6.0499999999999998 110.156 179.885 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.951 -1.472 . . . . 7.2000000000000002 109.58 179.913 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.548 -0.538 . . . . 9.2200000000000006 109.548 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 0.0 OUTLIER 60.18 68.67 0.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.195 -0.941 . . . . 8.5099999999999998 109.432 -179.913 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.5 OUTLIER 42.95 59.01 11.44 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.558 -0.714 . . . . 7.4199999999999999 110.069 -179.951 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.5 Cg_endo -61.13 -174.31 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.137 1.891 . . . . 5.0499999999999998 110.131 179.805 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 21.9 mt -80.24 107.28 12.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 5.1399999999999997 109.24 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.15 105.9 13.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.474 -0.766 . . . . 2.8500000000000001 109.867 -179.646 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.546 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.3 163.61 54.05 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.167 -1.573 . . . . 1.27 109.167 179.495 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.5 123.16 15.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -1.219 . . . . 2.1099999999999999 109.316 179.833 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 61.2 m-85 -95.2 152.44 18.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.154 -0.966 . . . . 1.01 109.541 -179.904 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -141.38 -174.88 4.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.2 -0.938 . . . . 0.57999999999999996 109.475 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.515 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.1 p -152.11 159.01 43.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 1.1599999999999999 109.307 -179.908 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.26 132.74 16.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.256 -0.902 . . . . 1.1699999999999999 109.561 -179.684 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -85.96 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 1.8100000000000001 109.397 179.824 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.85 117.04 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.167 -0.958 . . . . 1.1299999999999999 109.561 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.37 148.93 40.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 2.8199999999999998 109.494 179.778 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.44 7.51 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.7 -1.36 . . . . 0.45000000000000001 109.7 179.658 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 15.5 ttm180 -82.16 -52.07 7.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -1.133 . . . . 3.0800000000000001 109.656 179.928 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.32 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.895 . . . . 2.54 109.592 -179.942 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.255 -0.903 . . . . 4.1100000000000003 109.738 -179.8 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.3 t80 -55.25 -55.02 36.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.745 . . . . 0.56999999999999995 109.913 -179.634 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.06 -37.66 46.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.246 -0.909 . . . . 1.6599999999999999 110.029 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.19 -48.27 79.05 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.179 -0.951 . . . . 1.29 110.269 -179.147 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.67 -49.09 78.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.40000000000000002 109.448 -179.637 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.55 -43.6 62.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.374 -0.829 . . . . 3.8500000000000001 109.841 179.931 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.22 -40.89 91.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -0.907 . . . . 1.78 109.966 -179.464 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.13 -43.83 97.97 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.26 -0.9 . . . . 1.1699999999999999 109.455 -179.726 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 1.2 109.671 179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.43 -31.32 72.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.303 -0.873 . . . . 2.1200000000000001 109.858 -179.68 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.2 -0.937 . . . . 1.0700000000000001 110.085 -179.581 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.64 -39.12 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.319 -0.863 . . . . 1.1399999999999999 109.581 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.78 -38.07 80.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.26 -0.9 . . . . 2.0899999999999999 109.676 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.53 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.4 tt -64.71 -39.97 94.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.226 -0.922 . . . . 1.3799999999999999 109.367 -179.777 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.48 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.11 83.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 2.6800000000000002 108.644 179.497 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -29.88 64.63 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.407 0.622 . . . . 1.3400000000000001 109.373 179.395 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.34 73.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 1.3 109.491 -179.615 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.64 -45.6 17.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.8 109.314 179.812 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.07 -2.98 20.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.331 -0.856 . . . . 1.47 109.624 179.761 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.36 -60.4 4.77 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.659 -1.376 . . . . 1.6599999999999999 109.659 -179.837 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -85.73 101.44 12.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -1.178 . . . . 4.7800000000000002 109.467 -179.889 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.34 152.12 4.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.312 -0.867 . . . . 6.1900000000000004 109.592 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.6 139.63 82.39 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.142 1.894 . . . . 6.1799999999999997 110.167 179.908 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.976 -1.458 . . . . 6.9000000000000004 109.524 179.976 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.538 -0.542 . . . . 7.6900000000000004 109.538 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER 60.27 68.68 0.75 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.239 -0.913 . . . . 7.4500000000000002 109.401 -179.885 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.5 OUTLIER 42.85 59.13 11.21 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.55 -0.719 . . . . 6.8399999999999999 109.967 -179.965 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.5 Cg_endo -61.1 -174.35 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.192 1.928 . . . . 5.1200000000000001 110.111 179.678 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.23 107.21 12.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.938 . . . . 4.6600000000000001 109.22 179.784 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.14 105.9 13.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 2.46 109.91 -179.715 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.543 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.35 163.56 54.09 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.248 -1.541 . . . . 1.0800000000000001 109.248 179.487 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -59.46 123.14 15.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.12 -1.223 . . . . 1.6699999999999999 109.328 179.856 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 61.3 m-85 -95.13 152.26 18.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.984 . . . . 1.01 109.564 -179.906 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -141.32 -174.85 4.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.872 . . . . 0.63 109.402 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.9 p -152.13 158.88 43.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -0.934 . . . . 1.1299999999999999 109.265 -179.849 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -149.11 132.83 16.89 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 1.1000000000000001 109.656 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 15.8 tt0 -86.06 129.92 34.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 1.3700000000000001 109.332 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.1 mt -123.88 116.88 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.142 -0.974 . . . . 1.1499999999999999 109.594 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.21 149.04 41.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.349 -0.844 . . . . 2.77 109.529 179.712 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.32 136.31 7.37 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.801 -1.32 . . . . 0.42999999999999999 109.801 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.583 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 15.6 ttm180 -82.04 -52.08 7.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.256 -1.144 . . . . 3.1200000000000001 109.584 179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.32 -46.44 86.18 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.935 . . . . 2.2200000000000002 109.567 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.62 96.23 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.259 -0.9 . . . . 3.5 109.7 -179.747 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -55.11 -55.09 34.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.413 -0.804 . . . . 0.5 109.911 -179.693 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.16 -37.65 47.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 1.6899999999999999 110.022 -179.502 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.07 -48.32 79.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.134 -0.979 . . . . 1.1399999999999999 110.263 -179.215 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.75 -48.91 79.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.122 -0.986 . . . . 0.32000000000000001 109.5 -179.594 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -51.81 -43.46 63.11 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.401 -0.812 . . . . 2.96 109.817 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.24 -40.88 91.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.75 109.957 -179.577 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 23.8 mt -62.15 -43.8 98.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 109.44 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.17 -49.93 75.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 1.22 109.648 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.39 -31.23 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.835 . . . . 1.73 109.921 -179.727 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.48 -55.71 30.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 1.0700000000000001 110.036 -179.558 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.62 -39.16 87.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 1.1100000000000001 109.61 -179.548 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.82 -37.98 80.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 1.9099999999999999 109.654 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.4 tt -64.78 -39.9 94.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 1.1699999999999999 109.301 -179.71 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.53 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.15 82.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 2.1499999999999999 108.659 179.487 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -29.86 64.77 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.701 -0.625 . . . . 1.4399999999999999 109.356 179.452 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.34 73.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 1.3 109.548 -179.718 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.56 -45.62 17.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.3999999999999999 109.364 179.723 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.88 20.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 1.6000000000000001 109.64 179.75 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.34 -60.49 4.73 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.655 -1.378 . . . . 1.5 109.655 -179.886 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -85.72 101.38 12.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -1.179 . . . . 4.5499999999999998 109.505 -179.91 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.31 152.06 4.65 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.352 -0.843 . . . . 5.6699999999999999 109.621 -179.941 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.55 139.53 82.06 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.292 1.994 . . . . 6.1200000000000001 110.208 179.924 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.931 -1.483 . . . . 7.2699999999999996 109.496 -179.998 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.215 0.531 . . . . 7.6600000000000001 109.591 . . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 56.9 -92.45 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 7.5099999999999998 109.16 -179.954 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.438 ' HB3' ' HD2' ' A' ' 322' ' ' PRO . 74.2 mttt 58.29 164.19 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 6.8099999999999996 109.612 179.761 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 321' ' ' LYS . 6.5 Cg_endo -74.71 39.37 0.56 Allowed 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.889 2.393 . . . . 5.1500000000000004 111.376 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 321' ' ' LYS . 4.2 mm? -81.06 -2.07 46.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.663 -1.273 . . . . 4.7000000000000002 109.548 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.31 -167.14 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 2.48 109.428 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 163.76 50.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.468 -1.453 . . . . 1.0800000000000001 109.468 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.64 139.3 56.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -1.131 . . . . 1.7 109.415 179.975 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.521 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 17.9 m-85 -95.07 150.13 20.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 1.04 109.65 -179.905 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 58.6 m-85 -140.65 138.49 34.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 0.65000000000000002 109.091 179.245 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.27 170.99 9.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 1.1399999999999999 109.904 -179.536 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.425 ' HB2' HD13 ' C' ' 332' ' ' ILE . 16.2 tp -149.83 131.03 14.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.43 -0.794 . . . . 1.0900000000000001 109.412 179.774 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.65 124.16 32.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.177 -0.952 . . . . 1.3700000000000001 109.561 -179.842 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' C' ' 330' ' ' LEU . 25.4 mt -124.16 113.9 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 1.1499999999999999 109.612 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 0.2 OUTLIER -73.57 148.17 43.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 2.79 109.621 179.709 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.02 134.53 7.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.928 -1.269 . . . . 0.45000000000000001 109.928 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -83.54 -51.5 7.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.309 -1.112 . . . . 3.1600000000000001 109.354 179.81 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.46 85.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 109.221 179.823 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.506 ' HG3' ' NH1' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -61.51 -38.28 86.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.236 -0.915 . . . . 3.54 109.181 179.796 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -53.95 -52.93 59.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.418 -0.801 . . . . 0.5 109.194 179.883 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -51.77 -35.39 43.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 1.6599999999999999 109.802 -179.8 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.219 -0.926 . . . . 1.1499999999999999 109.971 -179.391 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.7 -47.21 87.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.34000000000000002 109.364 179.957 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.3 62.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 2.9399999999999999 109.852 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.1 -48.61 81.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.184 -0.948 . . . . 1.74 109.831 -179.489 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.409 HD21 HD21 ' B' ' 344' ' ' LEU . 74.2 mt -61.37 -33.67 74.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.17 -0.956 . . . . 1.0700000000000001 109.164 -179.888 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.94 -57.37 13.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 1.22 109.453 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -29.01 70.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 1.72 109.873 -179.55 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -57.03 13.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 1.0700000000000001 109.885 -179.546 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.485 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 15.8 mt -61.17 -41.16 96.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -0.886 . . . . 1.0800000000000001 109.595 -179.465 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.59 -37.61 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.813 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.472 HD12 ' NE2' ' B' ' 354' ' ' GLN . 1.3 tt -65.19 -40.88 94.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 1.1499999999999999 109.24 -179.752 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.5 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.76 -46.96 87.34 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.673 0.749 . . . . 2.1400000000000001 109.217 179.719 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -31.43 61.65 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.562 -0.711 . . . . 1.4299999999999999 109.6 179.937 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.62 90.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 1.3 109.345 -179.936 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -81.7 -3.09 52.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.4199999999999999 109.473 179.599 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.82 2.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.286 -0.884 . . . . 1.5800000000000001 109.545 -179.912 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.18 62.7 4.54 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.478 -1.449 . . . . 1.54 109.478 -179.872 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.72 139.15 31.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.226 -1.161 . . . . 4.5499999999999998 109.486 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.54 116.86 6.38 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.316 -0.865 . . . . 5.71 109.561 -179.818 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.65 129.47 31.04 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.938 1.758 . . . . 6.0899999999999999 110.32 179.995 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.033 -1.426 . . . . 7.2400000000000002 109.564 179.919 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.47 -0.567 . . . . 7.6699999999999999 109.47 . . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' B' ' 321' ' ' LYS . 2.4 mmtp 56.84 -92.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 7.46 109.185 -179.826 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' B' ' 322' ' ' PRO . 74.3 mttt 58.25 164.08 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 6.79 109.711 179.795 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' B' ' 321' ' ' LYS . 6.5 Cg_endo -74.65 39.28 0.55 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.892 2.395 . . . . 5.1500000000000004 111.407 179.573 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.423 ' CD2' ' HB3' ' B' ' 321' ' ' LYS . 4.2 mm? -80.93 -2.11 46.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 4.6600000000000001 109.644 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -79.26 -167.08 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 2.4700000000000002 109.484 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 163.7 50.9 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.467 -1.453 . . . . 1.0600000000000001 109.467 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.72 139.29 56.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -1.175 . . . . 1.6100000000000001 109.445 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 17.8 m-85 -94.97 150.2 20.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.169 -0.957 . . . . 0.96999999999999997 109.639 -179.863 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 59.1 m-85 -140.79 138.36 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.59999999999999998 109.058 179.293 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -91.26 171.17 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 1.1000000000000001 109.961 -179.511 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.92 130.98 14.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.416 -0.802 . . . . 1.1000000000000001 109.339 179.882 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.6 124.17 32.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 1.3600000000000001 109.609 -179.932 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.2 114.07 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.194 -0.941 . . . . 1.1699999999999999 109.584 179.877 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.512 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -73.67 148.25 42.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 2.79 109.593 179.789 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.96 134.6 7.32 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.47999999999999998 109.842 179.595 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -83.63 -51.46 7.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.143 . . . . 3.2200000000000002 109.41 179.704 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.4 85.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 2.21 109.218 179.791 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.508 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -61.61 -38.27 86.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.256 -0.903 . . . . 3.5499999999999998 109.136 179.899 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.89 -52.98 58.76 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.427 -0.796 . . . . 0.52000000000000002 109.197 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.75 -35.5 43.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.321 -0.862 . . . . 1.6799999999999999 109.698 -179.763 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.63 74.25 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.207 -0.933 . . . . 1.1499999999999999 109.97 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -60.59 -47.24 87.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.114 -0.991 . . . . 0.33000000000000002 109.352 -179.955 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.31 62.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.8 . . . . 3.02 109.832 -179.956 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -48.37 82.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 1.75 109.904 -179.499 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.409 HD21 HD21 ' A' ' 344' ' ' LEU . 74.3 mt -61.48 -33.67 74.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 1.0700000000000001 109.12 -179.93 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.99 -57.45 12.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.382 -0.824 . . . . 1.21 109.491 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -29.0 70.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.418 -0.801 . . . . 1.6899999999999999 110.024 -179.664 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.93 14.1 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.252 -0.905 . . . . 1.0600000000000001 109.969 -179.611 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 15.5 mt -61.19 -41.13 96.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.276 -0.89 . . . . 1.0800000000000001 109.622 -179.513 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.67 79.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.9299999999999999 109.762 -179.824 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.3 tt -65.19 -40.95 94.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.337 -0.852 . . . . 1.1399999999999999 109.277 -179.683 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -46.67 88.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.474 -0.767 . . . . 2.1899999999999999 109.199 179.738 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -31.43 61.93 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.523 -0.736 . . . . 1.4299999999999999 109.637 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.59 90.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 1.3100000000000001 109.329 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.472 ' NE2' HD12 ' A' ' 350' ' ' LEU . 21.6 mt-30 -81.76 -3.11 52.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.383 -0.823 . . . . 1.3999999999999999 109.487 179.635 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.61 -60.68 2.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 1.5700000000000001 109.669 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.19 62.63 4.55 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.477 -1.449 . . . . 1.53 109.477 -179.869 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 139.18 31.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.305 -1.115 . . . . 4.5800000000000001 109.363 -179.8 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.64 116.85 6.46 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.877 . . . . 5.6799999999999997 109.587 -179.84 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.62 129.42 30.86 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.974 1.782 . . . . 6.0499999999999998 110.317 -179.996 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 118.049 -1.417 . . . . 7.2000000000000002 109.567 179.936 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.512 -0.551 . . . . 9.2200000000000006 109.512 . . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 56.81 -92.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.927 . . . . 8.5099999999999998 109.214 -179.873 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.428 ' HB3' ' HD2' ' C' ' 322' ' ' PRO . 74.1 mttt 58.39 164.02 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.182 -0.949 . . . . 7.4199999999999999 109.61 179.66 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' C' ' 321' ' ' LYS . 6.6 Cg_endo -74.59 39.21 0.55 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 122.848 2.365 . . . . 5.0499999999999998 111.487 179.525 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' C' ' 321' ' ' LYS . 4.2 mm? -80.86 -2.08 45.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.713 -1.242 . . . . 5.1399999999999997 109.623 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -79.39 -167.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.267 -0.896 . . . . 2.8500000000000001 109.379 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.25 163.77 50.86 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.418 -1.473 . . . . 1.27 109.418 179.943 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.62 139.27 56.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.214 -1.168 . . . . 2.1099999999999999 109.371 179.934 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.454 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 18.1 m-85 -95.05 150.15 20.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 1.01 109.708 -179.956 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 59.6 m-85 -140.62 138.59 34.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.57999999999999996 109.017 179.234 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.36 171.04 9.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.468 -0.77 . . . . 1.1599999999999999 109.937 -179.5 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.423 ' HB2' HD13 ' A' ' 332' ' ' ILE . 16.3 tp -149.81 131.01 14.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 1.1699999999999999 109.388 179.785 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.57 124.14 32.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 1.8100000000000001 109.692 -179.994 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 330' ' ' LEU . 25.5 mt -124.09 114.01 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.913 . . . . 1.1299999999999999 109.685 179.88 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -73.61 148.16 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 2.8199999999999998 109.537 179.846 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.93 134.63 7.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.896 -1.282 . . . . 0.45000000000000001 109.896 179.623 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -83.67 -51.41 7.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 3.0800000000000001 109.353 179.788 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -58.2 -46.41 85.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 2.54 109.181 179.849 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.495 ' NH1' ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -61.51 -38.21 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.244 -0.91 . . . . 4.1100000000000003 109.255 179.762 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.08 -52.88 59.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.457 -0.777 . . . . 0.56999999999999995 109.116 179.899 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.76 -35.5 43.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.384 -0.823 . . . . 1.6599999999999999 109.731 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.6 74.38 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.22 -0.925 . . . . 1.29 110.002 -179.45 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.62 -47.18 87.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.40000000000000002 109.331 -179.981 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.04 -41.35 62.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.393 -0.817 . . . . 3.8500000000000001 109.812 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.08 -48.56 81.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.969 . . . . 1.78 109.87 -179.547 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.4 -33.69 74.11 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.928 . . . . 1.1699999999999999 109.109 -179.851 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.01 -57.51 12.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.409 -0.807 . . . . 1.2 109.371 179.712 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -29.03 70.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.32 -0.863 . . . . 2.1200000000000001 109.972 -179.668 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.85 -57.05 13.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 1.0700000000000001 110.021 -179.592 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.443 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 15.6 mt -61.09 -41.23 96.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.331 -0.855 . . . . 1.1399999999999999 109.623 -179.527 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.56 79.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 2.0899999999999999 109.796 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.3 tt -65.3 -40.87 94.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 1.3799999999999999 109.21 -179.696 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.6 OUTLIER -61.81 -46.86 87.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 2.6800000000000002 109.145 179.761 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -31.42 61.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.552 -0.718 . . . . 1.3400000000000001 109.586 179.923 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.63 90.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 1.3 109.31 -179.995 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -81.81 -3.11 53.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.236 -0.915 . . . . 1.8 109.42 179.705 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.63 -60.72 2.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.168 -0.958 . . . . 1.47 109.649 179.99 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.13 62.78 4.53 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.525 -1.43 . . . . 1.6599999999999999 109.525 -179.974 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.82 139.2 31.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.269 -1.136 . . . . 4.7800000000000002 109.383 -179.892 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.71 116.86 6.55 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.219 -0.926 . . . . 6.1900000000000004 109.561 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.64 129.36 30.55 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.026 1.817 . . . . 6.1799999999999997 110.385 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.031 -1.427 . . . . 6.9000000000000004 109.563 -179.985 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.47 -0.567 . . . . 7.6900000000000004 109.47 . . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 321' ' ' LYS . 2.4 mmtp 56.87 -92.46 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 7.4500000000000002 109.251 -179.889 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.437 ' HB3' ' HD2' ' D' ' 322' ' ' PRO . 74.3 mttt 58.4 164.01 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 6.8399999999999999 109.593 179.666 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' D' ' 321' ' ' LYS . 6.6 Cg_endo -74.63 39.26 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 122.853 2.369 . . . . 5.1200000000000001 111.507 179.466 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' D' ' 321' ' ' LYS . 4.2 mm? -80.84 -2.04 45.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.653 -1.279 . . . . 4.6600000000000001 109.731 179.836 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -79.38 -167.1 1.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 2.46 109.393 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.18 163.76 50.75 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.46 -1.456 . . . . 1.0800000000000001 109.46 179.872 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.65 139.22 56.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.179 -1.189 . . . . 1.6699999999999999 109.398 179.948 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 17.9 m-85 -94.93 150.13 20.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.324 -0.86 . . . . 1.01 109.711 -179.941 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 58.6 m-85 -140.67 138.64 34.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.23 -0.919 . . . . 0.63 109.071 179.241 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.53 171.1 9.41 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.426 -0.796 . . . . 1.1299999999999999 109.885 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.82 130.99 14.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 1.1000000000000001 109.418 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.64 124.2 32.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.322 -0.861 . . . . 1.3700000000000001 109.549 -179.945 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.7 mt -124.18 113.77 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.265 -0.897 . . . . 1.1499999999999999 109.706 179.833 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.504 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.2 OUTLIER -73.43 148.17 43.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 2.77 109.743 179.747 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.1 134.61 7.38 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.811 -1.316 . . . . 0.42999999999999999 109.811 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -83.62 -51.51 7.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -1.084 . . . . 3.1200000000000001 109.378 179.703 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.04 -46.47 85.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 2.2200000000000002 109.298 179.772 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.497 ' HG3' ' NH1' ' D' ' 337' ' ' ARG . 0.6 OUTLIER -61.49 -38.19 86.41 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.313 -0.867 . . . . 3.5 109.226 179.753 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.03 -53.01 58.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.46 -0.775 . . . . 0.5 109.094 179.924 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -51.63 -35.55 42.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.923 . . . . 1.6899999999999999 109.759 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.73 -49.57 74.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.179 -0.951 . . . . 1.1399999999999999 110.083 -179.452 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.65 -47.22 87.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.32000000000000001 109.405 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.93 -41.43 62.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.419 -0.801 . . . . 2.96 109.87 179.94 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.121 -0.987 . . . . 1.75 109.906 -179.565 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.48 -33.69 74.2 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.128 -0.982 . . . . 1.0800000000000001 109.066 -179.884 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.07 -57.41 12.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.34 -0.85 . . . . 1.22 109.408 179.692 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.93 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.425 -0.797 . . . . 1.73 109.987 -179.72 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -57.05 13.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 1.0700000000000001 109.945 -179.576 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.508 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 15.6 mt -61.18 -41.11 96.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.27 -0.894 . . . . 1.1100000000000001 109.587 -179.53 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -59.65 -37.58 79.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.9099999999999999 109.8 -179.833 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.4 tt -65.29 -40.74 94.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 1.1699999999999999 109.275 -179.689 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.85 -46.86 87.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.523 -0.736 . . . . 2.1499999999999999 109.183 179.682 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -31.36 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.557 -0.714 . . . . 1.4399999999999999 109.582 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.63 90.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 1.3 109.28 179.968 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -81.72 -3.21 53.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.838 . . . . 1.3999999999999999 109.446 179.734 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.65 -60.79 2.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 1.6000000000000001 109.555 -179.885 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.0 62.64 4.56 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.528 -1.429 . . . . 1.5 109.528 -179.924 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 139.12 31.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -1.176 . . . . 4.5499999999999998 109.431 -179.882 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.6 116.79 6.36 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 5.6699999999999999 109.559 -179.813 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.6 129.45 31.04 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.978 1.786 . . . . 6.1200000000000001 110.379 179.959 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.989 -1.45 . . . . 7.2699999999999996 109.545 179.962 . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.434 -0.58 . . . . 7.6600000000000001 109.434 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.71 36.7 10.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.193 -0.942 . . . . 7.5099999999999998 109.399 -179.801 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.489 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 47.9 mttt 58.7 61.99 4.67 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 6.8099999999999996 109.811 179.892 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -63.8 164.74 20.55 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.22 1.946 . . . . 5.1500000000000004 110.014 179.764 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.1 mt -80.31 103.84 10.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 4.7000000000000002 109.246 179.663 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.46 116.29 21.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.394 -0.816 . . . . 2.48 109.882 -179.671 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.591 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.95 172.09 37.56 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.89 -1.684 . . . . 1.0800000000000001 108.89 179.509 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -62.05 121.88 14.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.297 . . . . 1.7 109.802 179.964 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 44.4 m-85 -97.74 155.04 17.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 1.04 109.734 179.762 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.65 -171.81 3.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.873 . . . . 0.65000000000000002 109.366 179.798 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.479 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 61.9 p -152.6 160.47 43.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.117 -0.989 . . . . 1.1399999999999999 109.432 -179.778 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.14 134.28 18.22 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.316 -0.865 . . . . 1.0900000000000001 109.501 -179.69 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -85.88 128.33 34.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.3700000000000001 109.31 179.92 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.89 111.75 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 1.1499999999999999 109.542 -179.937 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.32 153.79 40.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.228 -0.92 . . . . 2.79 109.429 179.773 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 126.14 2.62 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.586 -1.406 . . . . 0.45000000000000001 109.586 179.853 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.4 OUTLIER -72.54 -52.51 15.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -1.06 . . . . 3.1600000000000001 109.777 -179.924 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.74 -47.76 81.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 109.738 -179.669 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.63 -40.5 92.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.243 -0.911 . . . . 3.54 109.602 -179.742 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.6 t80 -54.92 -55.83 26.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.5 109.795 -179.686 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -51.6 -37.17 48.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 110.119 -179.56 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -62.68 -46.21 89.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.095 -1.003 . . . . 1.1499999999999999 110.029 -179.374 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.21 -52.05 66.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.34000000000000002 109.437 -179.721 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 2.9399999999999999 109.845 -179.888 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.84 -50.53 73.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 1.74 109.892 -179.616 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -60.87 -33.59 73.31 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 1.0700000000000001 109.035 179.881 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -59.0 -55.18 38.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.22 109.586 179.6 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.16 -27.99 69.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.433 -0.792 . . . . 1.72 110.0 -179.727 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.03 -56.1 25.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 110.235 -179.448 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 45.0 mt -60.51 -41.96 95.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 1.0800000000000001 109.73 -179.428 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.11 -36.86 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.48 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 350' ' ' LEU . 1.6 tt -65.63 -39.69 91.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 1.1499999999999999 109.499 -179.905 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -61.45 -45.83 92.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.507 -0.745 . . . . 2.1400000000000001 109.045 179.942 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -59.44 -34.01 71.97 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.496 -0.752 . . . . 1.4299999999999999 109.654 179.65 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.81 66.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 1.3 109.478 -179.779 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -81.88 -57.19 3.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 1.4199999999999999 109.424 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -5.03 30.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.269 -0.895 . . . . 1.5800000000000001 109.797 179.94 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 0.81 88.51 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.923 -1.271 . . . . 1.54 109.923 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 97.24 10.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.145 -1.209 . . . . 4.5499999999999998 109.53 179.945 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 15.7 pt-20 -51.97 158.36 1.77 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.395 -0.816 . . . . 5.71 109.688 179.94 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 3.0 Cg_exo -61.06 155.3 51.33 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.28 1.986 . . . . 6.0899999999999999 110.25 179.723 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.015 -1.436 . . . . 7.2400000000000002 109.541 179.954 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.481 -0.563 . . . . 7.6699999999999999 109.481 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 5.6 tttt 63.52 36.75 10.95 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 7.46 109.433 -179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.488 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 48.0 mttt 58.82 61.96 4.57 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.258 -0.901 . . . . 6.79 109.729 179.755 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.8 Cg_endo -63.91 164.89 20.35 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.09 1.86 . . . . 5.1500000000000004 110.056 179.821 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 81.9 mt -80.49 103.83 10.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 4.6600000000000001 109.16 179.743 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.38 116.21 21.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 2.4700000000000002 109.902 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.579 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.72 172.25 36.38 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.898 -1.681 . . . . 1.0600000000000001 108.898 179.386 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.45 122.0 14.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.877 -1.367 . . . . 1.6100000000000001 109.742 -179.986 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 44.7 m-85 -97.78 155.08 17.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.96999999999999997 109.683 179.821 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -140.77 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.376 -0.828 . . . . 0.59999999999999998 109.351 179.924 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 61.5 p -152.69 160.48 43.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 1.1000000000000001 109.345 -179.852 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -149.07 134.28 18.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.891 . . . . 1.1000000000000001 109.481 -179.665 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.78 128.25 34.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.3600000000000001 109.385 179.872 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 52.3 mt -123.87 111.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 1.1699999999999999 109.563 -179.906 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 154.05 40.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -0.893 . . . . 2.79 109.453 179.766 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.47 126.25 2.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.676 -1.369 . . . . 0.47999999999999998 109.676 179.899 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.4 OUTLIER -72.73 -52.4 15.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.346 -1.091 . . . . 3.2200000000000002 109.753 -179.849 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.85 -47.76 81.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 2.21 109.755 -179.696 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -60.5 -40.49 91.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.288 -0.883 . . . . 3.5499999999999998 109.686 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.7 t80 -54.97 -55.73 27.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.443 -0.785 . . . . 0.52000000000000002 109.821 -179.695 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -51.69 -37.09 49.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 1.6799999999999999 110.076 -179.569 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.87 -45.99 89.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.115 -0.991 . . . . 1.1499999999999999 110.123 -179.37 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.35 -52.0 66.47 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.117 -0.989 . . . . 0.33000000000000002 109.43 -179.81 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -51.09 -37.08 43.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.354 -0.841 . . . . 3.02 109.84 -179.966 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.76 -50.53 73.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 1.75 109.869 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.83 -33.64 73.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.16 -0.962 . . . . 1.0700000000000001 109.044 179.824 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.86 -55.4 35.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.511 -0.743 . . . . 1.21 109.566 179.619 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.07 -27.93 69.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.419 -0.801 . . . . 1.6899999999999999 110.092 -179.702 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.05 -56.05 25.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.185 -0.947 . . . . 1.0600000000000001 110.273 -179.513 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.5 -42.11 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.945 . . . . 1.0800000000000001 109.65 -179.436 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.04 -36.8 75.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.957 . . . . 1.9299999999999999 109.518 179.927 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.6 tt -65.72 -39.62 91.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.335 -0.853 . . . . 1.1399999999999999 109.52 -179.959 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -45.74 92.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.415 -0.803 . . . . 2.1899999999999999 108.998 179.996 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -59.58 -33.91 72.04 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.719 . . . . 1.4299999999999999 109.629 179.626 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -25.76 66.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.925 . . . . 1.3100000000000001 109.506 -179.83 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -81.78 -57.21 3.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.233 -0.917 . . . . 1.3999999999999999 109.466 179.818 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -4.89 30.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.346 -0.847 . . . . 1.5700000000000001 109.742 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.33 0.74 88.67 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.864 -1.295 . . . . 1.53 109.864 -179.822 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.92 97.17 10.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -1.184 . . . . 4.5800000000000001 109.562 179.989 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 15.7 pt-20 -51.98 158.47 1.73 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 5.6799999999999997 109.687 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -61.27 155.36 52.07 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.253 1.969 . . . . 6.0499999999999998 110.133 179.839 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 118.004 -1.442 . . . . 7.2000000000000002 109.566 179.955 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.527 -0.545 . . . . 9.2200000000000006 109.527 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.65 36.72 10.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.924 . . . . 8.5099999999999998 109.425 -179.836 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 48.0 mttt 58.83 61.92 4.59 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 7.4199999999999999 109.749 179.816 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.7 Cg_endo -63.76 164.78 20.31 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.125 1.883 . . . . 5.0499999999999998 110.058 179.748 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.33 103.75 10.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.139 -0.975 . . . . 5.1399999999999997 109.236 179.648 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.39 116.19 21.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 2.8500000000000001 109.983 -179.733 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.77 172.36 36.36 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.99 -1.644 . . . . 1.27 108.99 179.465 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.48 122.04 14.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.939 -1.33 . . . . 2.1099999999999999 109.688 -179.894 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 44.4 m-85 -97.8 154.99 17.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 1.01 109.685 179.834 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.6 m-85 -140.68 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.333 -0.854 . . . . 0.57999999999999996 109.395 179.833 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.507 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 60.7 p -152.61 160.44 43.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.98 . . . . 1.1599999999999999 109.414 -179.773 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.05 134.27 18.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 1.1699999999999999 109.478 -179.64 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.94 128.33 34.82 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.883 . . . . 1.8100000000000001 109.318 179.886 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 52.6 mt -123.83 111.85 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 1.1299999999999999 109.617 -179.963 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 153.88 40.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 2.8199999999999998 109.271 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.67 126.35 2.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.67 -1.372 . . . . 0.45000000000000001 109.67 179.849 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.4 OUTLIER -72.87 -52.46 14.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -1.163 . . . . 3.0800000000000001 109.746 -179.896 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.9 -47.51 82.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 2.54 109.756 -179.688 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.6 -40.67 92.64 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -0.907 . . . . 4.1100000000000003 109.632 -179.861 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.5 t80 -54.84 -55.83 26.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.888 . . . . 0.56999999999999995 109.819 -179.697 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -51.76 -37.03 49.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.383 -0.823 . . . . 1.6599999999999999 110.094 -179.519 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.17 89.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.111 -0.993 . . . . 1.29 110.017 -179.394 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.2 -52.12 66.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.208 -0.933 . . . . 0.40000000000000002 109.445 -179.796 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.11 -37.04 43.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 3.8500000000000001 109.834 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.77 -50.54 73.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.121 -0.987 . . . . 1.78 109.81 -179.506 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.83 -33.64 73.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.155 -0.966 . . . . 1.1699999999999999 108.991 179.926 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -58.92 -55.28 37.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 1.2 109.504 179.682 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.12 -28.0 69.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.353 -0.842 . . . . 2.1200000000000001 110.039 -179.658 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.09 -56.03 25.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.129 -0.982 . . . . 1.0700000000000001 110.213 -179.452 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 44.6 mt -60.65 -42.01 96.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 1.1399999999999999 109.644 -179.365 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.03 -36.86 75.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.0899999999999999 109.48 179.859 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.491 ' CD1' ' NE2' ' D' ' 354' ' ' GLN . 1.6 tt -65.69 -39.66 91.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 1.3799999999999999 109.43 -179.84 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.514 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -61.59 -45.68 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 2.6800000000000002 109.083 179.986 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.532 -0.73 . . . . 1.3400000000000001 109.638 179.581 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.85 66.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 1.3 109.4 -179.775 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -81.78 -57.22 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 1.8 109.435 179.819 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.75 -4.91 30.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 1.47 109.783 -179.946 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.37 0.83 88.64 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.889 -1.285 . . . . 1.6599999999999999 109.889 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 97.07 10.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -1.204 . . . . 4.7800000000000002 109.504 -179.977 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 15.7 pt-20 -52.01 158.39 1.78 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.87 . . . . 6.1900000000000004 109.645 -179.988 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 3.0 Cg_exo -61.17 155.3 51.9 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.16 1.907 . . . . 6.1799999999999997 110.18 179.814 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.011 -1.438 . . . . 6.9000000000000004 109.554 179.956 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.562 -0.532 . . . . 7.6900000000000004 109.562 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.49 36.87 10.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.223 -0.923 . . . . 7.4500000000000002 109.407 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.491 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 47.9 mttt 58.73 61.97 4.66 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 6.8399999999999999 109.788 179.802 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.8 Cg_endo -63.88 164.74 20.77 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.199 1.933 . . . . 5.1200000000000001 110.042 179.789 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 81.9 mt -80.24 103.83 10.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.111 -0.993 . . . . 4.6600000000000001 109.183 179.719 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.54 116.36 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 2.46 109.84 -179.714 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.58 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.94 172.23 37.22 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 108.908 -1.677 . . . . 1.0800000000000001 108.908 179.474 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.35 121.98 14.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.073 -1.251 . . . . 1.6699999999999999 109.682 -179.881 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 44.5 m-85 -97.77 155.14 17.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 1.01 109.724 179.791 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.0 m-85 -140.74 -171.77 3.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -0.824 . . . . 0.63 109.381 179.903 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 62.8 p -152.69 160.51 43.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.159 -0.963 . . . . 1.1299999999999999 109.361 -179.821 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -149.16 134.23 18.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.891 . . . . 1.1000000000000001 109.491 -179.672 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.86 128.19 34.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 1.3700000000000001 109.317 179.936 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.81 111.64 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 1.1499999999999999 109.625 -179.934 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 153.98 40.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 2.77 109.428 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.54 126.26 2.59 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.638 -1.385 . . . . 0.42999999999999999 109.638 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.4 OUTLIER -72.67 -52.43 15.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.085 . . . . 3.1200000000000001 109.792 -179.927 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.84 -47.82 81.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.2200000000000002 109.69 -179.675 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.45 -40.65 91.94 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.349 -0.844 . . . . 3.5 109.613 -179.781 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -54.8 -55.81 26.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.37 -0.831 . . . . 0.5 109.875 -179.722 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.74 -37.1 49.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 1.6899999999999999 110.074 -179.554 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.12 89.53 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.078 -1.013 . . . . 1.1399999999999999 110.101 -179.399 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.24 -52.05 66.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.32000000000000001 109.411 -179.807 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -51.22 -36.97 44.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 2.96 109.782 -179.839 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.74 -50.52 73.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 1.75 109.866 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.92 -33.59 73.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.209 -0.932 . . . . 1.0800000000000001 108.963 179.902 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -58.97 -55.26 37.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.365 -0.834 . . . . 1.22 109.544 179.696 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.24 -27.85 69.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 1.73 109.995 -179.646 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.24 -55.96 26.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 110.261 -179.478 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 44.7 mt -60.5 -42.08 95.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 1.1100000000000001 109.701 -179.531 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.0 -36.81 75.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.254 -0.904 . . . . 1.9099999999999999 109.553 179.848 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.6 tt -65.71 -39.67 91.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.289 -0.882 . . . . 1.1699999999999999 109.501 -179.883 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.58 -45.61 93.37 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.361 -0.837 . . . . 2.1499999999999999 109.113 179.958 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -59.54 -34.01 72.11 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.459 -0.776 . . . . 1.4399999999999999 109.596 179.58 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.82 66.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.392 -0.818 . . . . 1.3 109.405 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.491 ' NE2' ' CD1' ' C' ' 350' ' ' LEU . 1.4 mt-30 -81.73 -57.31 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.3999999999999999 109.456 179.778 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -4.99 30.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 1.6000000000000001 109.748 -179.974 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 0.81 88.52 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.886 -1.286 . . . . 1.5 109.886 -179.796 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.01 97.17 10.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.049 -1.265 . . . . 4.5499999999999998 109.526 -179.994 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.457 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 15.7 pt-20 -51.98 158.46 1.73 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 109.628 -179.983 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 3.0 Cg_exo -61.3 155.4 52.03 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.162 1.908 . . . . 6.1200000000000001 110.236 179.815 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.98 -1.455 . . . . 7.2699999999999996 109.522 179.987 . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.457 -0.571 . . . . 7.6600000000000001 109.457 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 55.08 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 7.5099999999999998 109.312 179.832 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.29 94.84 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.287 -0.883 . . . . 6.8099999999999996 108.894 -179.67 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.35 -9.84 19.18 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 121.919 1.746 . . . . 5.1500000000000004 110.464 -179.389 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.34 90.87 7.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.156 -0.965 . . . . 4.7000000000000002 109.431 179.641 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.461 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 10.9 m-20 -84.43 -137.84 0.06 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.348 -0.845 . . . . 2.48 109.015 179.667 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.51 170.83 38.35 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.329 -1.508 . . . . 1.0800000000000001 109.329 179.848 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.6 129.87 43.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -1.191 . . . . 1.7 109.427 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.461 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 16.6 m-85 -94.19 148.14 22.48 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.237 -0.914 . . . . 1.04 109.582 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.9 m-85 -139.95 136.9 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.359 -0.838 . . . . 0.65000000000000002 109.14 179.296 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.41 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 21.4 p -93.2 169.36 10.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.831 . . . . 1.1399999999999999 109.39 179.943 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' C' ' 342' ' ' ARG . 30.9 tp -149.6 132.89 16.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.14 -0.975 . . . . 1.0900000000000001 109.925 -179.871 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -86.32 121.96 29.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.462 -0.773 . . . . 1.3700000000000001 109.026 179.401 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.43 HG22 ' CD2' ' A' ' 341' ' ' PHE . 27.0 mt -123.9 109.66 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 1.1499999999999999 109.833 -179.68 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.513 ' NH1' ' HB3' ' C' ' 324' ' ' ASP . 1.9 ttt180 -74.03 146.13 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 2.79 109.524 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.09 133.13 8.02 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.538 -1.425 . . . . 0.45000000000000001 109.538 179.806 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.9 ttp180 -79.6 -55.55 4.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -1.156 . . . . 3.1600000000000001 109.561 -179.923 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.69 -44.45 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 2.2200000000000002 109.453 179.953 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.19 -43.64 95.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.403 -0.811 . . . . 3.54 109.573 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' C' ' 329' ' ' THR . 31.0 t80 -55.42 -55.49 31.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.5 109.489 -179.864 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -51.69 -37.8 52.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 1.6599999999999999 110.045 -179.645 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.29 -46.01 88.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 1.1499999999999999 109.935 -179.442 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 332' ' ' ILE . 23.9 m-85 -61.36 -55.54 30.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.34000000000000002 109.189 -179.942 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.452 ' CB ' HD12 ' C' ' 330' ' ' LEU . 0.1 OUTLIER -50.62 -36.47 35.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.411 -0.806 . . . . 2.9399999999999999 109.492 179.815 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.56 -46.46 90.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -0.865 . . . . 1.74 109.777 -179.761 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.51 -41.15 96.87 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.422 -179.938 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.44 -47.29 84.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.338 -0.851 . . . . 1.22 109.634 179.754 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.03 -37.21 86.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.72 109.979 -179.609 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.46 77.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 1.0700000000000001 110.01 -179.545 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.4 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 72.6 mt -61.7 -44.96 95.93 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 1.0800000000000001 109.789 -179.649 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.44 -35.1 73.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.573 -179.991 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.6 tt -65.1 -48.14 74.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.428 -0.795 . . . . 1.1499999999999999 109.39 -179.802 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 31.7 ttmt -61.18 -35.55 77.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 109.158 179.89 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -57.02 -39.3 74.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.495 -0.753 . . . . 1.4299999999999999 109.387 179.846 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.24 76.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 1.3 109.327 -179.891 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -81.65 -1.58 47.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.4199999999999999 109.571 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.42 67.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.104 -0.997 . . . . 1.5800000000000001 109.632 -179.777 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 42.68 3.17 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.655 -1.378 . . . . 1.54 109.655 -179.832 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.48 -79.92 0.27 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -1.205 . . . . 4.5499999999999998 109.819 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.2 154.6 1.37 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.229 -0.92 . . . . 5.71 109.918 -179.69 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.22 -81.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.259 1.973 . . . . 6.0899999999999999 110.179 179.964 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.939 -1.478 . . . . 7.2400000000000002 109.58 -179.922 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.456 -0.572 . . . . 7.6699999999999999 109.456 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttt 54.97 93.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 7.46 109.379 -179.988 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.49 94.8 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 6.79 108.78 -179.763 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.22 -9.94 19.23 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 121.968 1.778 . . . . 5.1500000000000004 110.521 -179.441 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -84.31 90.78 7.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.09 -1.006 . . . . 4.6600000000000001 109.456 179.693 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 11.0 m-20 -84.33 -137.98 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.39 -0.819 . . . . 2.4700000000000002 108.937 179.704 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.3 170.75 37.72 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.338 -1.505 . . . . 1.0600000000000001 109.338 179.832 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.58 129.99 44.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -1.155 . . . . 1.6100000000000001 109.441 -179.903 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 16.8 m-85 -94.24 148.1 22.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.96999999999999997 109.557 179.991 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -139.9 136.94 34.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.161 -0.962 . . . . 0.59999999999999998 109.192 179.224 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -93.21 169.38 10.44 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.329 -0.857 . . . . 1.1000000000000001 109.427 179.952 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' D' ' 342' ' ' ARG . 30.9 tp -149.69 132.84 16.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 1.1000000000000001 109.9 -179.851 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.23 121.85 29.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.39 -0.819 . . . . 1.3600000000000001 109.022 179.456 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' B' ' 341' ' ' PHE . 27.2 mt -123.9 109.7 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.091 -1.005 . . . . 1.1699999999999999 109.905 -179.733 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HB3' ' D' ' 324' ' ' ASP . 1.9 ttt180 -74.04 146.07 44.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 2.79 109.455 179.903 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.07 133.12 8.01 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.593 -1.403 . . . . 0.47999999999999998 109.593 179.856 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttp180 -79.56 -55.66 4.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.178 -1.189 . . . . 3.2200000000000002 109.583 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.54 -44.38 89.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.21 109.53 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.3 -43.77 95.99 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.428 -0.795 . . . . 3.5499999999999998 109.496 -179.887 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 31.4 t80 -55.26 -55.6 29.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.52000000000000002 109.531 -179.9 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -51.65 -37.99 52.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.344 -0.847 . . . . 1.6799999999999999 109.915 -179.661 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.13 -46.11 88.81 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 110.08 -179.529 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' B' ' 332' ' ' ILE . 24.0 m-85 -61.17 -55.69 29.33 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.219 -0.926 . . . . 0.33000000000000002 109.182 179.936 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.464 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.52 -36.46 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 3.02 109.646 179.816 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.6 -46.43 90.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.75 109.677 -179.666 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.312 -179.858 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.48 -47.27 84.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.295 -0.878 . . . . 1.21 109.637 179.869 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.05 -37.14 85.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.275 -0.89 . . . . 1.6899999999999999 110.003 -179.655 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.41 77.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.178 -0.951 . . . . 1.0600000000000001 110.082 -179.636 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0800000000000001 109.753 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.48 -34.99 73.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.9299999999999999 109.628 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.6 tt -65.09 -48.04 75.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.846 . . . . 1.1399999999999999 109.414 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -61.3 -35.61 77.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.347 -0.846 . . . . 2.1899999999999999 109.043 179.865 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.29 74.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.459 -0.776 . . . . 1.4299999999999999 109.521 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.25 76.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.442 179.929 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -81.68 -1.56 47.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 1.3999999999999999 109.569 179.868 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.34 68.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.114 -0.991 . . . . 1.5700000000000001 109.643 -179.781 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 42.52 3.16 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.721 -1.352 . . . . 1.53 109.721 -179.828 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.4 -79.94 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -1.171 . . . . 4.5800000000000001 109.786 -179.854 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.18 154.52 1.38 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.836 . . . . 5.6799999999999997 109.857 -179.656 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.15 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.35 2.033 . . . . 6.0499999999999998 110.238 179.91 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 118.02 -1.433 . . . . 7.2000000000000002 109.551 179.987 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.363 -0.606 . . . . 9.2200000000000006 109.363 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 54.93 93.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.146 -0.971 . . . . 8.5099999999999998 109.406 -179.994 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.3 94.86 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 7.4199999999999999 108.862 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.31 -9.86 19.19 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.916 1.744 . . . . 5.0499999999999998 110.451 -179.389 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.39 90.88 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.119 -0.988 . . . . 5.1399999999999997 109.473 179.644 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.513 ' HB3' ' NH1' ' A' ' 333' ' ' ARG . 11.1 m-20 -84.3 -137.93 0.06 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 2.8500000000000001 109.007 179.646 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.37 170.86 37.77 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.323 -1.511 . . . . 1.27 109.323 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.64 129.94 44.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.148 -1.207 . . . . 2.1099999999999999 109.444 -179.883 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.454 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 16.7 m-85 -94.23 148.16 22.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 1.01 109.571 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.7 m-85 -140.0 136.71 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.976 . . . . 0.57999999999999996 109.227 179.236 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.1 p -92.97 169.25 10.58 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.383 -0.823 . . . . 1.1599999999999999 109.404 -179.988 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 342' ' ' ARG . 30.7 tp -149.57 132.97 16.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.158 -0.964 . . . . 1.1699999999999999 109.906 -179.918 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -86.34 121.85 29.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 1.8100000000000001 108.965 179.563 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' C' ' 341' ' ' PHE . 27.0 mt -123.91 109.77 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 1.1299999999999999 109.818 -179.697 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.02 146.1 44.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 2.8199999999999998 109.49 179.825 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.02 133.05 7.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.615 -1.394 . . . . 0.45000000000000001 109.615 179.907 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.0 ttp180 -79.67 -55.47 4.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -1.144 . . . . 3.0800000000000001 109.531 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.62 -44.35 89.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 2.54 109.443 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.47 -43.61 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 4.1100000000000003 109.56 -179.867 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 329' ' ' THR . 31.1 t80 -55.32 -55.52 30.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.56999999999999995 109.486 -179.893 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -51.64 -37.93 52.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.281 -0.887 . . . . 1.6599999999999999 109.924 -179.708 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.26 -46.01 88.85 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.144 -0.972 . . . . 1.29 110.053 -179.477 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.23 -55.77 28.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.40000000000000002 109.143 179.985 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.454 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.48 -36.42 33.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 3.8500000000000001 109.642 179.791 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.69 -46.37 90.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.99 . . . . 1.78 109.759 -179.736 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.33 -41.42 97.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.857 . . . . 1.1699999999999999 109.368 179.98 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.4 -47.23 84.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.35 -0.844 . . . . 1.2 109.658 179.93 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.97 -37.19 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.329 -0.857 . . . . 2.1200000000000001 110.047 -179.755 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.305 -0.872 . . . . 1.0700000000000001 110.051 -179.556 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.71 -45.02 95.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 1.1399999999999999 109.745 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.49 -35.05 73.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 2.0899999999999999 109.605 -179.952 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' D' ' 351' ' ' LYS . 1.6 tt -64.97 -48.11 75.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 1.3799999999999999 109.512 -179.952 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.7 ttmt -61.27 -35.57 77.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 2.6800000000000002 109.069 179.885 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.03 -39.26 74.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.496 -0.753 . . . . 1.3400000000000001 109.499 179.819 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.24 76.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 1.3 109.471 179.906 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -81.78 -1.56 47.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 1.8 109.486 179.993 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.28 68.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.47 109.76 -179.856 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 42.6 3.16 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.698 -1.361 . . . . 1.6599999999999999 109.698 -179.906 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.51 -79.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -1.151 . . . . 4.7800000000000002 109.826 -179.943 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.08 154.53 1.31 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 6.1900000000000004 109.864 -179.696 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.24 -80.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.268 1.979 . . . . 6.1799999999999997 110.255 179.899 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 117.974 -1.459 . . . . 6.9000000000000004 109.596 -179.986 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.4 -0.593 . . . . 7.6900000000000004 109.4 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 55.07 93.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.924 . . . . 7.4500000000000002 109.368 179.956 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.38 94.86 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.347 -0.845 . . . . 6.8399999999999999 108.81 -179.678 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.28 -9.92 19.32 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 121.94 1.76 . . . . 5.1200000000000001 110.485 -179.405 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.7 mt -84.3 90.84 7.62 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 4.6600000000000001 109.51 179.637 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.49 ' HB3' ' NH1' ' B' ' 333' ' ' ARG . 11.0 m-20 -84.3 -137.98 0.06 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.355 -0.841 . . . . 2.46 109.022 179.663 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.46 170.73 38.32 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.326 -1.51 . . . . 1.0800000000000001 109.326 179.838 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.47 129.91 43.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -1.157 . . . . 1.6699999999999999 109.486 -179.85 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.453 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 16.5 m-85 -94.17 148.14 22.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.887 . . . . 1.01 109.572 179.995 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.9 m-85 -139.96 136.84 34.21 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.193 -0.942 . . . . 0.63 109.25 179.182 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.3 p -92.96 169.47 10.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.481 -0.762 . . . . 1.1299999999999999 109.445 179.97 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' B' ' 342' ' ' ARG . 31.3 tp -149.77 132.85 16.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.064 -1.023 . . . . 1.1000000000000001 109.892 -179.92 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.33 121.89 29.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.962 179.552 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.421 HG22 ' CD2' ' D' ' 341' ' ' PHE . 27.6 mt -123.99 109.78 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 1.1499999999999999 109.814 -179.723 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' B' ' 324' ' ' ASP . 1.9 ttt180 -74.06 146.14 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 2.77 109.458 179.871 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.04 133.07 7.99 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.622 -1.391 . . . . 0.42999999999999999 109.622 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.0 ttp180 -79.64 -55.56 4.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.324 -1.103 . . . . 3.1200000000000001 109.552 -179.919 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.52 -44.55 89.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 2.2200000000000002 109.449 179.896 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.18 -43.71 95.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.376 -0.828 . . . . 3.5 109.574 -179.906 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' B' ' 329' ' ' THR . 31.0 t80 -55.35 -55.51 30.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.344 -0.848 . . . . 0.5 109.48 -179.874 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -51.7 -37.82 52.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.424 -0.798 . . . . 1.6899999999999999 110.008 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.26 -46.04 88.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.225 -0.922 . . . . 1.1399999999999999 109.946 -179.407 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' CD2' HG22 ' D' ' 332' ' ' ILE . 23.8 m-85 -61.36 -55.57 30.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.32000000000000001 109.111 -179.897 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.57 -36.45 34.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.536 -0.728 . . . . 2.96 109.615 179.852 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.58 -46.32 90.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.114 -0.991 . . . . 1.75 109.806 -179.804 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.66 -41.11 97.07 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.0800000000000001 109.364 -179.921 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.55 -47.17 85.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 1.22 109.622 179.845 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.18 -37.0 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 1.73 110.035 -179.627 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.36 77.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 110.033 -179.654 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.7 -45.05 95.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 1.1100000000000001 109.827 -179.718 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.4 -35.09 73.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 1.9099999999999999 109.616 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.6 tt -64.99 -48.15 75.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.855 . . . . 1.1699999999999999 109.423 -179.868 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.7 ttmt -61.31 -35.46 77.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.434 -0.791 . . . . 2.1499999999999999 109.1 179.851 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.33 74.52 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 109.458 179.788 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.24 76.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.3 109.38 179.984 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -81.84 -1.5 47.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.3999999999999999 109.489 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.32 67.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.216 -0.928 . . . . 1.6000000000000001 109.691 -179.853 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 42.73 3.17 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.717 -1.353 . . . . 1.5 109.717 -179.899 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.64 -79.87 0.28 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.076 -1.25 . . . . 4.5499999999999998 109.787 -179.807 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.3 154.52 1.45 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 5.6699999999999999 109.904 -179.753 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.18 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.341 2.027 . . . . 6.1200000000000001 110.157 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.429 0 CA-C-O 118.03 -1.428 . . . . 7.2699999999999996 109.551 -179.986 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.528 -0.545 . . . . 7.6600000000000001 109.528 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.29 -93.57 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 7.5099999999999998 109.435 -179.926 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 56.25 100.81 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.149 -0.97 . . . . 6.8099999999999996 109.471 179.897 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 1.1 Cg_endo -62.93 107.05 0.58 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.964 1.776 . . . . 5.1500000000000004 109.999 -179.953 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.26 -95.17 0.07 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.293 -0.879 . . . . 4.7000000000000002 110.334 -179.523 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.78 0.79 55.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.284 -0.885 . . . . 2.48 110.492 -178.995 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.574 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -66.9 102.91 0.82 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.579 -1.408 . . . . 1.0800000000000001 109.579 -179.333 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.09 121.82 16.01 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.999 -0.707 . . . . 1.7 109.784 179.798 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.59 ' CE1' ' HB3' ' A' ' 322' ' ' PRO . 45.6 m-85 -100.6 151.46 21.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 1.04 109.396 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.64 -169.09 2.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 109.697 -179.699 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 36.8 p -153.25 160.74 42.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 1.1399999999999999 109.325 -179.841 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 130.56 14.9 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 1.0900000000000001 109.604 -179.796 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.71 132.5 33.85 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.47 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' A' ' 341' ' ' PHE . 44.7 mt -123.89 116.63 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.162 -0.961 . . . . 1.1499999999999999 109.44 179.779 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -73.06 150.41 42.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.79 109.598 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.58 7.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.648 -1.381 . . . . 0.45000000000000001 109.648 179.808 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.447 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.6 ttm180 -79.5 -51.67 9.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -1.097 . . . . 3.1600000000000001 109.499 179.945 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.32 90.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 2.2200000000000002 109.826 -179.887 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.95 97.64 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.336 -0.852 . . . . 3.54 109.623 -179.874 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.4 t80 -55.51 -51.77 65.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.355 -0.841 . . . . 0.5 109.527 179.917 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.68 -39.45 61.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 1.6599999999999999 110.006 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.39 -47.15 85.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.255 -0.903 . . . . 1.1499999999999999 110.275 -179.25 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.439 ' CE2' HG22 ' A' ' 332' ' ' ILE . 23.2 m-85 -60.62 -53.08 61.82 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.157 -0.964 . . . . 0.34000000000000002 109.435 -179.759 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.68 -38.75 48.53 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.308 -0.87 . . . . 2.9399999999999999 109.505 179.804 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -61.33 -45.14 95.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.74 109.885 -179.734 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -44.56 96.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.593 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.1 -44.89 87.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.305 -0.872 . . . . 1.22 109.667 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -37.63 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.72 109.729 -179.813 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.9 79.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 109.887 -179.774 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 66.1 mt -61.42 -44.69 96.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 1.0800000000000001 109.942 -179.618 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.0 -35.92 78.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 1.9099999999999999 109.86 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 18.2 tp -64.78 -43.15 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -0.826 . . . . 1.1499999999999999 109.487 -179.806 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -63.08 -49.39 74.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 2.1400000000000001 109.192 179.799 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.72 -33.97 68.99 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.662 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.55 77.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 1.3 109.643 -179.682 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.68 -8.59 59.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.4199999999999999 109.62 -179.818 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -24.71 61.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.145 -0.972 . . . . 1.5800000000000001 109.379 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -6.29 83.84 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.663 -1.375 . . . . 1.54 109.663 179.976 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -86.46 125.87 34.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.114 -1.227 . . . . 4.5499999999999998 109.667 -179.891 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -50.44 150.15 4.95 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 5.71 109.59 -179.989 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.78 129.21 26.83 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.294 1.996 . . . . 6.0899999999999999 110.172 179.835 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.467 -1.453 . . . . 7.2400000000000002 109.467 179.987 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.451 -0.574 . . . . 7.6699999999999999 109.451 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER 58.47 -93.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 7.46 109.402 -179.981 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 64.6 mttt 56.32 100.81 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.135 -0.978 . . . . 6.79 109.392 179.829 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' B' ' 327' ' ' TYR . 1.1 Cg_endo -62.93 107.06 0.58 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.038 1.826 . . . . 5.1500000000000004 109.898 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.39 -95.09 0.07 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 4.6600000000000001 110.352 -179.607 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.62 0.3 55.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.4700000000000002 110.664 -179.087 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.17 102.79 0.76 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.314 -1.422 . . . . 1.0600000000000001 109.672 -179.416 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.23 121.91 16.27 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.837 -0.802 . . . . 1.6100000000000001 109.72 179.778 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' B' ' 322' ' ' PRO . 46.1 m-85 -100.63 151.54 21.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.13 -0.981 . . . . 0.96999999999999997 109.363 179.499 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.6 -169.13 2.54 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.261 -0.899 . . . . 0.59999999999999998 109.794 -179.668 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.3 p -153.29 160.55 42.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 1.1000000000000001 109.321 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.87 130.66 15.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.965 . . . . 1.1000000000000001 109.676 -179.88 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.49 33.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.907 . . . . 1.3600000000000001 109.476 -179.982 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.44 HG22 ' CE2' ' B' ' 341' ' ' PHE . 44.7 mt -123.87 116.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 1.1699999999999999 109.448 179.895 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -72.92 150.44 42.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 2.79 109.556 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.67 7.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.647 -1.381 . . . . 0.47999999999999998 109.647 179.818 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.7 ttm180 -79.56 -51.7 8.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 3.2200000000000002 109.437 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.42 90.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.383 -0.823 . . . . 2.21 109.76 -179.831 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.508 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 11.3 tpp180 -62.11 -44.15 97.29 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.314 -0.866 . . . . 3.5499999999999998 109.6 -179.799 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.2 t80 -55.38 -51.76 65.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.363 -0.835 . . . . 0.52000000000000002 109.554 179.915 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.76 -39.4 62.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.448 -0.783 . . . . 1.6799999999999999 110.008 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.43 -47.09 85.6 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.159 -0.963 . . . . 1.1499999999999999 110.301 -179.245 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' B' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.99 62.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.978 . . . . 0.33000000000000002 109.404 -179.716 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.76 -38.76 49.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 3.02 109.418 179.89 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -61.4 -44.94 96.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 1.75 109.912 -179.709 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 42.9 mt -61.98 -44.58 96.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 1.0700000000000001 109.571 -179.708 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.13 -44.98 88.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 1.21 109.619 179.961 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.83 -37.49 86.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.334 -0.854 . . . . 1.6899999999999999 109.79 -179.857 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.98 79.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 1.0600000000000001 109.806 -179.784 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 67.4 mt -61.42 -44.74 96.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 1.0800000000000001 109.879 -179.518 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.06 -35.9 78.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 1.9299999999999999 109.778 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 18.2 tp -64.68 -43.03 94.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 1.1399999999999999 109.588 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.23 -49.31 74.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.391 -0.818 . . . . 2.1899999999999999 109.171 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.8 -33.91 69.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.485 -0.76 . . . . 1.4299999999999999 109.66 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.52 77.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 1.3100000000000001 109.669 -179.717 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.75 -8.44 59.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.329 -0.857 . . . . 1.3999999999999999 109.623 -179.843 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.68 61.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.149 -0.969 . . . . 1.5700000000000001 109.372 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -6.33 83.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 179.954 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.5 125.9 34.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 4.5800000000000001 109.604 -179.838 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -50.51 150.16 5.04 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 5.6799999999999997 109.548 -179.967 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.84 129.28 27.02 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.222 1.948 . . . . 6.0499999999999998 110.093 179.9 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.003 -1.443 . . . . 7.2000000000000002 109.555 179.975 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.479 -0.563 . . . . 9.2200000000000006 109.479 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.45 -93.6 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 8.5099999999999998 109.492 -179.899 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 64.4 mttt 56.18 100.92 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.103 -0.998 . . . . 7.4199999999999999 109.387 179.874 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 1.2 Cg_endo -63.03 107.09 0.6 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.01 1.806 . . . . 5.0499999999999998 109.97 179.995 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.3 -95.29 0.07 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.171 -0.956 . . . . 5.1399999999999997 110.306 -179.525 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.7 0.64 55.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 2.8500000000000001 110.573 -178.991 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -66.66 102.9 0.81 Allowed Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.247 -1.454 . . . . 1.27 109.646 -179.384 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 121.78 15.91 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.948 -0.737 . . . . 2.1099999999999999 109.837 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' C' ' 322' ' ' PRO . 46.0 m-85 -100.58 151.54 21.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 1.01 109.295 179.552 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.447 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -138.64 -169.13 2.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.57999999999999996 109.732 -179.743 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 36.7 p -153.32 160.68 42.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 1.1599999999999999 109.253 -179.866 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -148.92 130.62 15.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.194 -0.942 . . . . 1.1699999999999999 109.54 -179.749 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.58 33.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.294 -0.879 . . . . 1.8100000000000001 109.519 179.923 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' C' ' 341' ' ' PHE . 44.7 mt -123.87 116.59 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.123 -0.986 . . . . 1.1299999999999999 109.386 179.929 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.05 150.4 42.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.8199999999999998 109.541 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.56 7.06 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.753 -1.339 . . . . 0.45000000000000001 109.753 179.875 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.424 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.7 ttm180 -79.51 -51.68 9.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -1.132 . . . . 3.0800000000000001 109.437 -179.986 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.35 90.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 2.54 109.808 -179.896 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.223 -0.923 . . . . 4.1100000000000003 109.594 -179.758 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.6 t80 -55.51 -51.73 66.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.402 -0.811 . . . . 0.56999999999999995 109.49 179.943 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.77 -39.43 62.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.931 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.34 -47.14 85.53 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.312 -0.867 . . . . 1.29 110.353 -179.295 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' C' ' 332' ' ' ILE . 23.2 m-85 -60.64 -53.11 61.37 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.236 -0.915 . . . . 0.40000000000000002 109.405 -179.762 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -50.78 -38.6 49.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 3.8500000000000001 109.486 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -61.42 -45.03 96.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.233 -0.917 . . . . 1.78 109.92 -179.757 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.83 -44.72 96.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 1.1699999999999999 109.572 -179.666 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -57.96 -45.02 87.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 1.2 109.626 179.962 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.96 -37.5 87.36 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.864 . . . . 2.1200000000000001 109.721 -179.687 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.0 79.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.905 . . . . 1.0700000000000001 109.857 -179.843 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 66.7 mt -61.42 -44.86 96.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.358 -0.839 . . . . 1.1399999999999999 109.895 -179.572 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.92 -35.98 78.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 2.0899999999999999 109.784 -179.809 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.468 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 18.2 tp -64.69 -43.2 94.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.3799999999999999 109.468 -179.792 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.08 -49.34 74.91 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.411 -0.805 . . . . 2.6800000000000002 109.177 179.877 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -34.01 69.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.529 -0.732 . . . . 1.3400000000000001 109.668 179.822 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.65 77.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.883 . . . . 1.3 109.713 -179.772 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.61 -8.56 59.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -0.942 . . . . 1.8 109.542 -179.766 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -24.53 61.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 1.47 109.332 179.997 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -6.23 83.6 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.721 -1.352 . . . . 1.6599999999999999 109.721 179.956 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -86.5 125.98 34.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.14 -1.212 . . . . 4.7800000000000002 109.527 -179.753 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -50.64 150.19 5.19 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 6.1900000000000004 109.61 -179.969 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.82 129.33 27.2 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.27 1.98 . . . . 6.1799999999999997 110.123 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.498 -1.441 . . . . 6.9000000000000004 109.498 -179.98 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.459 -0.571 . . . . 7.6900000000000004 109.459 . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER 58.38 -93.58 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.932 . . . . 7.4500000000000002 109.442 -179.976 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 320' ' ' LYS . 64.3 mttt 56.35 100.84 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.17 -0.956 . . . . 6.8399999999999999 109.419 179.858 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' D' ' 327' ' ' TYR . 1.1 Cg_endo -63.07 107.07 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.018 1.812 . . . . 5.1200000000000001 109.957 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.24 -95.17 0.07 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.343 -0.848 . . . . 4.6600000000000001 110.389 -179.559 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.63 0.53 55.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.196 -0.94 . . . . 2.46 110.589 -179.138 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -66.64 102.84 0.8 Allowed Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.347 -1.406 . . . . 1.0800000000000001 109.638 -179.373 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.06 121.81 15.99 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.969 -0.724 . . . . 1.6699999999999999 109.714 179.815 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' D' ' 322' ' ' PRO . 45.7 m-85 -100.59 151.59 21.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.172 -0.955 . . . . 1.01 109.388 179.454 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.0 m-85 -138.66 -169.19 2.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.63 109.764 -179.684 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.2 p -153.29 160.51 42.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 1.1299999999999999 109.389 -179.897 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.83 130.63 15.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 1.1000000000000001 109.552 -179.765 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -86.83 132.42 33.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 1.3700000000000001 109.444 -179.97 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' D' ' 341' ' ' PHE . 44.0 mt -123.76 116.59 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.173 -0.955 . . . . 1.1499999999999999 109.487 179.817 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.21 150.41 42.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.892 . . . . 2.77 109.537 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.85 138.54 7.11 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.709 -1.356 . . . . 0.42999999999999999 109.709 179.932 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.6 ttm180 -79.52 -51.65 9.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.238 -1.154 . . . . 3.1200000000000001 109.49 179.959 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -42.27 90.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.356 -0.84 . . . . 2.2200000000000002 109.849 -179.861 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 11.4 tpp180 -62.2 -43.98 97.6 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.271 -0.893 . . . . 3.5 109.653 -179.921 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.4 t80 -55.48 -51.77 65.86 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.399 -0.813 . . . . 0.5 109.562 179.899 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.62 -39.46 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.6899999999999999 110.088 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -62.47 -47.11 85.46 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 110.216 -179.215 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' D' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.94 62.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.176 -0.952 . . . . 0.32000000000000001 109.415 -179.689 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.86 -38.67 50.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.296 -0.877 . . . . 2.96 109.543 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -61.25 -45.13 95.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.28 -0.887 . . . . 1.75 109.909 -179.84 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.617 -179.679 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.14 -44.97 88.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.22 109.607 -179.994 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.87 -37.53 87.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.242 -0.911 . . . . 1.73 109.761 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.09 -48.96 79.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 1.0700000000000001 109.813 -179.741 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.508 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 67.2 mt -61.47 -44.86 96.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.868 . . . . 1.1100000000000001 109.858 -179.513 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.84 -35.92 77.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.051 -1.031 . . . . 1.9099999999999999 109.836 -179.845 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 18.4 tp -64.67 -43.18 94.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 1.1699999999999999 109.577 -179.867 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.16 -49.4 74.46 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 2.1499999999999999 109.152 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.69 -33.98 68.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.498 -0.751 . . . . 1.4399999999999999 109.639 179.865 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.49 77.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 1.3 109.717 -179.725 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.81 -8.5 59.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.91 . . . . 1.3999999999999999 109.653 -179.849 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.29 -24.6 61.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.6000000000000001 109.395 179.843 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -6.11 83.51 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.673 -1.371 . . . . 1.5 109.673 -179.974 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -86.5 125.94 34.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -1.166 . . . . 4.5499999999999998 109.655 -179.938 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.65 150.24 5.17 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.369 -0.832 . . . . 5.6699999999999999 109.61 -179.931 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.88 129.29 26.96 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.23 1.953 . . . . 6.1200000000000001 110.107 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.959 -1.467 . . . . 7.2699999999999996 109.593 -179.923 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.462 -0.57 . . . . 7.6600000000000001 109.462 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.6 169.13 0.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 7.5099999999999998 109.45 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.25 94.97 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 6.8099999999999996 109.555 179.908 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -69.13 5.81 1.32 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.424 2.083 . . . . 5.1500000000000004 111.421 179.77 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 323' ' ' LEU . 9.0 mt -79.55 8.2 6.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.805 -1.184 . . . . 4.7000000000000002 110.073 -179.705 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -78.07 -172.83 2.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.191 -0.943 . . . . 2.48 109.527 179.952 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 156.73 53.26 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.65 -1.38 . . . . 1.0800000000000001 109.65 -179.975 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -58.77 134.66 57.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -1.116 . . . . 1.7 109.412 179.983 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 12.1 m-85 -94.45 158.8 15.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 1.04 109.704 -179.897 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 95.3 m-85 -138.48 -168.49 2.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.638 179.973 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.565 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.4 p -154.51 152.53 30.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 1.1399999999999999 109.474 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.03 133.03 18.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 1.0900000000000001 109.578 -179.79 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.0 tt0 -87.53 132.36 34.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.834 . . . . 1.3700000000000001 109.741 -179.864 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 37.0 mt -123.98 115.38 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 109.349 179.65 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.3 148.78 41.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 2.79 109.557 179.933 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.48 133.93 8.21 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.752 -1.339 . . . . 0.45000000000000001 109.752 179.73 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttt180 -70.5 -61.65 1.69 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -1.161 . . . . 3.1600000000000001 109.465 179.839 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.72 -38.69 78.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.892 . . . . 2.2200000000000002 109.55 -179.993 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.486 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.81 -48.64 77.51 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.318 -0.864 . . . . 3.54 109.93 -179.791 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.7 t80 -55.51 -57.86 10.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.893 . . . . 0.5 109.611 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -50.91 -35.43 33.0 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 109.956 -179.731 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.22 -51.32 66.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.066 -1.021 . . . . 1.1499999999999999 110.437 -179.204 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -61.46 -51.63 67.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.063 -1.023 . . . . 0.34000000000000002 109.459 -179.767 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -50.99 -35.81 35.87 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.373 -0.829 . . . . 2.9399999999999999 109.737 179.955 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.33 -50.51 73.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 1.74 109.688 -179.733 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.41 -34.2 74.98 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.213 -0.929 . . . . 1.0700000000000001 109.0 179.927 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.7 -53.96 51.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 1.22 109.721 179.751 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.72 109.884 -179.488 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' B' ' 347' ' ' ALA . . . -60.36 -52.02 67.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 1.0700000000000001 109.899 -179.521 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.17 -43.23 99.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 109.713 -179.729 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.14 -33.36 72.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 1.9099999999999999 109.78 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.411 ' C ' ' CD2' ' A' ' 350' ' ' LEU . 1.4 tt -64.7 -47.69 77.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 1.1499999999999999 109.514 -179.683 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.06 -46.63 89.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 2.1400000000000001 109.011 179.78 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.06 63.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.48 179.496 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.8 81.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.3 109.74 -179.785 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.48 -17.42 42.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 1.4199999999999999 109.589 -179.86 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.82 -18.73 60.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.5800000000000001 109.699 179.931 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -4.77 85.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.088 -1.205 . . . . 1.54 110.088 -179.721 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -86.56 -87.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.123 -1.222 . . . . 4.5499999999999998 109.807 -179.67 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.19 165.28 0.33 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 5.71 109.909 -179.624 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.2 -179.08 0.22 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.376 2.051 . . . . 6.0899999999999999 110.38 -179.999 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.954 -1.47 . . . . 7.2400000000000002 109.523 179.965 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.263 0.554 . . . . 7.6699999999999999 109.558 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.74 169.13 0.09 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 7.46 109.458 180.0 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.12 95.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.31 -0.869 . . . . 6.79 109.579 179.944 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -69.12 5.72 1.35 Allowed 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.489 2.126 . . . . 5.1500000000000004 111.411 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.51 8.19 6.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.796 -1.19 . . . . 4.6600000000000001 110.146 -179.68 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.17 -172.85 2.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.934 . . . . 2.4700000000000002 109.456 -179.969 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.69 156.88 53.3 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.67 -1.372 . . . . 1.0600000000000001 109.67 -179.893 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -58.83 134.65 57.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 1.6100000000000001 109.448 -179.955 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.46 158.73 15.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.96999999999999997 109.734 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 95.1 m-85 -138.32 -168.48 2.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.59999999999999998 109.587 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.579 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 1.1000000000000001 109.467 -179.978 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.0 133.02 18.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 1.1000000000000001 109.505 -179.807 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.431 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 2.0 tt0 -87.47 132.35 34.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 109.739 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 36.5 mt -123.95 115.42 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.288 -0.883 . . . . 1.1699999999999999 109.38 179.613 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.27 148.64 41.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.79 109.563 179.961 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.56 133.98 8.24 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.731 -1.348 . . . . 0.47999999999999998 109.731 179.663 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttt180 -70.62 -61.62 1.7 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -1.12 . . . . 3.2200000000000002 109.391 179.936 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.77 -38.62 78.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.456 -0.778 . . . . 2.21 109.564 -179.945 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.479 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.95 -48.52 78.12 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.32 -0.862 . . . . 3.5499999999999998 109.912 -179.77 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.57 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.32 -57.93 9.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.373 -0.83 . . . . 0.52000000000000002 109.727 -179.842 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.04 -35.24 33.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 1.6799999999999999 109.891 -179.615 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.36 -51.21 66.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.26 -0.9 . . . . 1.1499999999999999 110.39 -179.154 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -61.65 -51.54 68.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.146 -0.971 . . . . 0.33000000000000002 109.4 -179.641 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.85 -36.04 35.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.359 -0.838 . . . . 3.02 109.693 179.845 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.21 -50.42 73.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.129 -0.982 . . . . 1.75 109.782 -179.682 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.41 -34.26 75.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -0.917 . . . . 1.0700000000000001 108.99 179.876 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.68 -53.91 52.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.21 109.825 179.775 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.26 -33.99 76.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.6899999999999999 109.994 -179.617 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 347' ' ' ALA . . . -60.27 -52.11 66.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 1.0600000000000001 109.874 -179.551 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.16 -43.24 99.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 1.0800000000000001 109.616 -179.668 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.25 -33.21 71.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.801 -179.97 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' B' ' 350' ' ' LEU . 1.4 tt -64.82 -47.59 77.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 1.1399999999999999 109.494 -179.648 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 23.4 ttmm -61.16 -46.52 90.17 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.774 . . . . 2.1899999999999999 109.012 179.766 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.16 63.64 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.629 -0.669 . . . . 1.4299999999999999 109.357 179.51 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.8 81.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 1.3100000000000001 109.693 -179.656 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.39 -17.44 42.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 1.3999999999999999 109.687 -179.92 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.86 -18.63 60.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 1.5700000000000001 109.668 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -4.75 85.09 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 110.072 -1.211 . . . . 1.53 110.072 -179.765 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -86.6 -87.17 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -1.213 . . . . 4.5800000000000001 109.822 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.24 165.3 0.34 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 5.6799999999999997 109.885 -179.644 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.24 -179.03 0.22 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.411 2.074 . . . . 6.0499999999999998 110.338 -179.98 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.987 -1.452 . . . . 7.2000000000000002 109.485 179.974 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.251 0.548 . . . . 9.2200000000000006 109.606 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.66 169.1 0.09 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.221 -0.924 . . . . 8.5099999999999998 109.439 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.16 95.13 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 7.4199999999999999 109.557 179.921 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -69.18 5.72 1.38 Allowed 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.421 2.081 . . . . 5.0499999999999998 111.383 179.777 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.412 ' N ' HD21 ' C' ' 323' ' ' LEU . 8.9 mt -79.44 8.15 6.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.809 -1.182 . . . . 5.1399999999999997 110.158 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -78.11 -172.78 2.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 2.8500000000000001 109.549 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 156.81 53.43 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.666 -1.374 . . . . 1.27 109.666 -179.863 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.78 134.67 57.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.172 -1.193 . . . . 2.1099999999999999 109.469 -179.922 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.4 158.92 15.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.897 . . . . 1.01 109.693 -179.908 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 95.2 m-85 -138.59 -168.49 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.337 -0.852 . . . . 0.57999999999999996 109.586 179.982 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.4 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 1.1599999999999999 109.469 -179.879 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.01 133.07 18.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.102 -0.999 . . . . 1.1699999999999999 109.508 -179.815 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.0 tt0 -87.5 132.36 34.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.171 -0.956 . . . . 1.8100000000000001 109.824 -179.948 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 36.3 mt -123.99 115.33 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 1.1299999999999999 109.392 179.683 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.23 148.82 41.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 2.8199999999999998 109.554 179.994 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.51 133.94 8.21 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.779 -1.328 . . . . 0.45000000000000001 109.779 179.64 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttt180 -70.52 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -1.077 . . . . 3.0800000000000001 109.469 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.85 -38.48 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 2.54 109.542 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.54 78.18 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.345 -0.847 . . . . 4.1100000000000003 109.982 -179.847 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.0 t80 -55.46 -57.82 10.32 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.358 -0.838 . . . . 0.56999999999999995 109.716 -179.81 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.1 -35.14 33.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 1.6599999999999999 109.903 -179.694 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.44 -51.23 66.58 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.171 -0.956 . . . . 1.29 110.319 -179.178 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -61.74 -51.39 68.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.085 -1.009 . . . . 0.40000000000000002 109.459 -179.628 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.03 -35.9 36.73 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.419 -0.801 . . . . 3.8500000000000001 109.723 179.811 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.14 -50.57 73.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.114 -0.991 . . . . 1.78 109.738 -179.776 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.39 -34.33 75.17 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.91 . . . . 1.1699999999999999 108.989 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.58 -53.97 51.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 1.2 109.83 179.738 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.25 -33.95 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.89 . . . . 2.1200000000000001 109.985 -179.578 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' D' ' 347' ' ' ALA . . . -60.26 -52.12 66.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.945 . . . . 1.0700000000000001 109.955 -179.647 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.2 -43.23 99.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 1.1399999999999999 109.612 -179.677 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.17 -33.27 71.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 2.0899999999999999 109.82 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -64.75 -47.58 77.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 1.3799999999999999 109.537 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.23 -46.54 89.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.338 -0.851 . . . . 2.6800000000000002 108.936 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -30.02 63.59 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.54 -0.725 . . . . 1.3400000000000001 109.486 179.461 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.76 81.72 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.329 -0.857 . . . . 1.3 109.651 -179.697 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.44 -17.32 42.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.8 109.709 -179.93 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.68 60.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.926 . . . . 1.47 109.626 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.61 -4.84 85.1 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 110.019 -1.232 . . . . 1.6599999999999999 110.019 -179.721 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -86.49 -87.18 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -1.226 . . . . 4.7800000000000002 109.857 -179.71 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.26 165.23 0.34 Allowed Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.241 -0.912 . . . . 6.1900000000000004 109.892 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.06 -178.83 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.306 2.004 . . . . 6.1799999999999997 110.392 -179.998 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 117.984 -1.453 . . . . 6.9000000000000004 109.502 179.959 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.518 -0.549 . . . . 7.6900000000000004 109.518 . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.61 169.14 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 7.4500000000000002 109.474 -179.991 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.15 95.05 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.198 -0.939 . . . . 6.8399999999999999 109.593 179.982 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -69.18 5.85 1.33 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.467 2.112 . . . . 5.1200000000000001 111.44 179.743 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.406 ' N ' HD21 ' D' ' 323' ' ' LEU . 9.0 mt -79.57 8.15 6.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.892 -1.13 . . . . 4.6600000000000001 110.124 -179.719 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.93 -172.83 2.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.138 -0.977 . . . . 2.46 109.58 179.931 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 156.72 53.34 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.651 -1.38 . . . . 1.0800000000000001 109.651 -179.943 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -58.64 134.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -1.117 . . . . 1.6699999999999999 109.502 179.944 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.3 m-85 -94.59 158.82 15.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 1.01 109.645 -179.848 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.1 m-85 -138.52 -168.51 2.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 0.63 109.59 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.57 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -154.48 152.54 30.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 1.1299999999999999 109.446 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 10.2 tp -148.06 133.0 18.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 1.1000000000000001 109.541 -179.811 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.476 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 2.1 tt0 -87.44 132.3 34.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 1.3700000000000001 109.871 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 37.0 mt -123.93 115.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 1.1499999999999999 109.378 179.581 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.42 148.7 40.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 2.77 109.521 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.6 133.8 8.17 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.722 -1.351 . . . . 0.42999999999999999 109.722 179.628 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.6 ttt180 -70.35 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.144 . . . . 3.1200000000000001 109.503 179.818 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.8 -38.54 78.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.443 -0.786 . . . . 2.2200000000000002 109.579 -179.967 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -48.49 78.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.315 -0.866 . . . . 3.5 109.933 -179.787 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.7 t80 -55.5 -57.92 9.9 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.386 -0.821 . . . . 0.5 109.625 -179.797 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.01 -35.24 33.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.859 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.43 -51.25 66.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 1.1399999999999999 110.275 -179.095 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -61.56 -51.57 68.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.112 -0.992 . . . . 0.32000000000000001 109.403 -179.642 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.0 -35.91 36.47 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.428 -0.795 . . . . 2.96 109.675 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.26 -50.42 73.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 1.75 109.734 -179.705 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.44 -34.24 75.07 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.25 -0.906 . . . . 1.0800000000000001 108.988 179.923 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -59.76 -53.94 52.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.793 . . . . 1.22 109.751 179.776 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.18 -34.11 76.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 1.73 109.942 -179.594 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' C' ' 347' ' ' ALA . . . -60.03 -52.21 66.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 1.0700000000000001 109.927 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.17 -43.35 99.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.289 -0.882 . . . . 1.1100000000000001 109.612 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.2 -33.19 71.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.28 -0.887 . . . . 1.9099999999999999 109.816 179.996 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' D' ' 350' ' ' LEU . 1.4 tt -64.72 -47.69 77.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.302 -0.874 . . . . 1.1699999999999999 109.492 -179.74 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.17 -46.57 89.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.873 . . . . 2.1499999999999999 108.944 179.828 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -30.08 63.52 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.682 -0.636 . . . . 1.4399999999999999 109.466 179.54 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.83 82.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 1.3 109.729 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.39 -17.41 42.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.124 -0.985 . . . . 1.3999999999999999 109.716 -179.957 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.83 -18.69 60.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.075 -1.016 . . . . 1.6000000000000001 109.732 179.915 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -4.7 84.97 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.984 -1.246 . . . . 1.5 109.984 -179.696 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -86.63 -87.19 0.14 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.147 -1.208 . . . . 4.5499999999999998 109.791 -179.691 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.16 165.25 0.33 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 5.6699999999999999 109.894 -179.634 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.13 -178.99 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.369 2.046 . . . . 6.1200000000000001 110.355 179.985 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.018 -1.434 . . . . 7.2699999999999996 109.534 179.964 . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.472 -0.566 . . . . 7.6600000000000001 109.472 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 1.9 ttpp 80.04 -25.78 0.17 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.519 -0.738 . . . . 7.5099999999999998 110.864 179.806 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 58.23 85.87 0.18 Allowed Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 120.831 -1.168 . . . . 6.8099999999999996 109.798 -179.928 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -67.58 -3.88 11.03 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.191 1.927 . . . . 5.1500000000000004 110.565 179.818 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 323' ' ' LEU . 4.5 mm? -83.95 12.02 6.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 4.7000000000000002 109.634 179.837 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 5.8 m-20 -78.12 -130.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.351 -0.843 . . . . 2.48 109.369 -179.771 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 143.33 42.39 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.539 -1.425 . . . . 1.0800000000000001 109.539 -179.809 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -60.46 144.57 50.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.519 -0.989 . . . . 1.7 109.649 -179.903 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -94.85 155.98 16.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.237 -0.914 . . . . 1.04 109.068 179.387 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -138.54 -168.82 2.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 0.65000000000000002 109.791 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.6 p -155.12 158.22 38.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.403 -0.811 . . . . 1.1399999999999999 109.358 -179.903 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.9 tp -147.95 128.83 14.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 1.0900000000000001 109.427 -179.96 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -86.84 129.43 34.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 1.3700000000000001 109.61 -179.827 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.91 119.07 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.927 . . . . 1.1499999999999999 109.468 179.672 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.4 149.75 42.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 2.79 109.51 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.59 5.98 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.716 -1.354 . . . . 0.45000000000000001 109.716 179.889 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 tpt180 -80.16 -51.66 8.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -1.152 . . . . 3.1600000000000001 109.572 179.937 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.251 -0.906 . . . . 2.2200000000000002 109.697 -179.698 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.468 ' NH1' HD12 ' C' ' 348' ' ' LEU . 9.0 tpp180 -63.32 -44.76 94.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.263 -0.898 . . . . 3.54 109.589 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.9 t80 -53.59 -49.98 66.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.358 -0.839 . . . . 0.5 109.455 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 20.6 mt-10 -52.57 -39.86 61.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.827 . . . . 1.6599999999999999 109.833 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.21 -45.48 93.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.296 -0.877 . . . . 1.1499999999999999 110.176 -179.257 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -61.44 -53.38 57.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.161 -0.962 . . . . 0.34000000000000002 109.282 -179.837 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.67 -39.04 49.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.9399999999999999 109.82 179.924 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.85 -44.88 96.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.158 -0.964 . . . . 1.74 109.873 -179.682 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.01 -44.83 95.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.571 -179.738 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.08 -43.73 87.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 1.22 109.723 179.996 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -38.9 93.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.897 . . . . 1.72 109.94 -179.697 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.54 77.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 109.976 -179.684 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.454 HD12 ' NH1' ' C' ' 337' ' ' ARG . 43.8 mt -61.52 -43.74 98.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 1.0800000000000001 109.663 -179.758 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 -36.27 76.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.9099999999999999 109.675 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.416 HD22 ' NE2' ' B' ' 354' ' ' GLN . 8.7 tp -64.57 -45.7 85.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 109.7 -179.909 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -41.51 97.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.263 -0.898 . . . . 2.1400000000000001 109.076 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.2 -32.42 66.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.566 -0.709 . . . . 1.4299999999999999 109.697 179.682 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.8 88.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.9 . . . . 1.3 109.813 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.404 ' NE2' HD22 ' B' ' 350' ' ' LEU . 10.4 mt-30 -81.32 -5.16 57.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.4199999999999999 109.629 -179.786 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -82.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.05 -1.031 . . . . 1.5800000000000001 109.17 179.665 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 61.49 4.64 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.552 -1.419 . . . . 1.54 109.552 179.766 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 357' ' ' LYS . 22.0 tttp -86.64 13.31 8.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -1.117 . . . . 4.5499999999999998 109.566 -179.87 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.0 160.96 0.45 Allowed Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.223 -0.923 . . . . 5.71 109.686 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.71 -81.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.325 2.017 . . . . 6.0899999999999999 110.335 -179.809 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.53 -1.428 . . . . 7.2400000000000002 109.53 -179.941 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.503 -0.554 . . . . 7.6699999999999999 109.503 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 1.9 ttpp 79.96 -25.76 0.17 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.465 -0.772 . . . . 7.46 110.827 179.763 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.28 86.0 0.17 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 120.801 -1.187 . . . . 6.79 109.717 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -67.7 -3.9 11.19 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.28 1.986 . . . . 5.1500000000000004 110.522 179.883 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' B' ' 323' ' ' LEU . 4.5 mm? -83.9 11.89 6.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.092 -1.005 . . . . 4.6600000000000001 109.683 179.852 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 5.8 m-20 -77.99 -130.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.316 -0.865 . . . . 2.4700000000000002 109.392 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.0 143.23 42.97 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.593 -1.403 . . . . 1.0600000000000001 109.593 -179.945 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -60.6 144.57 51.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -1.071 . . . . 1.6100000000000001 109.614 -179.88 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -94.82 155.91 16.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.96999999999999997 109.089 179.42 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.8 m-85 -138.49 -168.89 2.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.159 -0.963 . . . . 0.59999999999999998 109.752 -179.824 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 16.3 p -154.93 158.28 39.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.297 -0.877 . . . . 1.1000000000000001 109.317 -179.869 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.8 tp -147.9 128.8 14.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.16 -0.963 . . . . 1.1000000000000001 109.482 179.985 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.4 34.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 1.3600000000000001 109.694 -179.907 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.95 119.11 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 1.1699999999999999 109.4 179.749 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.45 149.79 42.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.193 -0.942 . . . . 2.79 109.463 -179.973 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.7 6.02 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.701 -1.36 . . . . 0.47999999999999998 109.701 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 tpt180 -80.33 -51.53 8.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -1.164 . . . . 3.2200000000000002 109.575 179.962 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.21 109.71 -179.773 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 9.0 tpp180 -63.31 -44.77 94.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.303 -0.873 . . . . 3.5499999999999998 109.594 179.956 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 59.2 t80 -53.71 -49.95 66.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.838 . . . . 0.52000000000000002 109.415 -179.905 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 20.6 mt-10 -52.61 -39.73 61.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 1.6799999999999999 109.858 -179.979 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.28 -45.45 93.21 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.246 -0.909 . . . . 1.1499999999999999 110.195 -179.341 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -61.45 -53.3 58.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.179 -0.951 . . . . 0.33000000000000002 109.383 -179.896 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.76 -38.98 51.05 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.315 -0.865 . . . . 3.02 109.734 179.932 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.92 -44.89 96.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.119 -0.988 . . . . 1.75 109.817 -179.624 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -61.97 -44.85 95.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 1.0700000000000001 109.645 -179.769 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.19 -43.5 87.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.21 109.735 -179.969 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.27 -38.95 93.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.401 -0.812 . . . . 1.6899999999999999 109.848 -179.718 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.61 76.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -0.873 . . . . 1.0600000000000001 109.948 -179.677 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.417 HD12 ' NH1' ' D' ' 337' ' ' ARG . 44.9 mt -61.51 -43.82 98.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 109.56 -179.689 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -59.82 -36.27 76.45 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.291 -0.881 . . . . 1.9299999999999999 109.728 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.404 HD22 ' NE2' ' A' ' 354' ' ' GLN . 8.7 tp -64.64 -45.75 85.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 1.1399999999999999 109.625 -179.912 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -41.61 97.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.887 . . . . 2.1899999999999999 109.083 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.25 -32.34 66.46 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 1.4299999999999999 109.639 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.72 88.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 1.3100000000000001 109.724 -179.621 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.416 ' NE2' HD22 ' A' ' 350' ' ' LEU . 10.5 mt-30 -81.32 -5.1 57.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.643 -179.893 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -82.48 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 1.5700000000000001 109.165 179.632 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.14 61.38 4.66 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.612 -1.395 . . . . 1.53 109.612 179.77 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' B' ' 357' ' ' LYS . 22.0 tttp -86.48 13.15 8.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -1.204 . . . . 4.5800000000000001 109.594 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.84 160.91 0.44 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 5.6799999999999997 109.625 -179.788 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.79 -80.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.232 1.955 . . . . 6.0499999999999998 110.386 -179.893 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.538 -1.425 . . . . 7.2000000000000002 109.538 -179.973 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.588 -0.523 . . . . 9.2200000000000006 109.588 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 1.9 ttpp 80.05 -25.71 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.426 -0.796 . . . . 8.5099999999999998 110.847 179.858 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.32 85.91 0.17 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 120.743 -1.223 . . . . 7.4199999999999999 109.735 179.978 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -67.55 -4.01 11.23 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.2 1.934 . . . . 5.0499999999999998 110.525 179.82 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.437 ' CD2' ' N ' ' C' ' 323' ' ' LEU . 4.5 mm? -83.9 12.07 6.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.046 -1.034 . . . . 5.1399999999999997 109.723 179.879 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 5.8 m-20 -78.1 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 2.8500000000000001 109.327 -179.748 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.33 143.23 42.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.549 -1.42 . . . . 1.27 109.549 -179.867 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -60.38 144.53 50.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.441 -1.035 . . . . 2.1099999999999999 109.705 -179.878 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.9 155.9 16.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 1.01 109.061 179.436 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.0 m-85 -138.46 -168.85 2.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.95 . . . . 0.57999999999999996 109.794 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.5 p -155.08 158.15 38.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 1.1599999999999999 109.367 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.9 tp -147.8 128.87 14.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.239 -0.913 . . . . 1.1699999999999999 109.493 -179.975 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -86.85 129.37 34.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 1.8100000000000001 109.662 -179.859 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.5 mt -123.95 119.19 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 1.1299999999999999 109.344 179.72 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.48 149.72 42.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 2.8199999999999998 109.55 179.995 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.12 135.64 6.05 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.692 -1.363 . . . . 0.45000000000000001 109.692 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 tpt180 -80.26 -51.64 8.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 3.0800000000000001 109.531 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.5 -44.7 85.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 2.54 109.638 -179.705 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.454 ' NH1' HD12 ' A' ' 348' ' ' LEU . 9.0 tpp180 -63.14 -44.84 94.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.349 -0.844 . . . . 4.1100000000000003 109.683 179.941 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -53.67 -49.9 66.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.56999999999999995 109.404 -179.936 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 20.7 mt-10 -52.6 -39.85 62.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 1.6599999999999999 109.897 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.17 -45.47 93.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.289 -0.882 . . . . 1.29 110.245 -179.294 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -61.35 -53.43 56.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.155 -0.966 . . . . 0.40000000000000002 109.272 -179.89 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.78 -38.94 51.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 3.8500000000000001 109.767 -179.952 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.85 -44.9 96.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 1.78 109.879 -179.687 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.04 -44.84 95.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 1.1699999999999999 109.541 -179.717 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.09 -43.68 87.2 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.255 -0.903 . . . . 1.2 109.697 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.15 -39.02 93.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.28 -0.887 . . . . 2.1200000000000001 109.901 -179.665 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.64 76.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 1.0700000000000001 109.973 -179.694 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.468 HD12 ' NH1' ' A' ' 337' ' ' ARG . 44.4 mt -61.52 -43.85 98.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.872 . . . . 1.1399999999999999 109.567 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.73 -36.32 76.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 2.0899999999999999 109.698 -179.941 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.51 HD22 ' NE2' ' D' ' 354' ' ' GLN . 8.8 tp -64.74 -45.61 85.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 1.3799999999999999 109.645 -179.785 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -41.6 97.17 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.35 -0.844 . . . . 2.6800000000000002 109.122 179.932 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.21 -32.35 66.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.611 -0.681 . . . . 1.3400000000000001 109.665 179.703 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.8 88.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 1.3 109.786 -179.678 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -81.22 -5.24 57.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.8 109.629 -179.849 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.54 -82.38 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 1.47 109.195 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 61.42 4.66 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.601 -1.399 . . . . 1.6599999999999999 109.601 179.721 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 22.0 tttp -86.54 13.18 8.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -1.202 . . . . 4.7800000000000002 109.658 -179.885 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.87 160.78 0.45 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 6.1900000000000004 109.668 -179.844 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.55 -81.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.332 2.021 . . . . 6.1799999999999997 110.318 -179.895 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.464 -1.454 . . . . 6.9000000000000004 109.464 -179.952 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.563 -0.532 . . . . 7.6900000000000004 109.563 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 1.9 ttpp 79.86 -25.6 0.18 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.474 -0.766 . . . . 7.4500000000000002 110.892 179.813 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.33 85.97 0.17 Allowed Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 120.863 -1.148 . . . . 6.8399999999999999 109.696 179.913 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -67.7 -3.9 11.17 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.256 1.971 . . . . 5.1200000000000001 110.505 179.875 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' D' ' 323' ' ' LEU . 4.5 mm? -83.95 12.0 6.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.071 -1.018 . . . . 4.6600000000000001 109.734 179.867 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 5.9 m-20 -78.15 -130.42 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.46 109.338 -179.713 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.31 143.3 42.52 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.486 -1.445 . . . . 1.0800000000000001 109.486 -179.765 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -60.53 144.52 51.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -1.026 . . . . 1.6699999999999999 109.702 -179.869 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -94.89 155.97 16.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 1.01 109.104 179.48 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.3 m-85 -138.49 -168.95 2.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.63 109.802 -179.718 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 16.4 p -154.97 158.33 39.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 1.1299999999999999 109.336 179.987 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.9 tp -147.89 128.77 14.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 1.1000000000000001 109.438 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.42 34.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 1.3700000000000001 109.601 -179.885 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.97 119.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.897 . . . . 1.1499999999999999 109.32 179.694 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.56 149.75 41.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 2.77 109.52 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.09 135.63 6.03 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.688 -1.365 . . . . 0.42999999999999999 109.688 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 tpt180 -80.27 -51.62 8.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -1.17 . . . . 3.1200000000000001 109.511 179.953 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.51 -44.59 85.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.2200000000000002 109.669 -179.676 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.417 ' NH1' HD12 ' B' ' 348' ' ' LEU . 9.0 tpp180 -63.36 -44.77 93.86 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.282 -0.886 . . . . 3.5 109.597 179.979 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' B' ' 329' ' ' THR . 59.2 t80 -53.64 -49.93 66.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.381 -0.824 . . . . 0.5 109.411 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 20.7 mt-10 -52.73 -39.74 62.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.269 -0.894 . . . . 1.6899999999999999 109.854 -179.877 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.15 -45.46 93.33 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.204 -0.935 . . . . 1.1399999999999999 110.242 -179.395 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -61.51 -53.23 59.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.32000000000000001 109.317 -179.881 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.85 -38.96 52.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.476 -0.765 . . . . 2.96 109.725 179.985 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.89 -44.79 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.18 -0.95 . . . . 1.75 109.956 -179.686 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.05 -44.85 95.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.171 -0.956 . . . . 1.0800000000000001 109.527 -179.808 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -58.25 -43.58 87.9 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.276 -0.89 . . . . 1.22 109.649 -179.862 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -39.01 93.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 1.73 109.91 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.62 76.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 109.899 -179.604 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 43.9 mt -61.45 -43.74 98.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 1.1100000000000001 109.612 -179.706 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.95 -36.24 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 1.9099999999999999 109.582 -179.856 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.63 -45.67 85.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 1.1699999999999999 109.722 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 2.1499999999999999 109.096 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.21 -32.39 66.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.478 -0.764 . . . . 1.4399999999999999 109.632 179.71 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.865 . . . . 1.3 109.845 -179.685 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.51 ' NE2' HD22 ' C' ' 350' ' ' LEU . 10.5 mt-30 -81.39 -5.09 57.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 1.3999999999999999 109.608 -179.845 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -82.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 1.6000000000000001 109.186 179.616 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 61.37 4.67 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.567 -1.413 . . . . 1.5 109.567 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' D' ' 357' ' ' LYS . 22.1 tttp -86.52 13.24 8.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -1.146 . . . . 4.5499999999999998 109.598 -179.929 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.93 160.83 0.45 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.184 -0.947 . . . . 5.6699999999999999 109.586 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.6 -81.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.28 1.987 . . . . 6.1200000000000001 110.389 -179.925 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.983 -1.454 . . . . 7.2699999999999996 109.54 -179.948 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 65.8 mttt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 7.6600000000000001 109.534 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.19 116.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.865 . . . . 7.5099999999999998 109.77 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.21 107.31 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 6.8099999999999996 109.585 179.822 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.81 -82.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.904 1.736 . . . . 5.1500000000000004 110.066 -179.992 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 33.2 mt -82.64 108.05 15.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.973 . . . . 4.7000000000000002 109.335 179.759 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.84 161.56 25.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.27 -0.894 . . . . 2.48 109.566 -179.876 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.72 159.05 51.03 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.428 -1.469 . . . . 1.0800000000000001 109.428 179.994 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -58.72 129.03 40.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.136 -1.214 . . . . 1.7 109.566 -179.896 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 18.6 m-85 -93.79 156.61 16.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 1.04 109.379 179.921 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -139.47 -172.79 3.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 109.463 179.802 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 2.4 p -153.22 160.99 42.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.21 -0.931 . . . . 1.1399999999999999 109.476 -179.84 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' C' ' 329' ' ' THR . 20.9 tp -147.75 126.82 12.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 1.0900000000000001 109.507 -179.826 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.8 126.84 34.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.3700000000000001 109.427 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.82 117.84 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 1.1499999999999999 109.663 179.957 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.43 151.08 39.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 2.79 109.513 179.858 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.32 133.23 7.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.833 -1.307 . . . . 0.45000000000000001 109.833 179.764 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.5 ttp180 -75.89 -60.09 2.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.08 . . . . 3.1600000000000001 109.491 179.858 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 24.2 pt-20 -59.01 -40.81 86.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 2.2200000000000002 109.671 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.23 -47.95 83.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.291 -0.881 . . . . 3.54 109.543 -179.916 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' C' ' 329' ' ' THR . 48.8 t80 -55.49 -47.82 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.413 -0.804 . . . . 0.5 109.595 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.39 -37.01 46.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.332 -0.855 . . . . 1.6599999999999999 109.976 -179.761 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -62.62 -46.99 85.69 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 1.1499999999999999 109.907 -179.4 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -61.22 -51.91 67.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.34000000000000002 109.328 -179.974 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.53 -38.69 46.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.541 -0.725 . . . . 2.9399999999999999 109.774 179.933 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.61 -49.85 75.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.034 -1.041 . . . . 1.74 109.736 -179.754 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.54 -33.52 73.97 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.169 -0.957 . . . . 1.0700000000000001 108.948 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.34 -53.63 56.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 1.22 109.632 179.815 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' HE3' ' B' ' 351' ' ' LYS . 0.9 OUTLIER -62.59 -34.29 76.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.432 -0.793 . . . . 1.72 109.892 -179.565 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.82 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 1.0700000000000001 110.075 -179.625 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.503 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 51.0 mt -61.61 -43.06 99.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -0.914 . . . . 1.0800000000000001 109.793 -179.536 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -59.86 -37.73 80.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.9099999999999999 109.827 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.08 -44.93 90.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 1.1499999999999999 109.775 -179.729 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -61.98 -40.31 95.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.371 -0.831 . . . . 2.1400000000000001 109.182 -179.959 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.43 -33.18 65.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.587 -0.696 . . . . 1.4299999999999999 109.633 179.885 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.73 64.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 1.3 109.544 -179.956 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.28 -2.23 48.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 1.4199999999999999 109.635 179.983 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.24 -81.62 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.951 . . . . 1.5800000000000001 109.582 -179.915 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.79 95.12 0.08 OUTLIER Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.686 -1.366 . . . . 1.54 109.686 -179.84 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -87.22 111.42 20.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -1.13 . . . . 4.5499999999999998 109.4 179.865 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.72 147.65 8.15 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.245 -0.909 . . . . 5.71 109.613 -179.953 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.95 145.79 96.65 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.124 1.883 . . . . 6.0899999999999999 110.283 179.896 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.985 -1.453 . . . . 7.2400000000000002 109.553 179.972 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.387 0.613 . . . . 7.6699999999999999 109.422 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.04 116.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.937 . . . . 7.46 109.717 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.2 107.23 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.44 -0.787 . . . . 6.79 109.566 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.57 -82.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.988 1.792 . . . . 5.1500000000000004 110.11 179.922 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 33.3 mt -82.52 107.98 15.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 4.6600000000000001 109.343 179.757 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.89 161.51 25.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 2.4700000000000002 109.493 -179.858 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -67.66 158.96 51.01 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.489 -1.444 . . . . 1.0600000000000001 109.489 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.75 128.96 39.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.202 -1.175 . . . . 1.6100000000000001 109.618 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 18.7 m-85 -93.66 156.72 16.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.293 -0.879 . . . . 0.96999999999999997 109.404 179.922 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.4 m-85 -139.66 -172.83 3.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.59999999999999998 109.359 179.928 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 2.4 p -153.24 160.98 42.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 1.1000000000000001 109.502 -179.739 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' D' ' 329' ' ' THR . 20.8 tp -147.82 126.83 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 1.1000000000000001 109.503 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 26.4 tt0 -86.81 126.91 34.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.312 -0.867 . . . . 1.3600000000000001 109.405 179.952 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.6 mt -123.83 117.8 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.165 -0.959 . . . . 1.1699999999999999 109.626 -179.984 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -74.42 151.12 39.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 2.79 109.457 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.28 133.14 7.19 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.774 -1.33 . . . . 0.47999999999999998 109.774 179.666 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 38.6 ttp180 -75.86 -60.08 2.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -1.15 . . . . 3.2200000000000002 109.501 179.899 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 24.1 pt-20 -58.98 -40.75 85.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.357 -0.84 . . . . 2.21 109.614 179.968 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -47.95 83.85 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.364 -0.835 . . . . 3.5499999999999998 109.53 -179.86 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.1 t80 -55.36 -47.89 75.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.421 -0.799 . . . . 0.52000000000000002 109.662 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.35 -37.03 45.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.36 -0.837 . . . . 1.6799999999999999 110.008 -179.772 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.63 -46.91 86.06 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.177 -0.952 . . . . 1.1499999999999999 109.934 -179.392 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.25 -51.91 66.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.33000000000000002 109.326 -179.982 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.59 -38.64 46.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -0.809 . . . . 3.02 109.786 179.967 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.65 -49.79 76.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 1.75 109.806 -179.844 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.51 -33.55 74.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.19 -0.943 . . . . 1.0700000000000001 108.979 179.762 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -59.39 -53.58 56.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.579 -0.7 . . . . 1.21 109.627 179.782 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -34.23 76.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 1.6899999999999999 109.878 -179.54 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.9 -48.88 79.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.188 -0.945 . . . . 1.0600000000000001 110.052 -179.639 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 50.6 mt -61.51 -43.23 99.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 1.0800000000000001 109.746 -179.534 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.81 -37.78 80.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 1.9299999999999999 109.828 -179.836 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.05 -44.97 90.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 1.1399999999999999 109.809 -179.787 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 346' ' ' GLU . 13.6 ttmm -61.89 -40.39 95.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 2.1899999999999999 109.181 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.38 -33.2 65.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.399 -0.813 . . . . 1.4299999999999999 109.575 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.78 64.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 1.3100000000000001 109.437 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -81.23 -2.29 48.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.318 -0.864 . . . . 1.3999999999999999 109.675 -179.909 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.12 -81.66 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.22 -0.925 . . . . 1.5700000000000001 109.631 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.81 95.17 0.08 OUTLIER Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.686 -1.366 . . . . 1.53 109.686 -179.838 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -87.33 111.52 21.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -1.132 . . . . 4.5800000000000001 109.332 179.901 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.82 147.67 8.32 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.203 -0.936 . . . . 5.6799999999999997 109.537 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.84 145.74 96.92 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.141 1.894 . . . . 6.0499999999999998 110.227 179.822 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.964 -1.465 . . . . 7.2000000000000002 109.541 179.878 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.314 0.578 . . . . 9.2200000000000006 109.51 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.1 116.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 8.5099999999999998 109.744 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.33 107.23 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 7.4199999999999999 109.563 179.758 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.71 -82.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 121.905 1.737 . . . . 5.0499999999999998 110.136 179.916 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -82.51 108.04 15.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.114 -0.991 . . . . 5.1399999999999997 109.316 179.729 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.82 161.6 25.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.352 -0.842 . . . . 2.8500000000000001 109.491 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.75 159.04 51.09 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.325 -1.51 . . . . 1.27 109.325 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -58.77 129.03 40.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.203 -1.175 . . . . 2.1099999999999999 109.552 -179.915 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 18.5 m-85 -93.8 156.7 16.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 1.01 109.366 179.903 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.1 m-85 -139.58 -172.85 3.46 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.179 -0.951 . . . . 0.57999999999999996 109.415 179.938 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 2.4 p -153.29 160.92 42.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.1599999999999999 109.481 -179.832 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 329' ' ' THR . 20.8 tp -147.71 126.81 12.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 1.1699999999999999 109.514 -179.847 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.7 126.73 34.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.856 . . . . 1.8100000000000001 109.503 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.411 HD11 ' HB2' ' C' ' 341' ' ' PHE . 42.1 mt -123.71 117.92 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 1.1299999999999999 109.693 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.48 151.08 39.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.374 -0.828 . . . . 2.8199999999999998 109.531 179.856 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.38 133.24 7.26 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.825 -1.31 . . . . 0.45000000000000001 109.825 179.723 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.526 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.5 ttp180 -75.94 -60.03 2.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -1.103 . . . . 3.0800000000000001 109.511 179.856 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.09 -40.68 86.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 2.54 109.655 -179.988 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.35 -47.94 83.91 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.247 -0.908 . . . . 4.1100000000000003 109.465 -179.89 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.0 t80 -55.46 -47.83 75.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.56999999999999995 109.601 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.39 -37.04 46.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.85 . . . . 1.6599999999999999 109.996 -179.762 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.67 -46.78 86.58 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.17 -0.956 . . . . 1.29 110.014 -179.38 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' HB2' HD11 ' C' ' 332' ' ' ILE . 27.4 m-85 -61.35 -51.8 67.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.205 -0.934 . . . . 0.40000000000000002 109.378 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.63 -38.54 46.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.437 -0.789 . . . . 3.8500000000000001 109.742 179.951 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.8 -49.83 76.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 1.78 109.677 -179.728 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.49 -33.57 74.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.977 . . . . 1.1699999999999999 108.93 179.827 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.21 -53.7 55.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.404 -0.81 . . . . 1.2 109.738 179.678 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -34.24 76.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.465 -0.772 . . . . 2.1200000000000001 109.873 -179.539 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.89 79.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 1.0700000000000001 110.063 -179.612 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 51.3 mt -61.48 -43.25 99.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.903 . . . . 1.1399999999999999 109.785 -179.594 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.82 -37.67 79.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 2.0899999999999999 109.81 -179.814 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.0 tp -64.16 -44.98 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 1.3799999999999999 109.725 -179.737 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 13.6 ttmm -61.8 -40.48 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.385 -0.822 . . . . 2.6800000000000002 109.241 179.978 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.29 -33.25 65.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.393 -0.817 . . . . 1.3400000000000001 109.68 179.809 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 1.3 109.477 -179.907 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.25 -2.2 47.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.368 -0.832 . . . . 1.8 109.697 -179.972 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 1.47 109.63 -179.932 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.82 95.03 0.08 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.751 -1.34 . . . . 1.6599999999999999 109.751 -179.906 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -87.11 111.47 20.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -1.131 . . . . 4.7800000000000002 109.411 179.863 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.79 147.71 8.22 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 6.1900000000000004 109.542 -179.957 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.99 145.74 96.59 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.174 1.916 . . . . 6.1799999999999997 110.193 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.908 -1.496 . . . . 6.9000000000000004 109.54 179.982 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.259 0.552 . . . . 7.6900000000000004 109.521 . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.28 116.14 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.243 -0.91 . . . . 7.4500000000000002 109.675 179.801 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.22 107.25 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.268 -0.895 . . . . 6.8399999999999999 109.632 179.78 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.72 -82.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 121.91 1.74 . . . . 5.1200000000000001 110.196 179.998 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 33.6 mt -82.61 108.03 15.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 4.6600000000000001 109.333 179.66 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.86 161.48 25.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.253 -0.904 . . . . 2.46 109.557 -179.903 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.449 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.68 159.13 50.91 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.43 -1.468 . . . . 1.0800000000000001 109.43 -179.947 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.85 129.04 40.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -1.184 . . . . 1.6699999999999999 109.525 -179.833 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 18.2 m-85 -93.8 156.63 16.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 1.01 109.423 179.916 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.53 -172.8 3.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.897 . . . . 0.63 109.346 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 2.5 p -153.29 160.97 42.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 1.1299999999999999 109.428 -179.75 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.9 tp -147.8 126.75 12.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 1.1000000000000001 109.533 -179.871 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.78 126.85 34.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.3700000000000001 109.395 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' D' ' 341' ' ' PHE . 42.9 mt -123.75 117.77 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.133 -0.979 . . . . 1.1499999999999999 109.684 179.935 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.36 151.05 39.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.42 -0.8 . . . . 2.77 109.547 179.805 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.45 133.27 7.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.772 -1.331 . . . . 0.42999999999999999 109.772 179.695 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.7 ttp180 -75.94 -60.11 2.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -1.15 . . . . 3.1200000000000001 109.479 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.07 -40.73 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 2.2200000000000002 109.602 -179.925 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.31 -48.04 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.283 -0.885 . . . . 3.5 109.456 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.31 -47.91 74.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -0.828 . . . . 0.5 109.634 179.97 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.34 -37.09 46.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.858 . . . . 1.6899999999999999 110.04 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.49 -47.03 85.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.14 -0.975 . . . . 1.1399999999999999 109.997 -179.467 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD11 ' D' ' 332' ' ' ILE . 27.4 m-85 -61.25 -51.9 67.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.32000000000000001 109.333 -179.956 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.5 -38.63 45.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.523 -0.736 . . . . 2.96 109.757 179.94 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.77 -49.78 76.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.75 109.723 -179.692 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.39 -33.61 73.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 108.976 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -59.35 -53.6 56.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.391 -0.818 . . . . 1.22 109.712 179.793 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.455 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 0.9 OUTLIER -62.53 -34.39 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.835 . . . . 1.73 109.942 -179.612 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.9 79.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 110.056 -179.593 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.477 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 50.5 mt -61.45 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 1.1100000000000001 109.785 -179.604 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.82 -37.66 79.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 1.9099999999999999 109.82 -179.85 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.17 -44.98 90.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 1.1699999999999999 109.76 -179.759 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' D' ' 351' ' ' LYS . 13.6 ttmm -61.86 -40.42 95.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 2.1499999999999999 109.214 179.987 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.26 -33.28 65.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.521 -0.737 . . . . 1.4399999999999999 109.694 179.777 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.85 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 1.3 109.512 -179.952 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.25 -2.15 47.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.3999999999999999 109.748 -179.949 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -81.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 1.6000000000000001 109.615 -179.975 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.85 95.16 0.08 OUTLIER Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.686 -1.366 . . . . 1.5 109.686 -179.858 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -87.24 111.47 21.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -1.165 . . . . 4.5499999999999998 109.392 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.83 147.69 8.33 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 5.6699999999999999 109.49 -179.875 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.9 145.76 96.78 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.131 1.887 . . . . 6.1200000000000001 110.297 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 117.99 -1.45 . . . . 7.2699999999999996 109.606 -179.97 . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.453 -0.573 . . . . 7.6600000000000001 109.453 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.569 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 0.1 OUTLIER 56.74 109.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 7.5099999999999998 109.095 -179.738 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.99 75.67 0.64 Allowed Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.047 -1.033 . . . . 6.8099999999999996 109.323 -179.556 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.25 -80.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.056 1.837 . . . . 5.1500000000000004 110.157 -179.674 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.18 115.64 21.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 4.7000000000000002 109.514 179.778 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.17 -118.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 2.48 109.117 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.16 156.71 52.85 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.215 -1.554 . . . . 1.0800000000000001 109.215 179.837 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.86 140.77 51.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -1.155 . . . . 1.7 109.421 -179.679 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.02 152.91 19.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.04 109.488 -179.893 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.4 m-85 -137.69 -168.44 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.918 . . . . 0.65000000000000002 109.493 -179.964 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.5 p -153.36 158.94 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.939 . . . . 1.1399999999999999 109.464 -179.919 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.1 tp -148.06 131.43 16.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 1.0900000000000001 109.389 -179.752 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 22.9 tt0 -86.26 131.24 34.27 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.178 -0.951 . . . . 1.3700000000000001 109.504 -179.943 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.55 HG22 ' CD2' ' A' ' 341' ' ' PHE . 35.5 mt -123.76 118.76 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.129 -0.982 . . . . 1.1499999999999999 109.342 179.728 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.94 147.94 44.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.92 . . . . 2.79 109.467 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.55 138.27 9.58 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.67 -1.372 . . . . 0.45000000000000001 109.67 179.956 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.7 ttt180 -82.83 -59.22 2.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 3.1600000000000001 109.61 179.907 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.4 82.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.481 179.894 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 6.9 tpp180 -62.31 -44.59 96.16 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.356 -0.84 . . . . 3.54 109.243 179.82 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' C' ' 329' ' ' THR . 64.9 t80 -55.27 -48.69 73.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.327 -0.858 . . . . 0.5 109.502 -179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.55 -38.1 52.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.6599999999999999 109.97 -179.593 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.64 87.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 110.063 -179.173 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.55 ' CD2' HG22 ' A' ' 332' ' ' ILE . 20.4 m-85 -60.86 -48.17 83.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 0.34000000000000002 109.278 179.885 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.88 -43.38 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.434 -0.791 . . . . 2.9399999999999999 109.662 179.879 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.28 -40.74 91.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.9 . . . . 1.74 110.044 -179.467 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 38.2 mt -62.99 -45.56 91.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 109.542 -179.758 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -58.31 -46.38 86.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.276 -0.89 . . . . 1.22 109.838 -179.853 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -37.21 84.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.72 109.876 -179.673 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.29 -49.72 76.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 110.006 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.484 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 56.4 mt -61.08 -44.12 97.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 1.0800000000000001 109.751 -179.571 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.02 -37.43 76.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 1.9099999999999999 109.642 -179.971 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.65 -40.44 95.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.315 -0.866 . . . . 1.1499999999999999 109.651 -179.916 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -46.99 85.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.374 -0.829 . . . . 2.1400000000000001 109.448 -179.897 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.45 -32.83 65.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.489 -0.757 . . . . 1.4299999999999999 110.029 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.11 84.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 1.3 109.708 -179.526 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.405 ' NE2' ' CD1' ' B' ' 350' ' ' LEU . 0.4 OUTLIER -82.27 -3.97 56.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 1.4199999999999999 109.847 -179.809 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.52 62.04 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.089 -1.007 . . . . 1.5800000000000001 109.548 -179.87 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.73 4.84 85.26 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.694 -1.362 . . . . 1.54 109.694 179.746 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -85.61 -106.62 0.05 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.065 -1.256 . . . . 4.5499999999999998 109.634 -179.489 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -51.89 -57.74 13.77 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 5.71 109.879 -179.735 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 4.2 Cg_exo -59.31 130.46 36.07 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 121.773 1.649 . . . . 6.0899999999999999 110.362 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.438 -1.465 . . . . 7.2400000000000002 109.438 -179.951 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.468 -0.567 . . . . 7.6699999999999999 109.468 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.567 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.1 OUTLIER 56.92 108.99 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.834 . . . . 7.46 109.104 -179.773 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.08 75.73 0.63 Allowed Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 120.997 -1.064 . . . . 6.79 109.196 -179.594 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.14 -81.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.176 1.917 . . . . 5.1500000000000004 110.083 -179.732 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.18 115.66 21.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 4.6600000000000001 109.475 179.878 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.3 -118.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.103 -0.998 . . . . 2.4700000000000002 109.093 179.934 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.52 156.74 52.28 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.293 -1.523 . . . . 1.0600000000000001 109.293 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.78 140.72 50.98 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.168 -1.195 . . . . 1.6100000000000001 109.488 -179.917 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -93.1 153.02 18.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.96999999999999997 109.506 -179.902 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -137.7 -168.38 2.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.59999999999999998 109.484 -179.968 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.3 p -153.44 158.9 42.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.263 -0.898 . . . . 1.1000000000000001 109.459 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.0 tp -147.97 131.54 16.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 1.1000000000000001 109.351 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 22.9 tt0 -86.35 131.17 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 109.517 -179.989 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.544 HG22 ' CD2' ' B' ' 341' ' ' PHE . 36.8 mt -123.77 118.88 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 1.1699999999999999 109.269 179.737 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.98 147.94 44.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.253 -0.904 . . . . 2.79 109.484 179.9 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.57 138.14 9.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.621 -1.392 . . . . 0.47999999999999998 109.621 179.988 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.8 ttt180 -82.77 -59.18 2.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.188 -1.184 . . . . 3.2200000000000002 109.525 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.27 -39.16 82.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.374 -0.829 . . . . 2.21 109.435 179.989 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.459 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 6.8 tpp180 -62.51 -44.49 96.24 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.376 -0.828 . . . . 3.5499999999999998 109.19 179.835 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.459 ' CE1' ' O ' ' D' ' 329' ' ' THR . 64.7 t80 -55.29 -48.77 73.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 0.52000000000000002 109.473 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.14 52.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.828 . . . . 1.6799999999999999 110.045 -179.648 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.66 87.56 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.212 -0.93 . . . . 1.1499999999999999 110.092 -179.207 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.544 ' CD2' HG22 ' B' ' 332' ' ' ILE . 20.2 m-85 -60.87 -48.17 83.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.33000000000000002 109.245 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.86 -43.32 59.39 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.411 -0.806 . . . . 3.02 109.736 179.874 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.35 -40.83 92.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 1.75 109.964 -179.477 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.93 -45.5 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 1.0700000000000001 109.601 -179.765 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.38 -46.53 86.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.274 -0.891 . . . . 1.21 109.729 -179.878 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.19 84.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 1.6899999999999999 109.876 -179.624 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.61 76.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 1.0600000000000001 110.002 -179.646 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.3 mt -61.05 -44.21 97.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 1.0800000000000001 109.78 -179.608 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -59.03 -37.33 76.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.88 . . . . 1.9299999999999999 109.609 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.405 ' CD1' ' NE2' ' A' ' 354' ' ' GLN . 11.7 tp -64.72 -40.45 95.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.233 -0.917 . . . . 1.1399999999999999 109.577 -179.875 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -46.93 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.414 -0.803 . . . . 2.1899999999999999 109.439 -179.905 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.53 -32.78 65.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.488 -0.757 . . . . 1.4299999999999999 110.045 -179.784 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.23 84.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 1.3100000000000001 109.699 -179.629 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 -3.97 56.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.3999999999999999 109.887 -179.778 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.87 -13.62 62.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.033 -1.042 . . . . 1.5700000000000001 109.481 -179.935 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 4.83 85.26 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.708 -1.357 . . . . 1.53 109.708 179.814 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.54 -106.55 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.191 -1.182 . . . . 4.5800000000000001 109.77 -179.616 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -51.98 -57.67 14.1 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.918 -1.114 . . . . 5.6799999999999997 109.85 -179.764 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 4.1 Cg_exo -59.38 130.47 35.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 121.804 1.67 . . . . 6.0499999999999998 110.316 -179.771 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 CA-C-O 117.872 -1.515 . . . . 7.2000000000000002 109.672 -179.93 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.422 -0.584 . . . . 9.2200000000000006 109.422 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.561 ' O ' ' CG ' ' C' ' 320' ' ' LYS . 0.1 OUTLIER 56.93 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 8.5099999999999998 109.118 -179.751 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.02 75.67 0.64 Allowed Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.975 -1.078 . . . . 7.4199999999999999 109.308 -179.508 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.12 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.05 1.834 . . . . 5.0499999999999998 110.168 -179.767 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.9 mt -82.17 115.71 21.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.273 -0.892 . . . . 5.1399999999999997 109.487 179.855 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.29 -118.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.915 . . . . 2.8500000000000001 109.125 179.891 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.86 156.87 52.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.274 -1.53 . . . . 1.27 109.274 179.797 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.89 140.83 51.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -1.137 . . . . 2.1099999999999999 109.426 -179.801 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.16 152.92 18.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 1.01 109.45 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -137.73 -168.48 2.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.278 -0.889 . . . . 0.57999999999999996 109.433 -179.923 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.457 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.5 p -153.28 158.98 42.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 1.1599999999999999 109.427 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.1 tp -148.04 131.34 16.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 1.1699999999999999 109.359 -179.763 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 22.9 tt0 -86.24 131.19 34.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 1.8100000000000001 109.537 179.976 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' C' ' 341' ' ' PHE . 35.2 mt -123.63 118.73 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 1.1299999999999999 109.342 179.759 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.93 147.94 44.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.325 -0.86 . . . . 2.8199999999999998 109.459 179.995 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.54 138.22 9.56 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.615 -1.394 . . . . 0.45000000000000001 109.615 179.907 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.575 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.8 ttt180 -82.82 -59.16 2.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -1.133 . . . . 3.0800000000000001 109.62 179.951 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.11 -39.51 82.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.372 -0.83 . . . . 2.54 109.407 179.925 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 6.9 tpp180 -62.2 -44.58 96.25 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.335 -0.853 . . . . 4.1100000000000003 109.267 179.823 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.9 t80 -55.37 -48.63 73.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.311 -0.868 . . . . 0.56999999999999995 109.517 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.61 -38.11 53.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.333 -0.854 . . . . 1.6599999999999999 109.903 -179.59 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.4 -46.68 87.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.23 -0.919 . . . . 1.29 110.074 -179.183 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.548 ' CD2' HG22 ' C' ' 332' ' ' ILE . 20.2 m-85 -60.81 -48.23 82.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.12 -0.988 . . . . 0.40000000000000002 109.296 179.888 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.91 -43.19 59.87 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.49 -0.756 . . . . 3.8500000000000001 109.757 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.47 -40.74 92.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 1.78 109.971 -179.527 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.94 -45.57 91.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.039 -1.038 . . . . 1.1699999999999999 109.576 -179.758 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.25 -46.52 85.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.2 109.833 -179.92 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.01 -37.27 84.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.269 -0.895 . . . . 2.1200000000000001 109.866 -179.641 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.33 -49.7 76.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.871 . . . . 1.0700000000000001 109.925 -179.564 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 56.5 mt -61.08 -44.17 97.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 1.1399999999999999 109.689 -179.516 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -59.0 -37.45 76.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 2.0899999999999999 109.636 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.61 -40.53 95.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 1.3799999999999999 109.59 -179.885 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -46.85 86.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.6800000000000002 109.485 -179.931 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.604 -0.685 . . . . 1.3400000000000001 110.087 -179.785 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.07 83.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.895 . . . . 1.3 109.742 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -4.06 56.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 1.8 109.875 -179.884 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.88 -13.58 62.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.039 -1.038 . . . . 1.47 109.503 -179.843 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 4.85 85.25 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.739 -1.344 . . . . 1.6599999999999999 109.739 179.779 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.5 -106.66 0.05 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.044 -1.268 . . . . 4.7800000000000002 109.754 -179.595 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.546 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -51.91 -57.67 14.06 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.876 -1.14 . . . . 6.1900000000000004 109.967 -179.885 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.546 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 4.1 Cg_exo -59.27 130.46 36.13 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 121.875 1.716 . . . . 6.1799999999999997 110.297 -179.866 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 118.023 -1.432 . . . . 6.9000000000000004 109.577 179.984 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' D' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.47 -0.567 . . . . 7.6900000000000004 109.47 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.569 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.1 OUTLIER 56.87 109.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 7.4500000000000002 109.046 -179.711 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.97 75.68 0.64 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.952 -1.093 . . . . 6.8399999999999999 109.345 -179.524 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.24 -81.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.071 1.847 . . . . 5.1200000000000001 110.099 -179.708 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.7 mt -82.21 115.64 21.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 4.6600000000000001 109.435 179.86 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.28 -118.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 2.46 109.101 179.9 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 156.78 52.64 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.254 -1.539 . . . . 1.0800000000000001 109.254 179.864 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.85 140.8 51.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -1.17 . . . . 1.6699999999999999 109.472 -179.801 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -93.05 152.92 19.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.87 . . . . 1.01 109.5 -179.96 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.7 m-85 -137.63 -168.37 2.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 0.63 109.458 -179.95 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -153.45 158.76 41.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 1.1299999999999999 109.454 -179.851 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -147.88 131.6 16.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 1.1000000000000001 109.406 -179.775 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 22.9 tt0 -86.46 131.24 34.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 1.3700000000000001 109.432 -179.974 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.544 HG22 ' CD2' ' D' ' 341' ' ' PHE . 36.2 mt -123.83 118.82 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -0.912 . . . . 1.1499999999999999 109.256 179.77 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 147.84 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.907 . . . . 2.77 109.445 179.97 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.61 138.14 9.53 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.674 -1.37 . . . . 0.42999999999999999 109.674 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.8 ttt180 -82.8 -59.19 2.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -1.148 . . . . 3.1200000000000001 109.529 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.34 81.88 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.382 -0.824 . . . . 2.2200000000000002 109.478 179.905 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -44.52 96.2 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.454 -0.778 . . . . 3.5 109.216 179.842 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.35 -48.74 73.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.5 109.456 -179.986 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.16 52.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 1.6899999999999999 109.94 -179.594 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.56 -46.52 87.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.205 -0.934 . . . . 1.1399999999999999 110.066 -179.159 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.544 ' CD2' HG22 ' D' ' 332' ' ' ILE . 20.0 m-85 -60.93 -48.18 83.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.135 -0.978 . . . . 0.32000000000000001 109.21 179.85 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.9 -43.41 59.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.543 -0.723 . . . . 2.96 109.62 179.922 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.23 -40.85 91.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 1.75 109.97 -179.464 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 38.4 mt -62.95 -45.58 91.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 1.0800000000000001 109.574 -179.755 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -58.26 -46.56 85.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 1.22 109.756 -179.849 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -37.2 83.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 1.73 109.861 -179.586 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.31 -49.77 76.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 1.0700000000000001 109.925 -179.628 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.459 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 57.3 mt -61.12 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 1.1100000000000001 109.68 -179.533 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.11 -37.39 77.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.9099999999999999 109.556 -179.879 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.69 -40.44 95.39 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.287 -0.883 . . . . 1.1699999999999999 109.62 -179.803 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.83 -46.84 86.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 2.1499999999999999 109.44 -179.934 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.65 -32.8 65.72 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.56 -0.713 . . . . 1.4399999999999999 109.934 -179.678 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.21 84.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 1.3 109.759 -179.608 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -3.96 56.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.3999999999999999 109.893 -179.852 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.91 -13.63 62.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 1.6000000000000001 109.497 -179.857 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 4.79 85.23 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.842 -1.303 . . . . 1.5 109.842 179.713 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.54 -106.67 0.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.15 -1.206 . . . . 4.5499999999999998 109.706 -179.538 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.544 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -51.93 -57.63 14.19 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.868 -1.145 . . . . 5.6699999999999999 109.974 -179.849 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 4.3 Cg_exo -59.4 130.53 36.2 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.804 1.67 . . . . 6.1200000000000001 110.263 -179.799 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 117.917 -1.491 . . . . 7.2699999999999996 109.6 179.981 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.523 -0.547 . . . . 7.6600000000000001 109.523 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 18.1 mttt 58.53 -103.58 0.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 7.5099999999999998 109.544 -179.928 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.35 80.35 0.3 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 120.933 -1.105 . . . . 6.8099999999999996 109.415 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.16 84.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.3 2.0 . . . . 5.1500000000000004 110.626 -179.786 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.25 47.59 1.44 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.304 -0.872 . . . . 4.7000000000000002 109.545 179.589 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.402 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 3.9 m-20 -78.74 -159.35 0.17 Allowed 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.385 -0.822 . . . . 2.48 109.791 -179.594 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 173.32 33.03 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.645 -1.382 . . . . 1.0800000000000001 109.645 -179.642 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.95 138.26 57.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -1.146 . . . . 1.7 109.543 -179.927 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.05 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.914 . . . . 1.04 109.447 179.871 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.66 -171.44 3.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.65000000000000002 109.474 -179.871 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.3 p -152.62 160.95 43.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 1.1399999999999999 109.625 -179.799 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.52 128.57 13.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 1.0900000000000001 109.618 -179.944 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 38.6 tt0 -86.92 126.57 34.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.3700000000000001 109.473 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -123.87 117.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 1.1499999999999999 109.481 179.838 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.75 149.5 41.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 2.79 109.486 179.908 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.56 134.23 7.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.734 -1.346 . . . . 0.45000000000000001 109.734 179.754 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.3 ttp180 -78.69 -57.35 3.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -1.134 . . . . 3.1600000000000001 109.583 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -44.44 91.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 2.2200000000000002 109.543 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.88 -46.14 91.8 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.358 -0.839 . . . . 3.54 109.639 -179.742 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.2 t80 -54.93 -54.92 36.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.5 109.692 -179.837 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -50.29 -36.38 31.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.89 . . . . 1.6599999999999999 109.963 -179.628 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.72 -47.25 84.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.117 -0.989 . . . . 1.1499999999999999 109.954 -179.452 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CZ ' ' HA ' ' C' ' 345' ' ' ASN . 21.9 m-85 -61.32 -53.03 61.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.91 . . . . 0.34000000000000002 109.267 179.942 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.441 ' CG ' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.88 -36.33 37.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 2.9399999999999999 109.56 179.954 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.97 -45.15 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 1.74 109.898 -179.837 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.83 -43.68 98.37 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.299 -0.876 . . . . 1.0700000000000001 109.569 -179.775 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.456 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 47.5 t30 -57.88 -44.43 86.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.879 . . . . 1.22 109.569 179.86 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.25 91.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.365 -0.835 . . . . 1.72 109.663 -179.825 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.36 88.43 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 1.0700000000000001 109.934 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 19.5 mt -61.5 -45.15 95.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 1.0800000000000001 109.777 -179.765 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.56 -36.76 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.9099999999999999 109.737 -179.904 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 19.6 tp -63.69 -43.1 97.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 1.1499999999999999 109.497 -179.91 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.8 -50.09 73.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 2.1400000000000001 108.743 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.9 -28.36 64.14 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.647 -0.658 . . . . 1.4299999999999999 109.483 179.533 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.66 85.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.458 -0.776 . . . . 1.3 109.789 -179.463 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.424 ' NE2' HD12 ' B' ' 350' ' ' LEU . 15.4 mt-30 -83.08 -14.56 53.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.4199999999999999 109.513 -179.999 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -46.5 45.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.302 -0.874 . . . . 1.5800000000000001 109.622 179.864 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.58 12.01 53.72 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.063 -1.215 . . . . 1.54 110.063 -179.484 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.82 117.83 24.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -1.193 . . . . 4.5499999999999998 109.401 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 359' ' ' PRO . 15.1 mt-10 -50.09 165.72 0.31 Allowed Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 5.71 109.688 -179.767 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 358' ' ' GLU . 2.9 Cg_endo -60.94 146.07 98.19 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.17 1.913 . . . . 6.0899999999999999 110.374 179.975 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 118.008 -1.44 . . . . 7.2400000000000002 109.538 179.957 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.6699999999999999 109.434 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 18.1 mttt 58.45 -103.66 0.18 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 7.46 109.543 179.999 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.55 80.2 0.31 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 120.936 -1.103 . . . . 6.79 109.436 179.978 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.06 84.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.379 2.052 . . . . 5.1500000000000004 110.711 -179.816 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.15 47.63 1.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.893 . . . . 4.6600000000000001 109.575 179.646 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.86 -159.49 0.18 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.473 -0.767 . . . . 2.4700000000000002 109.821 -179.558 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.96 173.33 31.55 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.703 -1.359 . . . . 1.0600000000000001 109.703 -179.745 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 138.35 57.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -1.119 . . . . 1.6100000000000001 109.547 -179.974 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.06 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.182 -0.949 . . . . 0.96999999999999997 109.499 179.89 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 82.4 m-85 -139.67 -171.49 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.59999999999999998 109.571 -179.894 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.0 p -152.58 161.04 43.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.137 -0.977 . . . . 1.1000000000000001 109.564 -179.787 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.4 tp -148.63 128.55 13.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.1000000000000001 109.468 -179.833 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 38.7 tt0 -86.93 126.52 34.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 1.3600000000000001 109.521 179.954 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.89 117.58 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.465 179.888 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.2 OUTLIER -73.72 149.45 41.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.194 -0.941 . . . . 2.79 109.575 179.889 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.33 7.74 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.773 -1.331 . . . . 0.47999999999999998 109.773 179.831 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.3 ttp180 -78.76 -57.38 3.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -1.11 . . . . 3.2200000000000002 109.634 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.76 -44.37 90.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.359 -0.838 . . . . 2.21 109.653 179.987 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.529 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.94 -46.11 92.0 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.295 -0.878 . . . . 3.5499999999999998 109.647 -179.736 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.7 t80 -55.12 -54.81 38.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.46 -0.775 . . . . 0.52000000000000002 109.646 -179.779 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -50.31 -36.35 31.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.386 -0.821 . . . . 1.6799999999999999 109.922 -179.6 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.75 -47.31 84.11 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.17 -0.956 . . . . 1.1499999999999999 109.883 -179.436 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.32 -53.14 60.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.139 -0.976 . . . . 0.33000000000000002 109.22 -179.993 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.462 ' CG ' ' NH1' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.67 -36.49 35.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.306 -0.871 . . . . 3.02 109.574 179.836 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.85 -45.25 95.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.771 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.81 -43.75 98.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 1.0700000000000001 109.442 -179.718 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -57.8 -44.49 86.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.288 -0.882 . . . . 1.21 109.584 179.865 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -39.04 91.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.41 -0.806 . . . . 1.6899999999999999 109.662 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.33 88.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.0600000000000001 109.959 -179.786 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 19.6 mt -61.53 -45.02 95.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.319 -0.863 . . . . 1.0800000000000001 109.725 -179.732 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.79 -36.65 77.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 109.672 -179.809 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.495 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 19.8 tp -63.7 -43.19 97.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 1.1399999999999999 109.468 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.7 -50.08 73.88 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.279 -0.888 . . . . 2.1899999999999999 108.854 179.629 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.91 -28.37 64.18 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.594 -0.691 . . . . 1.4299999999999999 109.384 179.52 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.65 85.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 1.3100000000000001 109.832 -179.418 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.06 -14.54 53.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 1.3999999999999999 109.443 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -46.53 45.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 1.5700000000000001 109.688 179.842 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.59 12.12 53.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.071 -1.212 . . . . 1.53 110.071 -179.591 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.78 117.82 24.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.191 -1.182 . . . . 4.5800000000000001 109.346 179.919 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.422 ' HB3' ' HD2' ' B' ' 359' ' ' PRO . 15.2 mt-10 -50.06 165.74 0.31 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.887 . . . . 5.6799999999999997 109.617 -179.855 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -60.98 146.12 98.18 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.304 2.003 . . . . 6.0499999999999998 110.296 179.924 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 CA-C-O 117.991 -1.449 . . . . 7.2000000000000002 109.479 179.902 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.454 -0.572 . . . . 9.2200000000000006 109.454 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 58.5 -103.67 0.18 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.31 -0.869 . . . . 8.5099999999999998 109.523 -179.971 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.5 80.2 0.31 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.867 -1.145 . . . . 7.4199999999999999 109.417 179.954 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.02 84.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.343 2.028 . . . . 5.0499999999999998 110.616 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.28 47.65 1.45 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 5.1399999999999997 109.552 179.622 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.79 -159.58 0.18 Allowed 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.389 -0.82 . . . . 2.8500000000000001 109.765 -179.55 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.08 173.24 32.14 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.705 -1.358 . . . . 1.27 109.705 -179.761 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.05 138.36 57.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.332 -1.099 . . . . 2.1099999999999999 109.61 -179.949 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.14 159.19 15.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.884 . . . . 1.01 109.473 179.938 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 82.3 m-85 -139.64 -171.47 3.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.57999999999999996 109.506 -179.877 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.1 p -152.64 160.96 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.181 -0.949 . . . . 1.1599999999999999 109.566 -179.808 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -148.5 128.58 13.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.187 -0.946 . . . . 1.1699999999999999 109.514 -179.827 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 38.7 tt0 -86.96 126.58 34.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.314 -0.866 . . . . 1.8100000000000001 109.47 179.959 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 49.2 mt -123.89 117.56 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 1.1299999999999999 109.558 179.784 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.402 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.2 OUTLIER -73.67 149.46 41.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 2.8199999999999998 109.524 179.913 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.27 7.72 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.765 -1.334 . . . . 0.45000000000000001 109.765 179.813 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.3 ttp180 -78.71 -57.36 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.224 -1.162 . . . . 3.0800000000000001 109.674 179.929 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.8 -44.43 90.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 2.54 109.55 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.96 -46.08 92.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.265 -0.897 . . . . 4.1100000000000003 109.634 -179.65 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.06 -54.76 38.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.56999999999999995 109.783 -179.905 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -50.34 -36.33 31.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 1.6599999999999999 109.996 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.81 -47.2 84.46 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.139 -0.975 . . . . 1.29 109.942 -179.459 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 345' ' ' ASN . 22.0 m-85 -61.26 -53.17 60.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.40000000000000002 109.232 179.916 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.459 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.76 -36.45 36.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.398 -0.814 . . . . 3.8500000000000001 109.659 179.902 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.19 95.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.78 109.886 -179.801 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 27.1 mt -61.81 -43.69 98.35 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 1.1699999999999999 109.525 -179.82 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 341' ' ' PHE . 47.6 t30 -57.98 -44.29 87.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 1.2 109.545 179.903 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -39.1 91.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.217 -0.927 . . . . 2.1200000000000001 109.735 -179.915 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.37 88.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 1.0700000000000001 109.905 -179.748 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 19.6 mt -61.55 -44.99 96.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.189 -0.944 . . . . 1.1399999999999999 109.754 -179.682 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.68 -36.73 77.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 2.0899999999999999 109.753 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 19.5 tp -63.65 -43.34 97.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.947 . . . . 1.3799999999999999 109.425 -179.914 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.64 -50.08 73.96 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.352 -0.842 . . . . 2.6800000000000002 108.867 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.88 -28.28 64.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.502 0.667 . . . . 1.3400000000000001 109.533 179.48 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 1.3 109.838 -179.515 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -82.98 -14.67 53.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.067 -1.021 . . . . 1.8 109.462 179.951 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.66 -46.55 45.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 1.47 109.612 179.909 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.61 12.02 53.79 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.977 -1.249 . . . . 1.6599999999999999 109.977 -179.467 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -85.89 117.95 25.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -1.191 . . . . 4.7800000000000002 109.353 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 15.3 mt-10 -50.15 165.76 0.31 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 6.1900000000000004 109.605 -179.785 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 3.0 Cg_endo -61.02 146.15 98.13 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.187 1.925 . . . . 6.1799999999999997 110.229 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 118.008 -1.44 . . . . 6.9000000000000004 109.609 179.986 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.471 -0.566 . . . . 7.6900000000000004 109.471 . . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 58.56 -103.68 0.18 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.269 -0.894 . . . . 7.4500000000000002 109.495 -179.966 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.49 80.23 0.31 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 6.8399999999999999 109.395 179.956 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.06 84.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.321 2.014 . . . . 5.1200000000000001 110.64 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.36 47.8 1.48 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.458 -0.776 . . . . 4.6600000000000001 109.505 179.631 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . 0.404 ' HB3' ' HD2' ' B' ' 333' ' ' ARG . 3.9 m-20 -78.88 -159.42 0.18 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.477 -0.765 . . . . 2.46 109.716 -179.603 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.18 173.2 32.59 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.759 -1.336 . . . . 1.0800000000000001 109.759 -179.747 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.95 138.37 57.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -1.136 . . . . 1.6699999999999999 109.522 -179.914 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 7.3 m-85 -94.18 159.14 15.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 1.01 109.421 179.936 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 82.3 m-85 -139.69 -171.5 3.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.63 109.571 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.0 p -152.62 160.9 43.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 1.1299999999999999 109.562 -179.744 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.3 tp -148.5 128.73 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.338 -0.851 . . . . 1.1000000000000001 109.429 -179.841 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 38.8 tt0 -87.01 126.56 34.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.181 -0.949 . . . . 1.3700000000000001 109.471 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.5 mt -123.93 117.46 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.125 -0.985 . . . . 1.1499999999999999 109.476 179.902 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.61 149.43 42.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 2.77 109.512 179.912 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.47 134.19 7.67 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.72 -1.352 . . . . 0.42999999999999999 109.72 179.75 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.3 ttp180 -78.6 -57.32 3.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -1.112 . . . . 3.1200000000000001 109.65 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.82 -44.25 90.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 2.2200000000000002 109.666 -179.926 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.525 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -61.07 -46.03 92.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 3.5 109.705 -179.799 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.1 t80 -55.06 -54.89 37.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.801 . . . . 0.5 109.669 -179.924 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -50.32 -36.28 31.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.6899999999999999 109.965 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.78 -47.38 83.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.007 -1.058 . . . . 1.1399999999999999 109.824 -179.451 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -61.22 -53.19 59.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.32000000000000001 109.202 -179.988 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.73 -36.4 36.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 2.96 109.575 179.964 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.27 95.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 1.75 109.821 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 27.4 mt -61.84 -43.65 98.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.478 -179.711 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.93 -44.45 86.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 1.22 109.525 179.92 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -39.18 91.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 1.73 109.762 -179.884 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.37 88.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 1.0700000000000001 109.902 -179.715 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.529 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 19.6 mt -61.47 -45.08 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 1.1100000000000001 109.768 -179.707 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.66 -36.72 76.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 1.9099999999999999 109.749 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.439 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 19.6 tp -63.65 -43.24 97.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 109.448 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.74 -50.01 74.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 2.1499999999999999 108.87 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.98 -28.19 64.16 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 1.4399999999999999 109.55 179.457 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.7 85.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 1.3 109.86 -179.567 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.05 -14.6 53.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.971 . . . . 1.3999999999999999 109.46 179.999 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.65 45.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.6000000000000001 109.674 179.855 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.97 53.65 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.126 -1.19 . . . . 1.5 110.126 -179.54 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.8 117.88 24.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.113 -1.227 . . . . 4.5499999999999998 109.413 179.937 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 15.3 mt-10 -50.01 165.67 0.31 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.216 -0.928 . . . . 5.6699999999999999 109.571 -179.814 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 3.0 Cg_endo -60.99 146.12 98.2 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.262 1.975 . . . . 6.1200000000000001 110.291 179.966 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.076 -1.402 . . . . 7.2699999999999996 109.63 179.986 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.315 0.578 . . . . 7.6600000000000001 109.547 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 11.9 tttt 61.37 -143.98 0.46 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.057 -1.027 . . . . 7.5099999999999998 109.171 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.717 ' CB ' ' CD ' ' A' ' 322' ' ' PRO . 26.9 mmtt 43.27 -97.91 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.596 0 CA-C-O 117.638 -1.173 . . . . 6.8099999999999996 110.303 179.922 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.717 ' CD ' ' CB ' ' A' ' 321' ' ' LYS . 1.3 Cg_endo -62.09 84.82 0.1 OUTLIER 'Trans proline' 0 N--CA 1.484 0.926 0 CA-C-N 121.001 1.393 . . . . 5.1500000000000004 110.789 179.751 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 320' ' ' LYS . 8.4 mt -86.64 -0.37 56.1 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.073 -1.017 . . . . 4.7000000000000002 109.563 179.286 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.57 -14.91 51.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.096 -1.003 . . . . 2.48 110.051 -179.439 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . 0.519 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -72.48 120.18 7.48 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 119.614 -1.279 . . . . 1.0800000000000001 109.922 179.874 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.16 123.12 17.82 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.601 -0.941 . . . . 1.7 109.132 179.288 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 79.0 m-85 -95.97 149.03 22.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.123 -0.986 . . . . 1.04 109.994 -179.81 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.7 m-85 -137.8 -168.89 2.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.398 -0.814 . . . . 0.65000000000000002 109.361 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 65.3 p -154.18 158.98 41.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.213 -0.929 . . . . 1.1399999999999999 109.621 -179.937 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 9.6 tp -147.1 128.97 15.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.206 -0.934 . . . . 1.0900000000000001 109.515 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.38 129.77 34.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.283 -0.885 . . . . 1.3700000000000001 109.634 -179.949 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' A' ' 341' ' ' PHE . 46.0 mt -123.5 120.45 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 1.1499999999999999 109.439 179.677 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.48 41.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.211 -0.93 . . . . 2.79 109.787 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.22 138.91 4.57 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.742 -1.343 . . . . 0.45000000000000001 109.742 179.695 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.482 ' NH1' ' HG2' ' A' ' 335' ' ' ARG . 0.0 OUTLIER -79.2 -45.64 19.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.297 -1.119 . . . . 3.1600000000000001 109.495 179.925 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.77 -46.6 87.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 2.2200000000000002 109.424 179.951 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 6.6 tpp180 -61.29 -44.71 96.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.343 -0.848 . . . . 3.54 109.786 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' C' ' 329' ' ' THR . 24.0 t80 -54.94 -56.27 21.51 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.525 -0.734 . . . . 0.5 109.833 -179.77 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.85 -37.89 60.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.279 -0.888 . . . . 1.6599999999999999 109.978 -179.642 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.7 -46.69 86.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.202 -0.936 . . . . 1.1499999999999999 110.115 -179.328 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.428 ' CD2' HG22 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.36 -51.44 68.79 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.34000000000000002 109.401 -179.847 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 10.5 ttm180 -50.93 -37.74 46.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.391 -0.818 . . . . 2.9399999999999999 109.688 179.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.44 -46.39 90.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 1.74 110.054 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.65 -43.13 99.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.197 -0.94 . . . . 1.0700000000000001 109.651 -179.682 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -58.33 -46.54 86.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.296 -0.878 . . . . 1.22 109.7 -179.965 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.67 -37.23 85.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.72 109.879 -179.683 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.1 83.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 1.0700000000000001 110.058 -179.719 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 51.1 mt -61.56 -44.74 96.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 1.0800000000000001 109.711 -179.675 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.31 -36.44 75.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 1.9099999999999999 109.458 179.97 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.455 HD23 ' NE2' ' B' ' 354' ' ' GLN . 15.7 tp -64.29 -41.34 96.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 1.1499999999999999 109.454 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.512 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 1.1 ttmp? -62.32 -49.48 75.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 2.1400000000000001 109.054 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -56.93 -30.74 64.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.585 -0.697 . . . . 1.4299999999999999 109.718 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.65 84.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.849 . . . . 1.3 109.961 -179.593 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -6.99 59.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.4199999999999999 109.807 -179.728 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.88 -24.24 61.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.16 -0.962 . . . . 1.5800000000000001 109.404 179.962 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -1.05 88.06 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.816 -1.314 . . . . 1.54 109.816 -179.918 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 121.12 28.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.081 -1.246 . . . . 4.5499999999999998 109.697 -179.723 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 163.44 0.56 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 5.71 109.562 179.941 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.92 142.12 92.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.2 1.933 . . . . 6.0899999999999999 110.198 179.905 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 CA-C-O 117.944 -1.476 . . . . 7.2400000000000002 109.561 179.869 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.228 0.537 . . . . 7.6699999999999999 109.573 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' B' ' 322' ' ' PRO . 11.9 tttt 61.27 -144.01 0.46 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.247 -0.908 . . . . 7.46 109.18 -179.866 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.708 ' CB ' ' CD ' ' B' ' 322' ' ' PRO . 27.0 mmtt 43.32 -97.97 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.607 0 CA-C-O 117.683 -1.151 . . . . 6.79 110.353 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' B' ' 321' ' ' LYS . 1.3 Cg_endo -62.05 84.77 0.1 OUTLIER 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.966 1.381 . . . . 5.1500000000000004 110.877 179.763 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 320' ' ' LYS . 8.4 mt -86.68 -0.26 55.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.022 -1.049 . . . . 4.6600000000000001 109.546 179.395 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -83.77 -14.09 52.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 2.4700000000000002 110.065 -179.475 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -73.57 120.41 6.95 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.721 -1.351 . . . . 1.0600000000000001 109.721 -179.945 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.27 123.05 17.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.557 -0.966 . . . . 1.6100000000000001 109.001 179.565 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.515 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 79.4 m-85 -95.93 149.24 21.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -0.966 . . . . 0.96999999999999997 109.901 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.7 m-85 -138.05 -168.97 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.398 -0.814 . . . . 0.59999999999999998 109.294 179.887 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 65.5 p -154.22 158.84 40.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.197 -0.939 . . . . 1.1000000000000001 109.706 -179.789 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.6 tp -147.06 129.04 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 1.1000000000000001 109.488 -179.879 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 37.0 tt0 -87.31 129.85 34.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.848 . . . . 1.3600000000000001 109.68 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' B' ' 341' ' ' PHE . 46.4 mt -123.67 120.6 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 1.1699999999999999 109.358 179.656 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.8 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 2.79 109.717 -179.908 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.89 139.0 4.42 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.832 -1.307 . . . . 0.47999999999999998 109.832 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.502 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -79.29 -45.72 19.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -1.143 . . . . 3.2200000000000002 109.369 179.923 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.7 -46.6 86.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.862 . . . . 2.21 109.498 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 6.6 tpp180 -61.21 -44.76 96.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.325 -0.86 . . . . 3.5499999999999998 109.814 179.975 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 24.0 t80 -54.96 -56.2 22.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.475 -0.766 . . . . 0.52000000000000002 109.843 -179.738 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.94 -37.74 61.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.461 -0.774 . . . . 1.6799999999999999 110.025 -179.662 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.75 -46.57 87.45 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 1.1499999999999999 110.228 -179.419 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' B' ' 332' ' ' ILE . 28.4 m-85 -61.45 -51.48 68.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.33000000000000002 109.273 -179.834 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' D' ' 330' ' ' LEU . 10.5 ttm180 -51.02 -37.73 46.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 3.02 109.655 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.39 -46.32 90.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.75 110.112 -179.58 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.68 -43.14 99.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 109.663 -179.721 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.4 -46.44 86.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.21 109.688 -179.942 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.76 -37.18 85.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 1.6899999999999999 109.892 -179.734 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.1 83.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 1.0600000000000001 109.98 -179.744 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 50.9 mt -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 1.0800000000000001 109.799 -179.729 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.25 -36.46 75.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.386 -0.821 . . . . 1.9299999999999999 109.531 179.886 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.512 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 15.8 tp -64.2 -41.45 97.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.363 -0.836 . . . . 1.1399999999999999 109.475 179.982 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 1.1 ttmp? -62.31 -49.47 75.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.879 . . . . 2.1899999999999999 109.024 179.885 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -56.92 -30.74 64.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.485 -0.759 . . . . 1.4299999999999999 109.644 179.776 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.86 84.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 1.3100000000000001 109.973 -179.652 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.455 ' NE2' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -81.87 -6.87 59.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.213 -0.93 . . . . 1.3999999999999999 109.814 -179.643 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.91 -24.17 61.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.126 -0.984 . . . . 1.5700000000000001 109.49 179.875 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.93 87.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.862 -1.295 . . . . 1.53 109.862 -179.966 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.37 121.06 28.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -1.219 . . . . 4.5800000000000001 109.67 -179.696 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.25 163.34 0.55 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 5.6799999999999997 109.616 179.93 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.92 142.12 92.0 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.207 1.938 . . . . 6.0499999999999998 110.25 179.819 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.573 -1.411 . . . . 7.2000000000000002 109.573 179.94 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.311 0.577 . . . . 9.2200000000000006 109.464 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.535 ' O ' ' HD2' ' C' ' 322' ' ' PRO . 11.8 tttt 61.35 -144.05 0.46 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 8.5099999999999998 109.193 -179.89 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.716 ' CB ' ' CD ' ' C' ' 322' ' ' PRO . 27.0 mmtt 43.28 -97.9 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 CA-C-O 117.637 -1.173 . . . . 7.4199999999999999 110.311 -179.985 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.716 ' CD ' ' CB ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -62.16 84.78 0.1 Allowed 'Trans proline' 0 N--CA 1.483 0.88 0 CA-C-N 121.01 1.396 . . . . 5.0499999999999998 110.771 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 320' ' ' LYS . 8.3 mt -86.67 -0.24 55.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.959 -1.088 . . . . 5.1399999999999997 109.547 179.357 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -83.75 -14.45 51.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.8500000000000001 110.047 -179.46 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . 0.505 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -73.08 120.34 7.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.746 -1.342 . . . . 1.27 109.746 -179.956 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.34 123.24 18.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.614 -0.933 . . . . 2.1099999999999999 109.04 179.475 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.505 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 79.5 m-85 -96.09 149.21 21.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.028 . . . . 1.01 109.858 -179.702 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.9 m-85 -138.01 -168.97 2.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.57999999999999996 109.358 179.854 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.8 p -154.19 158.9 41.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 1.1599999999999999 109.616 -179.819 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tp -147.04 128.93 15.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.379 -0.825 . . . . 1.1699999999999999 109.557 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.3 129.85 34.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.394 -0.816 . . . . 1.8100000000000001 109.722 -179.95 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.428 HG22 ' CD2' ' C' ' 341' ' ' PHE . 46.5 mt -123.65 120.5 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 1.1299999999999999 109.388 179.753 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.28 151.45 41.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -0.937 . . . . 2.8199999999999998 109.759 -179.855 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.27 138.85 4.58 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.795 -1.322 . . . . 0.45000000000000001 109.795 179.686 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.498 ' NH1' ' HG2' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -79.13 -45.78 19.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -1.137 . . . . 3.0800000000000001 109.43 179.94 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.63 -46.69 86.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 2.54 109.473 179.964 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 6.6 tpp180 -61.2 -44.74 96.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.367 -0.833 . . . . 4.1100000000000003 109.8 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' A' ' 329' ' ' THR . 23.9 t80 -54.91 -56.35 20.48 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.522 -0.737 . . . . 0.56999999999999995 109.732 -179.716 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.88 -37.77 60.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.4 -0.813 . . . . 1.6599999999999999 110.005 -179.573 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.68 86.97 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.925 . . . . 1.29 110.129 -179.364 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.428 ' CD2' HG22 ' C' ' 332' ' ' ILE . 28.5 m-85 -61.45 -51.37 69.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.40000000000000002 109.358 -179.763 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 10.5 ttm180 -50.99 -37.74 46.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 3.8500000000000001 109.686 179.923 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.48 -46.23 90.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.266 -0.896 . . . . 1.78 110.129 -179.532 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.64 -43.32 99.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 1.1699999999999999 109.545 -179.724 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -46.46 85.94 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 1.2 109.743 -179.894 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.74 -37.29 86.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 2.1200000000000001 109.79 -179.649 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.89 -48.02 83.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 1.0700000000000001 110.052 -179.71 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 50.6 mt -61.53 -44.75 96.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.35 -0.844 . . . . 1.1399999999999999 109.772 -179.672 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.26 -36.49 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.175 -0.953 . . . . 2.0899999999999999 109.475 179.938 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 15.7 tp -64.22 -41.42 97.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 1.3799999999999999 109.46 179.96 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.33 -49.32 76.06 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.422 -0.799 . . . . 2.6800000000000002 109.089 179.909 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.93 -30.92 64.44 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.62 -0.675 . . . . 1.3400000000000001 109.652 179.723 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.78 84.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.356 -0.84 . . . . 1.3 109.929 -179.583 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -6.88 59.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 1.8 109.855 -179.712 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -24.12 61.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 1.47 109.347 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 -1.08 87.98 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.871 -1.291 . . . . 1.6599999999999999 109.871 -179.967 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.23 121.01 28.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -1.222 . . . . 4.7800000000000002 109.728 -179.685 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 163.31 0.56 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.241 -0.912 . . . . 6.1900000000000004 109.656 179.939 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.8 142.13 92.59 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.261 1.974 . . . . 6.1799999999999997 110.242 179.863 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.574 -1.41 . . . . 6.9000000000000004 109.574 179.95 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.252 0.548 . . . . 7.6900000000000004 109.538 . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' D' ' 322' ' ' PRO . 11.8 tttt 61.39 -144.06 0.45 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 7.4500000000000002 109.161 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.723 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 27.1 mmtt 43.31 -97.97 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 117.775 -1.107 . . . . 6.8399999999999999 110.26 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.723 ' CD ' ' CB ' ' D' ' 321' ' ' LYS . 1.3 Cg_endo -62.03 84.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.483 0.896 0 CA-C-N 120.986 1.388 . . . . 5.1200000000000001 110.807 179.783 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' D' ' 320' ' ' LYS . 8.4 mt -86.81 -0.19 55.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.049 -1.032 . . . . 4.6600000000000001 109.486 179.348 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.7 -14.63 51.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.304 -0.873 . . . . 2.46 109.975 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.99 120.29 7.19 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.843 -1.303 . . . . 1.0800000000000001 109.843 -179.995 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.18 123.0 17.5 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.621 -0.929 . . . . 1.6699999999999999 109.139 179.476 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 79.3 m-85 -95.89 149.36 21.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.95 -1.093 . . . . 1.01 109.881 -179.701 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 92.9 m-85 -138.05 -168.98 2.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.63 109.224 179.899 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.3 p -154.26 158.94 40.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 1.1299999999999999 109.634 -179.884 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -147.07 129.03 15.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 1.1000000000000001 109.478 -179.818 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 37.0 tt0 -87.34 129.86 34.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.3700000000000001 109.631 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' D' ' 341' ' ' PHE . 45.9 mt -123.68 120.59 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.14 -0.975 . . . . 1.1499999999999999 109.389 179.606 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -73.16 151.74 41.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 2.77 109.765 -179.915 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.94 138.95 4.43 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.764 -1.334 . . . . 0.42999999999999999 109.764 179.765 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.507 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 0.0 OUTLIER -79.21 -45.78 19.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -1.145 . . . . 3.1200000000000001 109.323 179.89 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.68 -46.58 86.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.37 -0.831 . . . . 2.2200000000000002 109.522 179.987 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 6.6 tpp180 -61.25 -44.86 96.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.295 -0.878 . . . . 3.5 109.754 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' O ' ' B' ' 329' ' ' THR . 24.0 t80 -54.79 -56.36 20.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.417 -0.802 . . . . 0.5 109.876 -179.748 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -52.78 -37.78 60.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.434 -0.791 . . . . 1.6899999999999999 110.089 -179.699 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.58 87.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 1.1399999999999999 110.214 -179.379 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.422 ' CD2' HG22 ' D' ' 332' ' ' ILE . 28.7 m-85 -61.49 -51.47 68.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.32000000000000001 109.326 -179.839 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.94 -37.61 45.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 2.96 109.722 179.976 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.46 -46.29 90.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.297 -0.877 . . . . 1.75 110.141 -179.582 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.71 -43.23 99.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 1.0800000000000001 109.661 -179.667 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.16 -46.52 85.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 1.22 109.748 179.925 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.77 -37.29 86.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 1.73 109.79 -179.607 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.12 82.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.357 -0.839 . . . . 1.0700000000000001 110.025 -179.759 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.423 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 51.7 mt -61.5 -44.68 96.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 1.1100000000000001 109.793 -179.689 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.36 -36.49 75.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.503 179.87 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 15.8 tp -64.24 -41.42 96.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 1.1699999999999999 109.46 -179.987 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.26 -49.46 75.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.349 -0.844 . . . . 2.1499999999999999 109.044 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.91 -30.89 64.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.634 -0.666 . . . . 1.4399999999999999 109.622 179.762 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.67 84.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.3 109.963 -179.605 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.93 -6.91 59.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.17 -0.956 . . . . 1.3999999999999999 109.804 -179.687 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.03 61.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.122 -0.986 . . . . 1.6000000000000001 109.449 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.7 -0.85 87.68 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.841 -1.304 . . . . 1.5 109.841 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.28 121.11 28.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -1.168 . . . . 4.5499999999999998 109.72 -179.837 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 163.42 0.56 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 5.6699999999999999 109.556 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.94 142.13 91.89 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.211 1.941 . . . . 6.1200000000000001 110.258 179.803 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.555 -1.418 . . . . 7.2699999999999996 109.555 179.902 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.517 -0.549 . . . . 7.6600000000000001 109.517 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 321' ' ' LYS . 2.4 mtmt 59.03 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.248 -0.908 . . . . 7.5099999999999998 109.371 179.943 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.514 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 3.9 pttp 40.74 58.42 8.15 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.449 -0.782 . . . . 6.8099999999999996 110.134 -179.998 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.8 Cg_endo -60.97 164.23 14.63 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.085 1.857 . . . . 5.1500000000000004 109.919 179.592 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.02 95.33 6.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.019 -1.051 . . . . 4.7000000000000002 109.584 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 8.0 m-20 -82.66 -170.72 3.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.447 -0.783 . . . . 2.48 109.466 179.799 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 -179.0 20.08 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.348 -1.501 . . . . 1.0800000000000001 109.348 179.661 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.12 136.64 58.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -1.198 . . . . 1.7 109.465 179.957 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 65.1 m-85 -93.3 158.81 15.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 1.04 109.355 179.938 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.4 m-85 -139.72 -169.46 2.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.65000000000000002 109.523 -179.962 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -153.58 156.24 37.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.324 -0.86 . . . . 1.1399999999999999 109.377 -179.854 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 29.1 tp -149.67 135.4 18.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 1.0900000000000001 109.522 -179.733 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.85 134.23 33.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.3700000000000001 109.499 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 45.5 mt -124.05 111.4 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 1.1499999999999999 109.571 179.96 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.38 144.0 46.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 2.79 109.494 179.833 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.446 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 100.49 140.19 11.2 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.725 -1.35 . . . . 0.45000000000000001 109.725 179.809 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -79.82 -59.46 2.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -1.159 . . . . 3.1600000000000001 109.473 179.866 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.81 -42.4 89.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.387 -0.82 . . . . 2.2200000000000002 109.786 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 340' ' ' MET . 5.8 ttm180 -60.41 -44.09 96.06 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.364 -0.835 . . . . 3.54 109.94 -179.606 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.9 t80 -54.52 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.283 -0.886 . . . . 0.5 109.66 -179.791 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.6 -31.32 35.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 1.6599999999999999 109.985 -179.848 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.452 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 2.9 ttp -65.88 -50.2 65.36 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.21 -0.931 . . . . 1.1499999999999999 109.756 -179.813 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.59 -52.57 64.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.34000000000000002 109.328 -179.941 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -50.66 -37.1 38.9 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 2.9399999999999999 109.633 179.824 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.74 -45.34 94.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 1.74 109.854 -179.823 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.91 -44.86 95.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 109.604 -179.762 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.56 -45.3 85.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.321 -0.862 . . . . 1.22 109.593 179.944 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.71 -36.29 82.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 1.72 109.515 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.5 73.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.799 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.13 -42.36 98.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.151 -0.968 . . . . 1.0800000000000001 109.601 -179.646 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.301 -0.875 . . . . 1.9099999999999999 109.445 179.936 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.501 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 33.0 tp -63.9 -40.92 97.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.378 -0.826 . . . . 1.1499999999999999 109.369 179.958 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -50.34 72.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.837 -0.801 . . . . 2.1400000000000001 108.837 179.666 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -31.46 63.96 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.701 -0.625 . . . . 1.4299999999999999 109.562 179.706 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.99 79.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 1.3 109.44 -179.758 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.84 -8.51 59.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.9 . . . . 1.4199999999999999 109.485 179.952 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -88.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -0.907 . . . . 1.5800000000000001 109.198 179.708 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.52 103.19 1.59 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.408 -1.477 . . . . 1.54 109.408 179.703 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -85.87 -153.62 0.19 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -1.21 . . . . 4.5499999999999998 109.399 -179.93 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.31 133.91 17.15 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 5.71 109.269 179.97 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.7 123.62 13.37 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 121.946 1.764 . . . . 6.0899999999999999 110.193 -179.871 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.978 -1.457 . . . . 7.2400000000000002 109.536 179.974 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.492 -0.559 . . . . 7.6699999999999999 109.492 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' B' ' 321' ' ' LYS . 2.4 mtmt 58.99 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 7.46 109.427 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 3.9 pttp 40.88 58.31 8.34 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 6.79 110.172 179.934 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.8 Cg_endo -60.95 164.17 14.73 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.142 1.895 . . . . 5.1500000000000004 109.924 179.585 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.06 95.38 6.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 4.6600000000000001 109.53 179.939 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . 0.405 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 8.1 m-20 -82.62 -170.77 3.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.386 -0.821 . . . . 2.4700000000000002 109.386 179.747 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 -179.1 20.35 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.3 -1.52 . . . . 1.0600000000000001 109.3 179.696 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.99 136.55 57.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.138 -1.213 . . . . 1.6100000000000001 109.512 179.94 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 64.2 m-85 -93.27 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.96999999999999997 109.416 179.956 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 90.7 m-85 -139.7 -169.51 2.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.234 -0.916 . . . . 0.59999999999999998 109.571 -179.927 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 35.0 p -153.54 156.32 37.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.207 -0.933 . . . . 1.1000000000000001 109.397 -179.904 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' D' ' 329' ' ' THR . 28.7 tp -149.77 135.36 18.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.202 -0.936 . . . . 1.1000000000000001 109.542 -179.689 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 35.4 tt0 -85.89 134.27 33.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.476 -179.945 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.01 111.41 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 1.1699999999999999 109.598 179.942 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.43 143.98 46.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 2.79 109.522 179.823 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 100.56 140.11 11.16 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.727 -1.349 . . . . 0.47999999999999998 109.727 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.502 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -79.75 -59.38 2.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -1.116 . . . . 3.2200000000000002 109.463 179.954 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.88 -42.48 89.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 2.21 109.726 -179.991 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' B' ' 340' ' ' MET . 5.7 ttm180 -60.37 -44.02 95.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.302 -0.873 . . . . 3.5499999999999998 109.975 -179.556 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.46 -58.27 8.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.829 . . . . 0.52000000000000002 109.591 -179.819 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.46 -31.52 35.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 1.6799999999999999 109.859 -179.745 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.455 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 2.9 ttp -65.81 -50.19 65.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 109.724 -179.721 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.64 -52.6 64.46 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.255 -0.903 . . . . 0.33000000000000002 109.299 -179.871 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -50.67 -37.05 38.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.398 -0.814 . . . . 3.02 109.611 179.848 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.85 -45.13 95.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 1.75 109.957 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.96 -44.9 95.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 109.605 -179.866 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.49 -45.4 84.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.214 -0.929 . . . . 1.21 109.547 179.985 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -36.26 82.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.873 . . . . 1.6899999999999999 109.558 -179.885 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.46 -50.32 74.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 1.0600000000000001 109.87 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.32 -42.32 98.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 1.0800000000000001 109.512 -179.645 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.54 -37.33 78.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.9299999999999999 109.467 179.885 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 33.4 tp -63.86 -40.99 97.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 1.1399999999999999 109.373 179.924 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.41 72.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.274 -0.891 . . . . 2.1899999999999999 108.799 179.719 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -31.5 63.82 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.729 -0.607 . . . . 1.4299999999999999 109.635 179.659 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.87 79.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.521 -179.825 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -82.84 -8.58 59.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 1.3999999999999999 109.511 179.939 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -88.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 1.5700000000000001 109.163 179.798 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.61 103.41 1.63 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.399 -1.48 . . . . 1.53 109.399 179.738 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -86.03 -153.6 0.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -1.103 . . . . 4.5800000000000001 109.345 -179.873 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.36 134.07 17.42 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.196 -0.94 . . . . 5.6799999999999997 109.137 -179.913 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.87 123.65 13.38 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.925 1.75 . . . . 6.0499999999999998 110.168 -179.914 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.954 -1.47 . . . . 7.2000000000000002 109.548 179.942 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.442 -0.577 . . . . 9.2200000000000006 109.442 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' C' ' 321' ' ' LYS . 2.4 mtmt 58.98 -91.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 8.5099999999999998 109.382 -179.979 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.524 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 3.8 pttp 40.76 58.46 8.18 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.402 -0.811 . . . . 7.4199999999999999 110.087 -179.985 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.8 Cg_endo -61.01 164.22 14.73 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.161 1.908 . . . . 5.0499999999999998 109.896 179.575 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.03 95.39 6.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 5.1399999999999997 109.476 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 8.1 m-20 -82.69 -170.79 3.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 2.8500000000000001 109.416 179.721 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 -179.16 20.39 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 1.27 109.417 179.66 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.02 136.52 57.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.176 -1.191 . . . . 2.1099999999999999 109.483 179.987 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 65.2 m-85 -93.26 158.78 15.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 1.01 109.408 179.932 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.4 m-85 -139.68 -169.58 2.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.57999999999999996 109.513 -179.836 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.402 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 35.2 p -153.5 156.13 37.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.232 -0.918 . . . . 1.1599999999999999 109.41 -179.952 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 28.7 tp -149.52 135.54 18.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 1.1699999999999999 109.657 -179.847 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.98 134.16 33.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.955 . . . . 1.8100000000000001 109.454 -179.896 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 45.0 mt -123.93 111.37 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.958 . . . . 1.1299999999999999 109.613 179.977 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.452 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.54 144.07 46.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.218 -0.926 . . . . 2.8199999999999998 109.445 179.889 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.452 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 100.5 140.13 11.17 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.776 -1.33 . . . . 0.45000000000000001 109.776 179.883 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.509 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -79.8 -59.32 2.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -1.159 . . . . 3.0800000000000001 109.511 179.885 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.94 -42.43 89.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 2.54 109.755 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' C' ' 340' ' ' MET . 5.7 ttm180 -60.3 -44.27 95.56 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 4.1100000000000003 109.875 -179.615 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -54.37 -58.25 8.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.247 -0.908 . . . . 0.56999999999999995 109.687 -179.699 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.4 -31.5 34.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 1.6599999999999999 109.98 -179.879 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.455 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 2.8 ttp -65.75 -50.2 65.63 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.29 -0.881 . . . . 1.29 109.681 -179.736 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.68 -52.54 64.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.247 -0.908 . . . . 0.40000000000000002 109.333 -179.837 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -50.75 -37.03 39.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.397 -0.814 . . . . 3.8500000000000001 109.531 179.871 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.7 -45.34 94.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.206 -0.934 . . . . 1.78 109.889 -179.786 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 72.6 mt -61.88 -44.9 95.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 1.1699999999999999 109.554 -179.746 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.58 -45.34 85.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 1.2 109.544 -179.959 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.69 -36.13 81.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.287 -0.883 . . . . 2.1200000000000001 109.582 -179.911 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.31 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 109.886 -179.864 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.2 -42.35 98.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.848 . . . . 1.1399999999999999 109.646 -179.785 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.5 -37.37 78.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.0899999999999999 109.456 179.903 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.457 HD12 ' NE2' ' D' ' 354' ' ' GLN . 33.2 tp -63.88 -40.93 97.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.3 -0.875 . . . . 1.3799999999999999 109.376 179.994 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -50.43 72.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.383 -0.823 . . . . 2.6800000000000002 108.889 179.602 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.685 -0.634 . . . . 1.3400000000000001 109.589 179.698 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.83 78.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.28 -0.888 . . . . 1.3 109.491 -179.776 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.4 ' NE2' HD12 ' D' ' 350' ' ' LEU . 1.4 mt-30 -82.85 -8.58 59.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.903 . . . . 1.8 109.556 179.879 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -88.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.185 -0.947 . . . . 1.47 109.173 179.832 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.69 103.29 1.62 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.364 -1.494 . . . . 1.6599999999999999 109.364 179.72 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -85.85 -153.63 0.19 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -1.129 . . . . 4.7800000000000002 109.368 -179.872 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.35 133.98 17.38 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 6.1900000000000004 109.215 179.944 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.81 123.58 13.25 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.991 1.794 . . . . 6.1799999999999997 110.14 -179.817 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 117.939 -1.478 . . . . 6.9000000000000004 109.573 179.978 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.457 -0.572 . . . . 7.6900000000000004 109.457 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' D' ' 321' ' ' LYS . 2.4 mtmt 59.07 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -0.882 . . . . 7.4500000000000002 109.389 179.966 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.513 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 3.8 pttp 40.8 58.44 8.24 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.5 -0.75 . . . . 6.8399999999999999 110.087 179.941 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.8 Cg_endo -61.05 164.24 14.82 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.074 1.85 . . . . 5.1200000000000001 109.931 179.606 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.04 95.33 6.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 4.6600000000000001 109.545 179.948 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.62 -170.7 3.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.494 -0.754 . . . . 2.46 109.467 179.714 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.01 -179.09 20.37 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.301 -1.52 . . . . 1.0800000000000001 109.301 179.724 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.02 136.61 58.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 1.6699999999999999 109.499 179.878 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.26 158.79 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 1.01 109.338 179.975 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.5 m-85 -139.83 -169.6 2.75 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.17 -0.956 . . . . 0.63 109.553 -179.988 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 34.7 p -153.49 156.33 37.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 1.1299999999999999 109.379 -179.892 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' B' ' 329' ' ' THR . 28.7 tp -149.69 135.39 18.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 1.1000000000000001 109.521 -179.639 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.87 134.18 33.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.32 -0.862 . . . . 1.3700000000000001 109.517 179.969 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 45.6 mt -124.03 111.34 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 1.1499999999999999 109.592 179.961 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.36 144.04 46.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.241 -0.912 . . . . 2.77 109.487 179.843 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 100.54 140.16 11.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.734 -1.346 . . . . 0.42999999999999999 109.734 179.78 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -79.87 -59.35 2.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 3.1200000000000001 109.437 179.904 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.86 -42.53 89.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 2.2200000000000002 109.674 -179.956 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' D' ' 340' ' ' MET . 5.8 ttm180 -60.36 -44.11 95.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.217 -0.927 . . . . 3.5 109.814 -179.474 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -54.55 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.961 . . . . 0.5 109.611 -179.723 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.54 -31.4 35.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.6899999999999999 110.019 -179.821 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.452 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 2.9 ttp -65.91 -50.1 65.65 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.063 -1.023 . . . . 1.1399999999999999 109.66 -179.734 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.68 -52.63 64.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.32000000000000001 109.269 -179.881 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -50.62 -37.1 38.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.314 -0.866 . . . . 2.96 109.569 179.881 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.68 -45.3 94.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 1.75 109.881 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.99 -44.95 95.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.943 . . . . 1.0800000000000001 109.538 -179.659 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.44 -45.42 84.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 1.22 109.566 179.912 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.64 -36.22 82.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.432 -0.793 . . . . 1.73 109.557 -179.915 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.29 74.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 1.0700000000000001 109.904 -179.884 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.25 -42.31 98.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.848 . . . . 1.1100000000000001 109.625 -179.763 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.62 -37.16 77.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.9099999999999999 109.466 179.921 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 33.4 tp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.313 -0.867 . . . . 1.1699999999999999 109.325 -179.964 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -50.33 72.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.796 -0.816 . . . . 2.1499999999999999 108.796 179.677 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -31.38 64.06 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.609 -0.682 . . . . 1.4399999999999999 109.624 179.746 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.0 79.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 1.3 109.519 -179.9 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.457 ' NE2' HD12 ' C' ' 350' ' ' LEU . 1.4 mt-30 -82.8 -8.65 59.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.3999999999999999 109.569 179.877 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.41 -88.38 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.163 -0.961 . . . . 1.6000000000000001 109.149 179.795 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.73 103.27 1.62 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.376 -1.49 . . . . 1.5 109.376 179.761 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -85.91 -153.67 0.19 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -1.185 . . . . 4.5499999999999998 109.423 -179.932 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.21 133.95 16.39 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.218 -0.926 . . . . 5.6699999999999999 109.204 -179.95 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.8 123.61 13.32 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.044 1.83 . . . . 6.1200000000000001 110.157 -179.862 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.5 -1.44 . . . . 7.2699999999999996 109.5 179.946 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 320' ' ' LYS . 20.8 mttt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.33 -0.618 . . . . 7.6600000000000001 109.33 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 319' ' ' LYS . 0.1 OUTLIER 59.08 111.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 7.5099999999999998 109.2 -179.775 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 14.5 mttm 59.06 94.07 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 6.8099999999999996 109.389 179.976 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.8 -80.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 121.956 1.771 . . . . 5.1500000000000004 109.964 179.892 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.79 113.85 20.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 4.7000000000000002 109.52 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.78 161.75 25.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 2.48 109.326 179.813 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 153.35 52.89 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.376 -1.489 . . . . 1.0800000000000001 109.376 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.26 131.32 50.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.204 -1.174 . . . . 1.7 109.461 -179.684 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.82 154.43 17.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -0.915 . . . . 1.04 109.505 -179.92 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.6 m-85 -138.14 -169.39 2.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.164 -0.96 . . . . 0.65000000000000002 109.675 179.93 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 328' ' ' PHE . 1.2 p -154.0 157.5 39.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 1.1399999999999999 109.226 -179.757 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.26 130.28 14.4 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.18 -0.95 . . . . 1.0900000000000001 109.388 -179.941 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.4 tt0 -86.61 132.76 33.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 1.3700000000000001 109.369 179.794 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mt -124.11 116.17 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.179 -0.951 . . . . 1.1499999999999999 109.555 179.768 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.04 42.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.482 -0.761 . . . . 2.79 109.174 179.671 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.77 134.72 7.48 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.754 -1.338 . . . . 0.45000000000000001 109.754 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -77.38 -63.35 1.39 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.243 -1.151 . . . . 3.1600000000000001 109.34 -179.924 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.13 -38.21 76.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.391 -0.818 . . . . 2.2200000000000002 109.819 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.49 ' NH1' HD12 ' C' ' 348' ' ' LEU . 11.1 tpp180 -63.06 -46.1 89.05 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.236 -0.915 . . . . 3.54 109.548 -179.867 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.9 t80 -53.47 -51.05 63.98 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.313 -0.867 . . . . 0.5 109.677 -179.861 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -52.49 -39.21 60.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.31 -0.869 . . . . 1.6599999999999999 110.06 -179.735 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -61.89 -47.97 82.58 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.186 -0.946 . . . . 1.1499999999999999 110.232 -179.115 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' C' ' 348' ' ' LEU . 25.0 m-85 -60.34 -54.55 44.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.166 -0.959 . . . . 0.34000000000000002 109.239 -179.808 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.25 -36.32 30.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.357 -0.839 . . . . 2.9399999999999999 109.367 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.31 -48.35 81.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 1.74 109.707 -179.896 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.63 -40.64 92.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.407 -179.534 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.429 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 44.4 t30 -58.11 -47.74 82.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.327 -0.858 . . . . 1.22 109.491 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.09 -35.2 79.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.84 . . . . 1.72 109.872 -179.656 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.36 77.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0700000000000001 109.839 -179.709 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.504 HD12 ' NH1' ' C' ' 337' ' ' ARG . 46.5 mt -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 1.0800000000000001 109.802 -179.82 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.4 -37.63 81.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.624 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.415 ' CD2' ' NE2' ' B' ' 354' ' ' GLN . 8.8 tp -63.87 -44.19 93.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 109.667 -179.593 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.26 -42.42 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 2.1400000000000001 109.063 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.86 -32.03 63.29 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.601 -0.687 . . . . 1.4299999999999999 109.546 179.725 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.96 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.214 -0.929 . . . . 1.3 109.525 -179.939 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.27 -2.66 49.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 1.4199999999999999 109.595 179.929 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -62.17 1.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.139 -0.975 . . . . 1.5800000000000001 109.421 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.24 -1.05 63.02 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.864 -1.294 . . . . 1.54 109.864 -179.858 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.69 129.07 35.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -1.234 . . . . 4.5499999999999998 109.463 179.907 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.16 145.01 7.41 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 5.71 109.459 -179.748 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.39 -3.05 9.32 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.235 1.957 . . . . 6.0899999999999999 110.862 -179.905 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 N-CA-C 109.42 -1.472 . . . . 7.2400000000000002 109.42 -179.978 . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 320' ' ' LYS . 20.6 mttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.361 0.6 . . . . 7.6699999999999999 109.405 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 319' ' ' LYS . 0.1 OUTLIER 59.09 111.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 7.46 109.284 -179.835 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 59.19 94.03 0.05 OUTLIER Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.835 . . . . 6.79 109.29 179.962 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.64 -81.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.035 1.823 . . . . 5.1500000000000004 109.911 179.882 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.66 113.64 19.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.238 -0.914 . . . . 4.6600000000000001 109.68 179.749 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.76 161.51 25.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 2.4700000000000002 109.455 179.774 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.1 153.38 52.9 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.525 -1.43 . . . . 1.0600000000000001 109.525 179.875 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.45 131.21 50.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -1.199 . . . . 1.6100000000000001 109.524 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.84 154.41 17.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -0.933 . . . . 0.96999999999999997 109.49 -179.873 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.5 m-85 -138.2 -169.4 2.57 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.151 -0.968 . . . . 0.59999999999999998 109.741 179.878 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.2 p -153.9 157.62 39.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.285 -0.884 . . . . 1.1000000000000001 109.276 -179.742 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' D' ' 345' ' ' ASN . 17.6 tp -149.33 130.22 14.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 1.1000000000000001 109.537 -179.983 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.59 132.45 33.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -0.871 . . . . 1.3600000000000001 109.434 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.7 mt -124.06 115.98 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.594 179.913 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.77 139.31 43.25 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.454 -0.779 . . . . 2.79 109.267 179.684 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.41 134.93 7.63 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.766 -1.333 . . . . 0.47999999999999998 109.766 179.908 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -77.46 -63.47 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.349 -1.089 . . . . 3.2200000000000002 109.339 179.918 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.79 . . . . 2.21 109.84 -179.62 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.484 ' NH1' HD12 ' D' ' 348' ' ' LEU . 11.2 tpp180 -62.95 -46.02 89.74 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.252 -0.905 . . . . 3.5499999999999998 109.635 -179.816 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.452 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.9 t80 -53.55 -51.03 64.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.298 -0.876 . . . . 0.52000000000000002 109.719 -179.884 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.43 -39.2 60.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.904 . . . . 1.6799999999999999 110.095 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -61.79 -47.93 82.9 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.104 -0.998 . . . . 1.1499999999999999 110.31 -179.151 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' D' ' 348' ' ' LEU . 24.8 m-85 -60.48 -54.68 42.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.33000000000000002 109.06 -179.8 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.07 -36.58 29.84 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 3.02 109.39 179.769 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.16 -48.27 82.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.75 109.782 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.58 -40.58 92.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 1.0700000000000001 109.427 -179.553 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.415 ' HB2' HD22 ' D' ' 330' ' ' LEU . 43.8 t30 -58.21 -48.03 81.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.276 -0.89 . . . . 1.21 109.455 179.721 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.8 -35.15 78.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -0.807 . . . . 1.6899999999999999 110.054 -179.718 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.49 77.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 1.0600000000000001 109.757 -179.743 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.503 HD12 ' NH1' ' D' ' 337' ' ' ARG . 48.2 mt -62.14 -41.36 98.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 1.0800000000000001 109.614 -179.641 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.44 -37.61 81.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 1.9299999999999999 109.701 -179.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.91 -44.15 93.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 1.1399999999999999 109.661 -179.716 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -62.25 -42.67 99.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.217 -0.927 . . . . 2.1899999999999999 108.961 179.965 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.64 -32.1 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.574 -0.703 . . . . 1.4299999999999999 109.558 179.732 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.84 81.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 1.3100000000000001 109.539 -179.812 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.415 ' NE2' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -81.21 -2.78 50.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.3999999999999999 109.664 179.835 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -62.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 1.5700000000000001 109.445 -179.98 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.1 -1.1 62.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.839 -1.304 . . . . 1.53 109.839 -179.785 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 129.12 34.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.097 -1.237 . . . . 4.5800000000000001 109.379 179.881 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' B' ' 359' ' ' PRO . 2.0 mt-10 -49.31 145.05 7.82 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 5.6799999999999997 109.462 -179.825 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 358' ' ' GLU . 1.1 Cg_endo -67.36 -3.13 9.43 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.148 1.899 . . . . 6.0499999999999998 110.813 -179.966 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.42 -1.472 . . . . 7.2000000000000002 109.42 -179.928 . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 320' ' ' LYS . 20.8 mttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.423 0.63 . . . . 9.2200000000000006 109.383 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 319' ' ' LYS . 0.1 OUTLIER 59.07 111.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 8.5099999999999998 109.242 -179.879 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 58.95 94.11 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 7.4199999999999999 109.427 -179.943 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.73 -81.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.027 1.818 . . . . 5.0499999999999998 109.885 179.953 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.78 113.58 19.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 5.1399999999999997 109.581 179.896 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.78 161.65 25.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.197 -0.94 . . . . 2.8500000000000001 109.273 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.22 153.39 52.91 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.455 -1.458 . . . . 1.27 109.455 179.862 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -59.38 131.27 50.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.105 -1.232 . . . . 2.1099999999999999 109.503 -179.813 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.81 154.24 17.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 1.01 109.481 -179.89 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.0 m-85 -138.03 -169.44 2.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.57999999999999996 109.665 179.967 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.408 HG21 ' O ' ' C' ' 328' ' ' PHE . 1.3 p -154.01 157.54 39.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 1.1599999999999999 109.283 -179.842 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.32 130.06 14.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.161 -0.962 . . . . 1.1699999999999999 109.464 -179.956 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.43 132.57 33.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.302 -0.874 . . . . 1.8100000000000001 109.423 179.909 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.3 mt -123.94 116.11 47.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.205 -0.934 . . . . 1.1299999999999999 109.582 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.0 139.08 42.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.375 -0.828 . . . . 2.8199999999999998 109.244 179.576 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.72 134.94 7.56 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.725 -1.35 . . . . 0.45000000000000001 109.725 179.898 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -77.66 -63.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -1.108 . . . . 3.0800000000000001 109.392 179.933 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.14 -38.17 76.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -0.833 . . . . 2.54 109.769 -179.659 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.504 ' NH1' HD12 ' A' ' 348' ' ' LEU . 11.2 tpp180 -63.23 -46.1 88.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.206 -0.934 . . . . 4.1100000000000003 109.58 -179.835 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -53.52 -50.95 64.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.367 -0.833 . . . . 0.56999999999999995 109.68 -179.856 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -52.49 -39.16 60.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.842 . . . . 1.6599999999999999 110.108 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.02 -47.78 83.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.233 -0.917 . . . . 1.29 110.238 -179.106 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 345' ' ' ASN . 25.2 m-85 -60.52 -54.67 42.68 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.40000000000000002 109.176 -179.858 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -50.08 -36.39 29.1 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.372 -0.83 . . . . 3.8500000000000001 109.363 179.733 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -48.42 81.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.78 109.777 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.28 -40.61 91.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 1.1699999999999999 109.472 -179.574 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.33 -47.96 82.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.339 -0.851 . . . . 1.2 109.485 179.757 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.64 -35.46 79.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 2.1200000000000001 109.913 -179.795 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.51 77.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.264 -0.898 . . . . 1.0700000000000001 109.822 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.49 HD12 ' NH1' ' A' ' 337' ' ' ARG . 49.0 mt -62.2 -41.34 98.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.344 -0.848 . . . . 1.1399999999999999 109.635 -179.624 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.44 -37.47 81.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.0899999999999999 109.634 -179.955 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -64.0 -44.29 93.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 1.3799999999999999 109.73 -179.666 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.19 -42.43 99.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.277 -0.889 . . . . 2.6800000000000002 109.003 179.951 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.83 -32.06 63.25 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.599 -0.688 . . . . 1.3400000000000001 109.544 179.724 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.83 81.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.274 -0.891 . . . . 1.3 109.524 -179.872 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' D' ' 350' ' ' LEU . 0.9 OUTLIER -81.21 -2.81 50.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.884 . . . . 1.8 109.703 179.876 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.12 -62.13 1.51 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.084 -1.01 . . . . 1.47 109.468 -179.967 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.03 62.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 109.881 -1.288 . . . . 1.6599999999999999 109.881 -179.932 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 129.15 35.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.13 -1.218 . . . . 4.7800000000000002 109.279 179.928 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.24 145.08 7.59 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 6.1900000000000004 109.524 -179.798 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.5 -2.94 9.21 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.147 1.898 . . . . 6.1799999999999997 110.795 -179.868 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.418 -1.473 . . . . 6.9000000000000004 109.418 -179.977 . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' D' ' 320' ' ' LYS . 21.2 mttt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.353 -0.61 . . . . 7.6900000000000004 109.353 . . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' D' ' 319' ' ' LYS . 0.1 OUTLIER 58.91 111.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.865 . . . . 7.4500000000000002 109.316 -179.749 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 14.5 mttm 59.17 94.13 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 6.8399999999999999 109.313 179.954 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.72 -81.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.088 1.859 . . . . 5.1200000000000001 109.904 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.74 113.57 19.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.888 . . . . 4.6600000000000001 109.595 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 161.69 25.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 2.46 109.427 179.895 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 153.37 52.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.292 -1.523 . . . . 1.0800000000000001 109.292 179.948 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.44 131.29 50.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.238 -1.154 . . . . 1.6699999999999999 109.545 -179.86 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -94.86 154.44 17.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.257 -0.902 . . . . 1.01 109.505 -179.859 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -138.26 -169.34 2.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.63 109.595 179.976 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.2 p -154.09 157.49 39.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.353 -0.842 . . . . 1.1299999999999999 109.277 -179.695 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' B' ' 345' ' ' ASN . 17.6 tp -149.31 130.16 14.24 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.099 -1.0 . . . . 1.1000000000000001 109.5 -179.935 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.51 132.7 33.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 1.3700000000000001 109.401 179.927 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.8 mt -124.07 116.2 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 1.1499999999999999 109.572 179.823 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.96 139.13 42.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 2.77 109.181 179.648 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.56 134.6 7.5 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.706 -1.358 . . . . 0.42999999999999999 109.706 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -77.34 -63.53 1.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.316 -1.108 . . . . 3.1200000000000001 109.292 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.88 -38.32 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.371 -0.831 . . . . 2.2200000000000002 109.833 -179.612 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.503 ' NH1' HD12 ' B' ' 348' ' ' LEU . 11.2 tpp180 -63.06 -46.15 88.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.227 -0.92 . . . . 3.5 109.56 -179.886 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -53.43 -50.93 64.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.349 -0.844 . . . . 0.5 109.729 -179.93 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -52.58 -39.15 61.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.875 . . . . 1.6899999999999999 110.016 -179.732 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.9 -47.99 82.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.238 -0.914 . . . . 1.1399999999999999 110.3 -179.094 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.425 ' CZ ' HD13 ' B' ' 348' ' ' LEU . 25.0 m-85 -60.35 -54.57 44.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.145 -0.972 . . . . 0.32000000000000001 109.224 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.2 -36.51 31.0 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.96 109.304 179.697 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.27 -48.22 82.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 1.75 109.713 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.67 -40.56 92.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.865 . . . . 1.0800000000000001 109.413 -179.52 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.403 ' HB2' HD22 ' B' ' 330' ' ' LEU . 44.3 t30 -58.31 -47.8 82.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 1.22 109.507 179.802 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -35.29 79.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 1.73 109.868 -179.782 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.58 76.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 1.0700000000000001 109.84 -179.698 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.484 HD12 ' NH1' ' B' ' 337' ' ' ARG . 49.3 mt -62.16 -41.26 98.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 1.1100000000000001 109.692 -179.715 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.51 -37.42 81.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.746 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.443 ' CD2' ' NE2' ' C' ' 354' ' ' GLN . 8.9 tp -63.94 -44.3 93.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 1.1699999999999999 109.711 -179.806 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.22 -42.61 99.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 2.1499999999999999 109.016 179.923 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.71 -31.98 62.94 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.537 -0.727 . . . . 1.4399999999999999 109.57 179.698 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.98 81.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.91 . . . . 1.3 109.489 -179.878 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.14 -2.71 49.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.3999999999999999 109.693 179.898 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -62.2 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.113 -0.992 . . . . 1.6000000000000001 109.437 -179.963 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.23 -0.94 62.69 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.856 -1.298 . . . . 1.5 109.856 -179.856 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 129.03 35.04 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -1.212 . . . . 4.5499999999999998 109.34 179.934 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.24 145.14 7.51 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.254 -0.904 . . . . 5.6699999999999999 109.541 -179.751 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.63 -2.68 8.88 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.298 1.999 . . . . 6.1200000000000001 110.845 -179.919 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.415 0 CA-C-O 117.9 -1.5 . . . . 7.2699999999999996 109.44 -179.945 . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.485 -0.561 . . . . 7.6600000000000001 109.485 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 20.4 tttt 70.46 -79.71 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.564 -0.71 . . . . 7.5099999999999998 109.986 179.951 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 12.0 pttm 42.93 75.14 0.67 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 6.8099999999999996 109.863 -179.73 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -71.41 14.68 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.726 2.284 . . . . 5.1500000000000004 111.472 179.488 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.77 34.42 0.44 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.538 -1.352 . . . . 4.7000000000000002 110.401 -179.769 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.9 -80.11 0.13 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.051 -1.03 . . . . 2.48 109.515 179.886 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.54 143.0 37.99 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.753 -1.339 . . . . 1.0800000000000001 109.753 -179.909 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.97 147.13 44.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -1.04 . . . . 1.7 109.629 179.92 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.68 17.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 1.04 109.453 179.897 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.3 m-85 -140.47 -171.89 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.58 -179.934 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 6.1 p -153.24 159.63 42.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 1.1399999999999999 109.383 -179.799 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 17.5 tp -149.1 130.59 14.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 1.0900000000000001 109.597 -179.791 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.264 -0.898 . . . . 1.3700000000000001 109.452 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.02 119.05 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.973 . . . . 1.1499999999999999 109.701 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 12.9 ttt180 -74.02 154.29 39.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.79 109.5 179.774 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.69 137.11 4.21 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.876 -1.29 . . . . 0.45000000000000001 109.876 179.679 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.91 -52.24 7.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -1.201 . . . . 3.1600000000000001 109.388 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -58.02 -46.22 85.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 2.2200000000000002 109.276 179.858 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.56 -40.87 93.18 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.303 -0.873 . . . . 3.54 109.337 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' C' ' 329' ' ' THR . 41.4 t80 -55.39 -55.58 30.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 0.5 109.564 -179.948 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.22 -32.5 24.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.324 -0.86 . . . . 1.6599999999999999 109.865 -179.788 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.24 -50.81 66.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.2 -0.937 . . . . 1.1499999999999999 109.953 -179.616 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.14 -55.93 26.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.34000000000000002 109.214 -179.931 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.22 -33.46 27.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 2.9399999999999999 109.437 179.766 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.27 -50.18 74.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.318 -0.864 . . . . 1.74 109.555 -179.892 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.37 -35.04 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 1.0700000000000001 108.967 179.728 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.85 -52.45 65.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 1.22 109.435 179.599 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.81 -32.6 73.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.413 -0.804 . . . . 1.72 109.791 -179.866 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.79 63.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.171 -0.956 . . . . 1.0700000000000001 109.923 -179.692 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 32.4 mt -61.16 -43.01 99.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 1.0800000000000001 109.544 -179.652 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.54 -35.62 74.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 1.9099999999999999 109.658 -179.966 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.4 tt -64.81 -43.22 93.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.281 -0.887 . . . . 1.1499999999999999 109.24 179.943 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.419 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.1 ttmm -61.43 -47.76 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.89 -0.782 . . . . 2.1400000000000001 108.89 179.751 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.76 -30.88 65.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.504 -0.747 . . . . 1.4299999999999999 109.352 179.574 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.99 -33.37 75.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.454 -0.779 . . . . 1.3 109.608 -179.817 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.65 -11.58 58.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 1.4199999999999999 109.381 179.912 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.35 38.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 1.5800000000000001 109.594 179.932 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.76 8.31 66.43 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.951 -1.26 . . . . 1.54 109.951 -179.75 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.92 -89.22 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.244 . . . . 4.5499999999999998 109.484 -179.949 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -51.92 151.8 6.07 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.134 -0.979 . . . . 5.71 109.592 -179.977 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.7 141.9 92.29 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.124 1.882 . . . . 6.0899999999999999 110.246 179.839 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.958 -1.468 . . . . 7.2400000000000002 109.553 179.929 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.437 -0.579 . . . . 7.6699999999999999 109.437 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 20.3 tttt 70.34 -79.67 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.467 -0.77 . . . . 7.46 109.997 179.889 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 12.1 pttm 42.97 75.1 0.67 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 6.79 109.857 -179.732 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.401 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 5.3 Cg_endo -71.23 14.53 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.794 2.329 . . . . 5.1500000000000004 111.51 179.409 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.79 34.46 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.614 -1.303 . . . . 4.6600000000000001 110.427 -179.701 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.98 -79.88 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.079 -1.013 . . . . 2.4700000000000002 109.499 179.907 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.79 143.0 37.57 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.768 -1.333 . . . . 1.0600000000000001 109.768 -179.916 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.88 147.24 43.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.442 -1.034 . . . . 1.6100000000000001 109.558 179.954 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.401 ' OH ' ' HB2' ' B' ' 322' ' ' PRO . 10.3 m-85 -95.03 154.62 17.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 0.96999999999999997 109.459 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -140.35 -171.94 3.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.59999999999999998 109.601 -179.888 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 6.1 p -153.2 159.71 42.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 1.1000000000000001 109.431 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' D' ' 329' ' ' THR . 17.4 tp -149.1 130.57 14.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 1.1000000000000001 109.562 -179.718 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.46 129.9 34.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 1.3600000000000001 109.499 -179.983 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.04 118.97 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.013 . . . . 1.1699999999999999 109.682 179.948 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 12.9 ttt180 -73.97 154.28 39.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 2.79 109.508 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.66 137.09 4.19 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.855 -1.298 . . . . 0.47999999999999998 109.855 179.677 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.8 -52.32 7.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -1.124 . . . . 3.2200000000000002 109.444 179.816 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.98 -46.17 85.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.21 109.316 179.862 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -40.96 93.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.381 -0.824 . . . . 3.5499999999999998 109.385 179.872 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.16 -55.65 28.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.745 . . . . 0.52000000000000002 109.627 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -51.33 -32.46 25.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -0.838 . . . . 1.6799999999999999 109.812 -179.758 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.78 66.7 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.226 -0.921 . . . . 1.1499999999999999 109.997 -179.668 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.08 -55.96 26.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.352 -0.843 . . . . 0.33000000000000002 109.226 -179.893 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.33 -33.32 28.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.406 -0.809 . . . . 3.02 109.464 179.792 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.28 -50.3 73.57 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.19 -0.944 . . . . 1.75 109.502 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.32 -34.98 76.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 1.0700000000000001 109.029 179.704 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -58.94 -52.42 65.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.402 -0.811 . . . . 1.21 109.318 179.608 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.9 -32.53 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.452 -0.78 . . . . 1.6899999999999999 109.751 -179.775 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.65 -52.64 64.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 1.0600000000000001 109.868 -179.619 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 32.6 mt -61.22 -42.97 99.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 109.541 -179.727 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.54 -35.74 74.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.9299999999999999 109.57 -179.951 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 351' ' ' LYS . 1.4 tt -64.87 -43.07 94.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.368 -0.832 . . . . 1.1399999999999999 109.258 -179.954 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.2 ttmm -61.43 -47.8 84.1 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.891 -0.781 . . . . 2.1899999999999999 108.891 179.746 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.71 -30.88 65.89 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.599 -0.688 . . . . 1.4299999999999999 109.392 179.522 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.32 75.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 1.3100000000000001 109.52 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -82.72 -11.52 58.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.217 -0.927 . . . . 1.3999999999999999 109.352 179.923 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.04 -5.28 37.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.142 -0.974 . . . . 1.5700000000000001 109.718 179.795 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.84 8.36 66.48 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.959 -1.257 . . . . 1.53 109.959 -179.759 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -85.9 -89.16 0.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.237 . . . . 4.5800000000000001 109.53 -179.944 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.09 151.78 6.43 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.283 -0.886 . . . . 5.6799999999999997 109.57 -179.97 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.64 141.9 92.63 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.188 1.925 . . . . 6.0499999999999998 110.237 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.992 -1.449 . . . . 7.2000000000000002 109.558 179.899 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.434 -0.58 . . . . 9.2200000000000006 109.434 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 20.5 tttt 70.38 -79.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.552 -0.718 . . . . 8.5099999999999998 109.971 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 12.1 pttm 42.85 75.16 0.66 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 7.4199999999999999 109.839 -179.706 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -71.42 14.84 0.36 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.693 2.262 . . . . 5.0499999999999998 111.536 179.42 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.89 34.45 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.694 -1.254 . . . . 5.1399999999999997 110.374 -179.798 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.95 -80.0 0.14 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 2.8500000000000001 109.55 179.807 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 143.08 38.03 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.74 -1.344 . . . . 1.27 109.74 -179.929 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.95 147.09 44.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.512 -0.993 . . . . 2.1099999999999999 109.603 179.913 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.62 17.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 1.01 109.585 179.804 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.8 m-85 -140.38 -171.93 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.105 -0.997 . . . . 0.57999999999999996 109.636 -179.898 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 6.3 p -153.22 159.55 42.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.279 -0.888 . . . . 1.1599999999999999 109.465 -179.834 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 329' ' ' THR . 17.3 tp -149.08 130.67 14.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 1.1699999999999999 109.541 -179.789 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.5 129.89 34.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.8100000000000001 109.487 -179.996 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 41.9 mt -124.07 119.02 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.187 -0.946 . . . . 1.1299999999999999 109.679 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 12.9 ttt180 -73.99 154.37 39.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 2.8199999999999998 109.567 179.748 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.59 137.07 4.14 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.917 -1.273 . . . . 0.45000000000000001 109.917 179.78 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.77 -52.39 7.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.106 . . . . 3.0800000000000001 109.437 179.802 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.92 -46.27 85.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 2.54 109.225 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -40.99 93.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.31 -0.869 . . . . 4.1100000000000003 109.284 179.952 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -55.18 -55.67 28.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 0.56999999999999995 109.579 -179.937 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.36 -32.4 25.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 1.6599999999999999 109.849 -179.718 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.8 ttp -64.23 -50.74 66.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.139 -0.976 . . . . 1.29 110.01 -179.682 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -61.07 -56.08 25.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.40000000000000002 109.172 -179.956 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.09 -33.38 25.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 3.8500000000000001 109.553 179.749 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.34 -50.21 73.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.904 . . . . 1.78 109.519 -179.889 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.49 -34.8 76.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 109.0 179.815 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -59.01 -52.43 65.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.382 -0.823 . . . . 1.2 109.422 179.487 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.76 -32.68 73.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.371 -0.831 . . . . 2.1200000000000001 109.817 -179.89 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.68 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 1.0700000000000001 109.942 -179.658 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.31 -42.89 99.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 1.1399999999999999 109.571 -179.726 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.49 -35.71 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 2.0899999999999999 109.598 179.953 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' C' ' 350' ' ' LEU . 1.4 tt -64.92 -43.08 93.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 1.3799999999999999 109.278 -179.941 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -61.33 -47.78 84.33 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.45 -0.781 . . . . 2.6800000000000002 108.992 179.626 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.79 -30.81 65.98 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.567 -0.708 . . . . 1.3400000000000001 109.408 179.549 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -33.31 75.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.469 -0.769 . . . . 1.3 109.524 -179.773 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -82.62 -11.62 58.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.8 109.376 179.864 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.02 -5.29 37.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.928 . . . . 1.47 109.64 179.865 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.82 8.25 66.83 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.905 -1.278 . . . . 1.6599999999999999 109.905 -179.678 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.83 -89.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.241 . . . . 4.7800000000000002 109.504 -179.933 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.91 151.86 5.99 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 6.1900000000000004 109.552 179.988 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.77 141.88 91.86 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.139 1.893 . . . . 6.1799999999999997 110.246 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.01 -1.439 . . . . 6.9000000000000004 109.517 179.921 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.495 -0.557 . . . . 7.6900000000000004 109.495 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 20.4 tttt 70.3 -79.56 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.55 -0.719 . . . . 7.4500000000000002 109.958 179.879 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 12.1 pttm 42.74 75.16 0.66 Allowed Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.229 -0.92 . . . . 6.8399999999999999 109.913 -179.634 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.4 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.2 Cg_endo -71.27 14.61 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.721 2.281 . . . . 5.1200000000000001 111.502 179.436 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.7 34.32 0.44 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.671 -1.268 . . . . 4.6600000000000001 110.467 -179.746 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.89 -80.1 0.13 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.169 -0.957 . . . . 2.46 109.519 179.964 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.57 143.09 38.1 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.749 -1.34 . . . . 1.0800000000000001 109.749 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.93 147.19 44.1 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.471 -1.017 . . . . 1.6699999999999999 109.575 179.894 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' D' ' 322' ' ' PRO . 10.4 m-85 -94.99 154.52 17.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 1.01 109.565 179.795 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 66.9 m-85 -140.32 -171.9 3.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 0.63 109.537 -179.873 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 6.1 p -153.22 159.6 42.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 1.1299999999999999 109.439 -179.819 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' B' ' 329' ' ' THR . 17.2 tp -149.08 130.56 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 1.1000000000000001 109.62 -179.804 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 129.96 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.343 -0.848 . . . . 1.3700000000000001 109.517 179.96 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 40.8 mt -124.09 118.91 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.224 -0.923 . . . . 1.1499999999999999 109.72 179.969 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 12.9 ttt180 -73.93 154.41 39.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 2.77 109.5 179.8 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.464 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.55 137.04 4.1 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.92 -1.272 . . . . 0.42999999999999999 109.92 179.681 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.89 -52.2 7.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -1.112 . . . . 3.1200000000000001 109.372 179.932 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.04 -46.24 85.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 2.2200000000000002 109.351 179.827 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -41.06 93.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.354 -0.841 . . . . 3.5 109.266 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.6 t80 -55.24 -55.64 29.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 0.5 109.551 -179.922 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -51.33 -32.4 25.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.6899999999999999 109.81 -179.71 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.87 66.34 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.936 -179.681 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.09 -56.02 25.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.32000000000000001 109.158 -179.862 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.23 -33.33 27.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 2.96 109.43 179.814 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.33 -50.26 73.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -0.935 . . . . 1.75 109.494 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.44 -34.97 76.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 108.903 179.77 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -58.85 -52.43 65.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.374 -0.829 . . . . 1.22 109.42 179.565 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.86 -32.54 73.79 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.49 -0.756 . . . . 1.73 109.756 -179.772 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.79 63.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 1.0700000000000001 109.927 -179.65 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.15 -42.89 99.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -0.937 . . . . 1.1100000000000001 109.62 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.68 -35.58 74.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.235 -0.916 . . . . 1.9099999999999999 109.637 -179.996 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.86 -43.16 93.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.1699999999999999 109.145 -179.973 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -61.4 -47.82 84.04 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.38 -0.825 . . . . 2.1499999999999999 108.953 179.711 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.76 -30.89 65.98 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.537 -0.727 . . . . 1.4399999999999999 109.353 179.582 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.37 75.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.367 -0.833 . . . . 1.3 109.608 -179.785 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -82.61 -11.45 58.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -0.941 . . . . 1.3999999999999999 109.451 179.851 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.45 39.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.228 -0.92 . . . . 1.6000000000000001 109.671 179.843 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.7 8.33 66.14 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.986 -1.246 . . . . 1.5 109.986 -179.746 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.95 -89.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.002 -1.293 . . . . 4.5499999999999998 109.48 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -51.98 151.81 6.18 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 5.6699999999999999 109.554 -179.932 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.76 142.01 92.39 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.16 1.907 . . . . 6.1200000000000001 110.26 179.848 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.484 -1.447 . . . . 7.2699999999999996 109.484 179.979 . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.439 -0.578 . . . . 7.6600000000000001 109.439 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 319' ' ' LYS . 5.1 mtmt 61.87 144.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.28 -0.888 . . . . 7.5099999999999998 109.35 -179.877 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 0.7 OUTLIER 57.7 96.93 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.185 -0.947 . . . . 6.8099999999999996 109.215 -179.915 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.77 89.59 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.173 1.915 . . . . 5.1500000000000004 110.553 -179.709 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 321' ' ' LYS . 4.1 mm? -80.9 4.61 18.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.899 . . . . 4.7000000000000002 109.639 179.604 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -78.64 -166.33 0.86 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 2.48 109.439 -179.854 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.87 165.01 45.7 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.456 -1.458 . . . . 1.0800000000000001 109.456 -179.847 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.83 139.61 56.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -1.107 . . . . 1.7 109.613 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.13 159.52 15.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 1.04 109.439 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.3 m-85 -139.48 -169.91 2.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 0.65000000000000002 109.493 -179.892 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 5.9 p -153.9 159.61 41.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 109.521 -179.776 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -148.98 129.98 14.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 1.0900000000000001 109.429 -179.855 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 43.1 tt0 -87.14 128.21 35.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.314 -0.866 . . . . 1.3700000000000001 109.753 -179.929 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.437 HD12 ' CG ' ' A' ' 341' ' ' PHE . 29.3 mt -124.23 115.9 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 1.1499999999999999 109.563 179.737 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.509 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -73.88 150.71 40.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 2.79 109.568 179.929 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.509 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 95.12 133.6 7.34 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.768 -1.333 . . . . 0.45000000000000001 109.768 179.824 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.491 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.0 ttt180 -76.85 -58.12 3.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.118 . . . . 3.1600000000000001 109.356 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.99 -42.54 90.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.4 -0.813 . . . . 2.2200000000000002 109.37 179.898 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.9 OUTLIER -60.5 -46.62 89.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.296 -0.878 . . . . 3.54 109.424 -179.883 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.6 t80 -55.73 -51.34 67.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.5 109.606 179.923 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.56 20.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 1.6599999999999999 109.702 -179.811 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.81 -49.8 73.5 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.256 -0.903 . . . . 1.1499999999999999 109.865 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' A' ' 332' ' ' ILE . 24.7 m-85 -60.95 -54.8 40.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.194 -0.941 . . . . 0.34000000000000002 109.151 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.51 23.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.467 -0.771 . . . . 2.9399999999999999 109.525 179.833 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.95 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.919 . . . . 1.74 109.698 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.34 -33.97 74.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.103 179.971 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.63 -51.13 71.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.841 . . . . 1.22 109.464 179.741 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 1.72 109.759 -179.736 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.79 84.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 110.045 -179.626 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.522 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 57.0 mt -61.55 -45.38 94.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 1.0800000000000001 109.784 -179.608 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.5 -35.3 75.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 1.9099999999999999 109.634 179.92 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.85 -47.46 77.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.289 -0.882 . . . . 1.1499999999999999 109.79 -179.82 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.68 -41.34 97.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.336 -0.852 . . . . 2.1400000000000001 109.037 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.25 -34.33 68.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.65 -0.656 . . . . 1.4299999999999999 109.565 179.644 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.31 -41.54 89.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.3 109.354 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.05 1.36 31.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.91 . . . . 1.4199999999999999 109.601 179.892 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -77.89 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.5800000000000001 109.715 -179.937 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.31 -0.33 36.75 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.209 -1.156 . . . . 1.54 110.209 -179.622 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 4.9 tttt -85.16 124.34 31.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.035 -1.273 . . . . 4.5499999999999998 109.219 179.947 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 106.51 0.6 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.882 . . . . 5.71 109.584 -179.953 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.6 Cg_exo -60.42 144.58 99.52 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.987 1.791 . . . . 6.0899999999999999 110.222 179.941 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 7.2400000000000002 109.546 179.991 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 320' ' ' LYS . 21.1 mttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.415 -0.587 . . . . 7.6699999999999999 109.415 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 319' ' ' LYS . 5.1 mtmt 61.93 144.36 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.972 . . . . 7.46 109.349 -179.923 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER 57.62 96.93 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 6.79 109.251 -179.79 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.71 89.55 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.098 1.865 . . . . 5.1500000000000004 110.62 -179.803 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' B' ' 321' ' ' LYS . 4.1 mm? -80.94 4.74 18.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 4.6600000000000001 109.617 179.633 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -78.72 -166.55 0.9 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.142 -0.973 . . . . 2.4700000000000002 109.484 -179.982 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 164.98 44.27 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.508 -1.437 . . . . 1.0600000000000001 109.508 -179.948 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.81 139.71 56.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.222 -1.164 . . . . 1.6100000000000001 109.552 -179.929 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 12.5 m-85 -93.16 159.46 15.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 0.96999999999999997 109.469 179.869 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.2 m-85 -139.47 -169.89 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.59999999999999998 109.574 -179.916 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 5.8 p -153.96 159.62 41.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.187 -0.946 . . . . 1.1000000000000001 109.488 -179.837 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.98 130.02 14.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.402 -179.885 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 43.1 tt0 -87.09 128.25 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 1.3600000000000001 109.751 -179.917 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.437 HD12 ' CG ' ' B' ' 341' ' ' PHE . 29.4 mt -124.22 115.87 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 1.1699999999999999 109.534 179.728 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.504 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -73.79 150.72 40.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 2.79 109.631 179.831 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.504 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.03 133.66 7.33 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.715 -1.354 . . . . 0.47999999999999998 109.715 179.746 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.1 ttt180 -76.79 -58.08 3.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -1.12 . . . . 3.2200000000000002 109.442 179.882 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.9 -42.67 90.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 2.21 109.394 179.795 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.9 OUTLIER -60.47 -46.63 89.39 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.267 -0.896 . . . . 3.5499999999999998 109.439 -179.887 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.4 t80 -55.74 -51.41 67.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.52000000000000002 109.529 -179.984 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.79 -34.64 20.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.851 . . . . 1.6799999999999999 109.661 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -62.87 -49.71 73.79 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.102 -0.999 . . . . 1.1499999999999999 109.803 -179.664 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.437 ' CG ' HD12 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.04 -54.82 40.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.204 -0.935 . . . . 0.33000000000000002 109.087 -179.976 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.55 23.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.443 -0.785 . . . . 3.02 109.484 179.896 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.86 -51.92 67.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 1.75 109.783 -179.894 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.25 -34.05 74.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.229 -0.919 . . . . 1.0700000000000001 109.058 179.935 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.59 -51.18 70.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.428 -0.795 . . . . 1.21 109.482 179.755 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.66 81.08 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.356 -0.84 . . . . 1.6899999999999999 109.773 -179.742 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.74 84.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 1.0600000000000001 109.993 -179.568 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.0 mt -61.5 -45.49 93.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 1.0800000000000001 109.829 -179.661 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.43 -35.33 75.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 1.9299999999999999 109.731 179.913 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.84 -47.41 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 1.1399999999999999 109.715 -179.731 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.69 -41.42 97.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 2.1899999999999999 108.994 179.929 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -34.45 68.38 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 109.506 179.627 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.45 -41.47 89.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 1.3100000000000001 109.271 -179.79 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.11 1.45 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.818 . . . . 1.3999999999999999 109.622 179.853 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -77.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.153 -0.967 . . . . 1.5700000000000001 109.797 -179.978 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.43 -0.3 37.59 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.256 -1.138 . . . . 1.53 110.256 -179.667 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 4.9 tttt -85.21 124.48 31.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.074 -1.251 . . . . 4.5800000000000001 109.276 179.876 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.46 106.57 0.61 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 109.553 -179.844 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.7 Cg_exo -60.37 144.58 99.51 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.958 1.772 . . . . 6.0499999999999998 110.242 179.932 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 CA-C-O 118.024 -1.431 . . . . 7.2000000000000002 109.552 -179.999 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.354 0.597 . . . . 9.2200000000000006 109.434 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 319' ' ' LYS . 5.0 mtmt 61.92 144.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.132 -0.98 . . . . 8.5099999999999998 109.251 179.981 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.535 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 0.7 OUTLIER 57.61 96.91 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.204 -0.935 . . . . 7.4199999999999999 109.296 -179.872 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.85 89.68 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.139 1.893 . . . . 5.0499999999999998 110.525 -179.662 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' C' ' 321' ' ' LYS . 4.1 mm? -80.95 4.71 18.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.947 . . . . 5.1399999999999997 109.59 179.57 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.76 -166.46 0.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 2.8500000000000001 109.4 -179.913 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.6 164.99 44.86 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.456 -1.457 . . . . 1.27 109.456 -179.834 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.77 139.8 55.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -1.11 . . . . 2.1099999999999999 109.634 -179.95 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.25 159.44 15.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.237 -0.914 . . . . 1.01 109.453 179.904 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.491 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.1 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.57999999999999996 109.524 -179.939 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 6.0 p -153.81 159.62 41.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 1.1599999999999999 109.539 -179.851 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.4 tp -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 1.1699999999999999 109.446 -179.864 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.06 128.26 35.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.231 -0.918 . . . . 1.8100000000000001 109.773 -179.926 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.449 HD12 ' CG ' ' C' ' 341' ' ' PHE . 29.4 mt -124.27 115.76 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 1.1299999999999999 109.598 179.748 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.508 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -73.71 150.66 41.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 2.8199999999999998 109.621 179.953 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.508 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 95.01 133.71 7.35 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.731 -1.348 . . . . 0.45000000000000001 109.731 179.719 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.2 ttt180 -76.77 -58.18 3.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -1.161 . . . . 3.0800000000000001 109.399 179.922 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.79 -42.78 89.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 2.54 109.369 179.839 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.9 OUTLIER -60.43 -46.54 89.64 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.373 -0.829 . . . . 4.1100000000000003 109.451 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.5 t80 -55.79 -51.33 67.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.56999999999999995 109.606 179.958 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.45 20.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.6599999999999999 109.781 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.95 -49.73 73.58 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.131 -0.981 . . . . 1.29 109.794 -179.741 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.449 ' CG ' HD12 ' C' ' 332' ' ' ILE . 24.9 m-85 -60.95 -54.85 39.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.147 -0.97 . . . . 0.40000000000000002 109.169 179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.19 -34.54 23.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.382 -0.824 . . . . 3.8500000000000001 109.591 179.778 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.93 -51.85 67.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 1.78 109.758 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 97.4 mt -61.21 -34.13 74.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 1.1699999999999999 109.153 179.814 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.56 -51.16 71.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.49 -0.756 . . . . 1.2 109.535 179.71 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -35.65 81.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.844 . . . . 2.1200000000000001 109.781 -179.733 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.61 -47.8 84.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 1.0700000000000001 109.996 -179.675 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 57.5 mt -61.52 -45.46 94.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.881 . . . . 1.1399999999999999 109.768 -179.544 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.48 -35.39 75.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.213 -0.929 . . . . 2.0899999999999999 109.571 179.986 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.521 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 13.4 tp -64.85 -47.43 77.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 1.3799999999999999 109.71 -179.681 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.67 -41.4 97.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.897 . . . . 2.6800000000000002 108.984 179.938 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.499 -0.75 . . . . 1.3400000000000001 109.588 179.655 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.47 -41.36 89.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 1.3 109.378 -179.936 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.13 1.43 31.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.8 109.618 179.825 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.22 -77.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.47 109.732 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.3 -0.42 37.12 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.278 -1.129 . . . . 1.6599999999999999 110.278 -179.691 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 4.9 tttt -85.06 124.4 31.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.988 -1.301 . . . . 4.7800000000000002 109.273 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.38 106.61 0.61 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.211 -0.93 . . . . 6.1900000000000004 109.553 -179.934 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.7 Cg_exo -60.43 144.55 99.52 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.085 1.856 . . . . 6.1799999999999997 110.242 179.945 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.9 -1.5 . . . . 6.9000000000000004 109.482 -179.95 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' D' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.42 -0.585 . . . . 7.6900000000000004 109.42 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' D' ' 319' ' ' LYS . 5.0 mtmt 61.82 144.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.193 -0.942 . . . . 7.4500000000000002 109.306 -179.9 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 0.7 OUTLIER 57.63 97.0 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 6.8399999999999999 109.159 -179.864 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.83 89.7 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.126 1.884 . . . . 5.1200000000000001 110.605 -179.837 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' D' ' 321' ' ' LYS . 4.1 mm? -81.0 4.71 18.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.178 -0.951 . . . . 4.6600000000000001 109.644 179.621 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -78.67 -166.43 0.88 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.27 -0.894 . . . . 2.46 109.473 -179.906 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 164.96 44.92 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 1.0800000000000001 109.536 -179.93 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.76 139.7 55.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.274 -1.133 . . . . 1.6699999999999999 109.65 -179.924 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.25 159.51 15.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 1.01 109.284 -179.95 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.9 m-85 -139.49 -169.8 2.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.322 -0.861 . . . . 0.63 109.517 -179.94 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 5.8 p -153.94 159.63 41.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 1.1299999999999999 109.428 -179.774 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.4 tp -149.04 130.01 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.187 -0.946 . . . . 1.1000000000000001 109.446 -179.969 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.15 128.24 35.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.177 -0.952 . . . . 1.3700000000000001 109.704 -179.816 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CG ' ' D' ' 341' ' ' PHE . 29.2 mt -124.18 115.85 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 1.1499999999999999 109.537 179.8 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -73.81 150.68 40.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 2.77 109.639 179.857 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.05 133.73 7.37 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.789 -1.324 . . . . 0.42999999999999999 109.789 179.798 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.0 ttt180 -76.92 -58.01 3.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -1.123 . . . . 3.1200000000000001 109.453 179.807 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.93 -42.73 90.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 2.2200000000000002 109.429 179.793 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.514 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.9 OUTLIER -60.34 -46.69 89.01 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.335 -0.853 . . . . 3.5 109.385 -179.851 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.3 t80 -55.76 -51.37 67.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.5 109.555 -179.961 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.85 -34.52 20.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.378 -0.826 . . . . 1.6899999999999999 109.745 -179.859 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.99 -49.64 73.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 109.766 -179.612 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.448 ' CG ' HD12 ' D' ' 332' ' ' ILE . 24.7 m-85 -60.93 -54.87 39.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.32000000000000001 109.167 179.938 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.18 -34.59 23.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.445 -0.784 . . . . 2.96 109.555 179.824 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.91 67.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 1.75 109.757 -179.863 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.24 -34.02 74.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 1.0800000000000001 109.1 179.899 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.7 -51.11 71.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 1.22 109.509 179.751 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.323 -0.861 . . . . 1.73 109.743 -179.763 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.68 -47.76 84.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 1.0700000000000001 110.03 -179.598 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 57.2 mt -61.46 -45.47 94.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 1.1100000000000001 109.77 -179.63 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -35.26 75.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.658 179.969 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 13.6 tp -64.88 -47.32 78.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 1.1699999999999999 109.815 -179.838 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.6 -41.51 97.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 2.1499999999999999 109.007 179.89 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.17 -34.33 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.536 -0.727 . . . . 1.4399999999999999 109.572 179.683 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.35 -41.5 89.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.872 . . . . 1.3 109.39 -179.92 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.08 1.42 31.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.381 -0.824 . . . . 1.3999999999999999 109.67 179.83 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -77.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.936 . . . . 1.6000000000000001 109.735 -179.918 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.34 -0.38 37.22 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.219 -1.152 . . . . 1.5 110.219 -179.66 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 4.8 tttt -85.15 124.4 31.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.021 -1.282 . . . . 4.5499999999999998 109.319 179.901 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 106.54 0.6 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 5.6699999999999999 109.584 -179.824 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.7 Cg_exo -60.34 144.56 99.51 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.993 1.796 . . . . 6.1200000000000001 110.198 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.929 -1.484 . . . . 7.2699999999999996 109.515 179.954 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 77.0 mttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.55 -0.537 . . . . 7.6600000000000001 109.55 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.43 173.84 0.11 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 7.5099999999999998 109.498 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.51 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.2 OUTLIER 57.17 60.53 6.98 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.296 -0.877 . . . . 6.8099999999999996 109.596 179.962 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.2 Cg_exo -61.53 89.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.045 1.83 . . . . 5.1500000000000004 110.163 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.95 22.67 1.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.263 -0.898 . . . . 4.7000000000000002 110.001 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.58 -90.4 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.299 -0.876 . . . . 2.48 109.905 -179.554 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.42 139.51 32.16 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.934 -1.266 . . . . 1.0800000000000001 109.934 -179.472 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.58 149.82 37.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.493 -1.004 . . . . 1.7 109.451 179.597 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.415 ' OH ' ' HG2' ' A' ' 322' ' ' PRO . 8.9 m-85 -94.89 149.44 21.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.895 . . . . 1.04 109.506 179.846 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.4 m-85 -139.12 -168.98 2.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 0.65000000000000002 109.772 -179.783 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 26.2 p -152.91 156.7 39.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.265 -0.897 . . . . 1.1399999999999999 109.348 -179.721 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.05 136.21 19.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.15 -0.969 . . . . 1.0900000000000001 109.634 -179.552 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 40.5 tt0 -86.53 132.19 33.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.822 . . . . 1.3700000000000001 109.149 179.625 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.83 120.34 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 1.1499999999999999 109.591 -179.896 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.91 152.37 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.337 -0.852 . . . . 2.79 109.51 179.869 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.06 2.65 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.776 -1.33 . . . . 0.45000000000000001 109.776 179.657 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttm180 -81.94 -50.1 9.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -1.16 . . . . 3.1600000000000001 109.452 179.787 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.58 -46.0 87.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.402 -0.811 . . . . 2.2200000000000002 109.45 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.99 -41.26 96.13 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.314 -0.866 . . . . 3.54 109.385 -179.955 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -55.32 -56.51 19.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.535 -0.728 . . . . 0.5 109.721 -179.938 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.44 -35.43 39.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.828 . . . . 1.6599999999999999 110.027 -179.782 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.9 -47.22 84.21 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.245 -0.91 . . . . 1.1499999999999999 109.871 -179.584 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.58 -49.15 77.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 0.34000000000000002 109.24 -179.996 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.37 -40.32 58.93 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.9399999999999999 109.65 179.783 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.63 -42.81 97.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.74 109.831 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.08 -45.61 92.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -0.883 . . . . 1.0700000000000001 109.542 -179.753 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.87 -46.2 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.34 -0.85 . . . . 1.22 109.795 -179.953 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -35.97 80.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 1.72 109.789 -179.628 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.09 -53.02 63.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.696 -179.784 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.58 -36.3 80.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 1.0800000000000001 109.258 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.323 -0.86 . . . . 1.9099999999999999 109.535 179.914 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.29 -43.94 96.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 1.1499999999999999 109.454 -179.928 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -61.77 -47.55 84.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.346 -0.846 . . . . 2.1400000000000001 109.033 179.844 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -28.6 59.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.642 -0.661 . . . . 1.4299999999999999 109.465 179.614 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 357' ' ' LYS . . . -65.17 -46.29 81.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 1.3 109.488 -179.779 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.82 -5.6 58.35 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.4199999999999999 109.52 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.62 -78.11 0.08 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.131 -0.98 . . . . 1.5800000000000001 109.874 -179.895 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.63 7.92 17.08 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.67 -0.972 . . . . 1.54 110.67 -179.493 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 353' ' ' ALA . 1.0 OUTLIER -84.3 -85.68 0.13 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.801 -1.411 . . . . 4.5499999999999998 109.321 179.985 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -48.97 107.52 0.78 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.963 . . . . 5.71 109.337 179.947 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.3 Cg_exo -60.7 124.39 14.93 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 121.99 1.793 . . . . 6.0899999999999999 110.388 -179.871 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.047 -1.418 . . . . 7.2400000000000002 109.663 179.87 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 76.8 mttt . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.223 0.535 . . . . 7.6699999999999999 109.594 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 51.8 mttm 61.18 173.88 0.11 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.133 -0.979 . . . . 7.46 109.537 -179.984 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.2 OUTLIER 57.17 60.62 6.95 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.858 . . . . 6.79 109.528 -179.949 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.2 Cg_exo -61.55 89.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.996 1.797 . . . . 5.1500000000000004 110.228 179.89 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.9 22.54 1.13 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.815 . . . . 4.6600000000000001 110.039 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -78.56 -90.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 2.4700000000000002 109.893 -179.415 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 139.4 31.7 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.974 -1.25 . . . . 1.0600000000000001 109.974 -179.504 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.55 149.87 37.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.536 -0.979 . . . . 1.6100000000000001 109.434 179.708 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' OH ' ' HG2' ' B' ' 322' ' ' PRO . 8.8 m-85 -94.98 149.37 21.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.96999999999999997 109.484 179.814 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.4 m-85 -138.95 -169.01 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.281 -0.887 . . . . 0.59999999999999998 109.774 -179.727 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 26.3 p -152.82 156.9 39.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 1.1000000000000001 109.349 -179.818 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.21 136.11 19.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 1.1000000000000001 109.705 -179.617 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 40.7 tt0 -86.45 132.25 33.98 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.378 -0.827 . . . . 1.3600000000000001 109.117 179.661 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.6 mt -123.9 120.35 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.967 . . . . 1.1699999999999999 109.558 -179.895 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.78 152.38 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.303 -0.873 . . . . 2.79 109.538 179.797 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.47 137.09 2.6 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.881 -1.288 . . . . 0.47999999999999998 109.881 179.626 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.402 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttm180 -81.93 -50.04 9.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -1.142 . . . . 3.2200000000000002 109.457 179.896 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.63 -45.82 88.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 2.21 109.515 179.913 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -61.07 -41.36 96.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.324 -0.86 . . . . 3.5499999999999998 109.39 179.963 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -55.17 -56.64 17.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.54 -0.725 . . . . 0.52000000000000002 109.711 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.46 -35.42 39.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.388 -0.82 . . . . 1.6799999999999999 110.005 -179.668 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.79 -47.32 83.97 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.007 -1.058 . . . . 1.1499999999999999 109.834 -179.596 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.64 -49.01 78.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.33000000000000002 109.213 -179.871 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -51.53 -40.17 59.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 3.02 109.59 179.858 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.74 -42.75 97.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.75 109.838 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.1 -45.54 93.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.576 -179.773 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -58.03 -46.08 85.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 1.21 109.674 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.07 81.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.331 -0.856 . . . . 1.6899999999999999 109.768 -179.632 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.07 62.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 1.0600000000000001 109.642 -179.729 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.43 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 17.3 mt -61.58 -36.15 79.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 1.0800000000000001 109.399 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.23 83.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.916 . . . . 1.9299999999999999 109.453 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.26 -43.84 96.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 1.1399999999999999 109.542 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.8 -47.46 85.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -0.818 . . . . 2.1899999999999999 109.055 179.762 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.58 -28.65 60.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.524 -0.735 . . . . 1.4299999999999999 109.376 179.687 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' B' ' 357' ' ' LYS . . . -65.09 -46.41 81.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.394 -0.816 . . . . 1.3100000000000001 109.439 -179.755 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.79 -5.59 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 1.3999999999999999 109.584 179.793 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.58 -78.16 0.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 1.5700000000000001 109.868 -179.947 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.7 8.03 16.86 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.744 -0.943 . . . . 1.53 110.744 -179.476 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' B' ' 353' ' ' ALA . 1.0 OUTLIER -84.26 -85.61 0.13 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.859 -1.377 . . . . 4.5800000000000001 109.427 179.877 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -48.95 107.53 0.79 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 5.6799999999999997 109.297 179.871 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.4 Cg_exo -60.85 124.39 14.86 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.954 1.769 . . . . 6.0499999999999998 110.433 -179.835 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.973 -1.46 . . . . 7.2000000000000002 109.58 179.924 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.238 0.542 . . . . 9.2200000000000006 109.607 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.26 173.8 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 8.5099999999999998 109.673 179.998 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.512 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.2 OUTLIER 57.14 60.63 6.97 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.86 . . . . 7.4199999999999999 109.527 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.1 Cg_exo -61.4 89.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.054 1.836 . . . . 5.0499999999999998 110.209 179.883 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.97 22.58 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.264 -0.898 . . . . 5.1399999999999997 110.012 179.824 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -78.56 -90.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 2.8500000000000001 110.027 -179.572 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 139.51 31.88 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.956 -1.258 . . . . 1.27 109.956 -179.565 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.56 149.82 37.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.546 -0.973 . . . . 2.1099999999999999 109.393 179.709 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' OH ' ' HG2' ' C' ' 322' ' ' PRO . 9.1 m-85 -94.93 149.41 21.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 1.01 109.401 179.862 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.4 m-85 -139.0 -168.93 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.57999999999999996 109.728 -179.8 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -152.82 157.04 40.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 1.1599999999999999 109.302 -179.766 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.42 136.19 19.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 1.1699999999999999 109.588 -179.597 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 40.5 tt0 -86.58 132.2 33.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.089 179.723 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.78 120.22 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 1.1299999999999999 109.716 -179.975 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.75 152.4 40.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 2.8199999999999998 109.544 179.854 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.5 137.11 2.62 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.855 -1.298 . . . . 0.45000000000000001 109.855 179.675 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttm180 -82.0 -50.11 9.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -1.154 . . . . 3.0800000000000001 109.362 179.95 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.53 -46.15 87.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 2.54 109.356 179.986 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.9 -41.24 95.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 4.1100000000000003 109.333 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -55.37 -56.5 19.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.56999999999999995 109.708 -179.942 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.49 -35.49 40.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 1.6599999999999999 109.957 -179.748 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.73 -47.37 83.88 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.142 -0.974 . . . . 1.29 109.89 -179.599 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.41 -49.16 77.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.40000000000000002 109.312 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.47 -40.29 59.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.475 -0.766 . . . . 3.8500000000000001 109.65 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.5 -42.89 97.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.187 -0.945 . . . . 1.78 109.906 -179.764 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.02 -45.56 93.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 109.624 -179.784 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.95 -46.19 85.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.822 . . . . 1.2 109.787 -179.949 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -36.1 80.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 2.1200000000000001 109.877 -179.758 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -59.06 -53.04 62.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.669 -179.697 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.68 -36.12 79.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 1.1399999999999999 109.361 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.31 -38.14 82.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 2.0899999999999999 109.551 179.826 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.24 -43.93 96.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 1.3799999999999999 109.545 -179.976 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.75 -47.48 85.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 2.6800000000000002 109.068 179.837 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.45 -28.83 60.66 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.566 -0.709 . . . . 1.3400000000000001 109.355 179.636 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' C' ' 357' ' ' LYS . . . -64.91 -46.51 81.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 1.3 109.491 -179.734 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.75 -5.57 58.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 1.8 109.558 179.839 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -77.96 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 1.47 109.911 -179.894 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.94 8.11 17.53 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.605 -0.998 . . . . 1.6599999999999999 110.605 -179.457 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' C' ' 353' ' ' ALA . 1.0 OUTLIER -84.23 -85.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.917 -1.343 . . . . 4.7800000000000002 109.355 179.831 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.86 107.56 0.79 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.177 -0.952 . . . . 6.1900000000000004 109.378 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.4 Cg_exo -60.78 124.42 14.94 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 121.986 1.791 . . . . 6.1799999999999997 110.379 -179.829 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 117.971 -1.461 . . . . 6.9000000000000004 109.533 179.839 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 77.0 mttt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.241 0.544 . . . . 7.6900000000000004 109.61 . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.31 173.79 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.198 -0.939 . . . . 7.4500000000000002 109.576 179.982 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.2 OUTLIER 57.11 60.68 6.97 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.341 -0.849 . . . . 6.8399999999999999 109.51 179.957 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -61.45 89.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.016 1.811 . . . . 5.1200000000000001 110.239 179.85 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.98 22.63 1.14 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.329 -0.857 . . . . 4.6600000000000001 109.988 179.839 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.67 -90.36 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.196 -0.94 . . . . 2.46 109.881 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.43 139.45 32.04 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.001 -1.24 . . . . 1.0800000000000001 110.001 -179.566 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.6 149.86 37.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.448 -1.03 . . . . 1.6699999999999999 109.386 179.644 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.419 ' OH ' ' HG2' ' D' ' 322' ' ' PRO . 8.9 m-85 -94.97 149.49 21.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.962 . . . . 1.01 109.435 179.833 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' B' ' 331' ' ' GLN . 69.5 m-85 -139.08 -169.04 2.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.63 109.709 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 26.1 p -152.71 157.02 40.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 1.1299999999999999 109.347 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.3 136.15 19.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.1000000000000001 109.601 -179.579 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 40.6 tt0 -86.55 132.14 33.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.378 -0.826 . . . . 1.3700000000000001 109.204 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.84 120.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 1.1499999999999999 109.611 -179.874 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.77 152.33 40.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.45 -0.781 . . . . 2.77 109.649 179.804 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.16 2.68 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.803 -1.319 . . . . 0.42999999999999999 109.803 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.433 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.8 ttm180 -82.04 -50.06 9.52 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -1.096 . . . . 3.1200000000000001 109.39 179.929 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.55 -46.11 87.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 2.2200000000000002 109.406 179.921 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 4.0 ttm180 -60.94 -41.29 95.98 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.296 -0.877 . . . . 3.5 109.407 -179.913 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -55.28 -56.54 18.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.498 -0.751 . . . . 0.5 109.71 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.53 -35.42 40.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 1.6899999999999999 109.982 -179.714 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.76 -47.34 83.95 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.136 -0.977 . . . . 1.1399999999999999 109.875 -179.654 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -49.0 78.36 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.271 -0.893 . . . . 0.32000000000000001 109.296 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.51 -40.22 59.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 2.96 109.599 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.69 -42.73 97.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 1.75 109.896 -179.682 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.0 -45.68 92.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.0800000000000001 109.555 -179.848 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.93 -46.18 85.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.391 -0.818 . . . . 1.22 109.727 -179.858 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -36.13 81.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 1.73 109.862 -179.688 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.95 -53.05 62.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 1.0700000000000001 109.688 -179.75 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.66 -36.1 79.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 1.1100000000000001 109.368 -179.974 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.19 82.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.326 -0.859 . . . . 1.9099999999999999 109.464 179.823 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.18 -43.89 96.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 1.1699999999999999 109.565 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.95 -47.36 85.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.383 -0.823 . . . . 2.1499999999999999 109.072 179.862 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.46 -28.7 60.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.626 -0.671 . . . . 1.4399999999999999 109.442 179.517 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' D' ' 357' ' ' LYS . . . -65.09 -46.34 81.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 1.3 109.475 -179.722 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.86 -5.59 58.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 1.3999999999999999 109.489 179.868 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -78.02 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 1.6000000000000001 109.919 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.83 8.02 17.55 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.613 -0.995 . . . . 1.5 110.613 -179.445 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' D' ' 353' ' ' ALA . 1.0 OUTLIER -84.24 -85.74 0.13 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.81 -1.406 . . . . 4.5499999999999998 109.303 179.936 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.9 107.59 0.8 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 5.6699999999999999 109.361 179.933 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.5 Cg_exo -60.92 124.37 14.81 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 121.984 1.789 . . . . 6.1200000000000001 110.331 -179.748 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 118.033 -1.426 . . . . 7.2699999999999996 109.562 179.816 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 319' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.22 0.533 . . . . 7.6600000000000001 109.624 . . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 319' ' ' LYS . 9.3 ptmt 40.84 84.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.369 -0.832 . . . . 7.5099999999999998 109.788 -179.891 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.83 79.5 0.33 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 6.8099999999999996 109.076 -179.926 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.53 -3.12 8.5 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.352 2.035 . . . . 5.1500000000000004 111.008 -179.386 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.4 98.69 8.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.858 -1.151 . . . . 4.7000000000000002 109.542 179.829 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.88 -107.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.85 . . . . 2.48 109.421 179.816 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.11 161.46 53.17 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.533 -1.427 . . . . 1.0800000000000001 109.533 179.78 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.9 138.16 57.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -1.106 . . . . 1.7 109.384 179.935 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 8.3 m-85 -93.72 158.49 15.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 1.04 109.527 -179.88 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.0 m-85 -138.24 -166.51 2.0 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.203 -0.935 . . . . 0.65000000000000002 109.601 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.95 156.74 40.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 1.1399999999999999 109.498 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.98 132.54 16.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.926 . . . . 1.0900000000000001 109.585 -179.541 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 40.4 tt0 -86.64 127.24 34.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 1.3700000000000001 109.414 179.97 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.8 117.43 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 1.1499999999999999 109.622 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.51 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.0 OUTLIER -73.48 154.3 39.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 2.79 109.437 179.986 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.56 128.26 3.03 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.744 -1.342 . . . . 0.45000000000000001 109.744 179.717 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -77.07 -52.41 9.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.308 -1.113 . . . . 3.1600000000000001 109.261 179.807 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -59.41 -47.1 86.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.86 . . . . 2.2200000000000002 109.479 179.877 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.94 -42.66 98.6 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.296 -0.877 . . . . 3.54 109.564 -179.903 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.04 -55.94 25.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.355 -0.841 . . . . 0.5 109.659 -179.88 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.62 -34.42 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.882 . . . . 1.6599999999999999 109.848 -179.706 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.4 -49.08 75.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.145 -0.972 . . . . 1.1499999999999999 110.088 -179.646 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.18 -53.24 59.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.306 -0.872 . . . . 0.34000000000000002 109.299 -179.781 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.65 41.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.396 -0.815 . . . . 2.9399999999999999 109.717 179.745 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.9 -44.97 96.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.74 109.864 -179.797 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.41 97.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 1.0700000000000001 109.403 -179.887 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.01 -47.83 81.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.302 -0.874 . . . . 1.22 109.549 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -36.28 80.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.72 109.92 -179.703 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.82 88.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 1.0700000000000001 109.971 -179.731 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.91 -47.75 83.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 1.0800000000000001 109.817 -179.558 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.14 -34.66 72.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.9099999999999999 109.769 -179.782 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' B' ' 351' ' ' LYS . 1.1 tt -64.86 -47.13 79.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.272 -0.892 . . . . 1.1499999999999999 109.561 -179.861 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -61.18 -39.1 88.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.363 -0.836 . . . . 2.1400000000000001 109.185 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.404 ' O ' ' HB1' ' A' ' 355' ' ' ALA . 44.6 m-20 -56.57 -40.39 75.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.443 -0.786 . . . . 1.4299999999999999 109.557 179.698 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.87 68.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 1.3 109.516 -179.954 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' B' ' 350' ' ' LEU . 8.9 mt-30 -82.33 -5.11 58.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 1.4199999999999999 109.718 -179.854 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 352' ' ' ASP . . . -70.55 -81.19 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 1.5800000000000001 109.59 -179.884 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.47 67.83 3.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.823 -1.311 . . . . 1.54 109.823 -179.817 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -87.04 16.05 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.151 -1.206 . . . . 4.5499999999999998 109.576 179.976 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.05 155.9 1.48 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.146 -0.971 . . . . 5.71 109.496 -179.908 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.19 -167.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.234 1.956 . . . . 6.0899999999999999 110.326 179.926 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.987 -1.451 . . . . 7.2400000000000002 109.571 179.996 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.22 0.533 . . . . 7.6699999999999999 109.616 . . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 9.2 ptmt 40.98 84.79 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 7.46 109.75 -179.917 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.69 79.55 0.33 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 6.79 109.068 -179.866 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.6 -3.0 8.36 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.326 2.017 . . . . 5.1500000000000004 111.081 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.49 98.74 9.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.887 -1.133 . . . . 4.6600000000000001 109.483 179.779 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.9 -107.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 2.4700000000000002 109.38 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 161.47 53.37 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.409 -1.476 . . . . 1.0600000000000001 109.409 179.912 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.88 138.13 57.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -1.19 . . . . 1.6100000000000001 109.396 179.976 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.5 15.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.885 . . . . 0.96999999999999997 109.567 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.54 2.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.59999999999999998 109.564 -179.791 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 13.4 p -151.82 156.74 40.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 1.1000000000000001 109.522 -179.687 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.3 tp -148.97 132.56 16.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 1.1000000000000001 109.595 -179.628 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 40.4 tt0 -86.59 127.33 34.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.38 -0.825 . . . . 1.3600000000000001 109.413 179.896 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 117.51 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.166 -0.959 . . . . 1.1699999999999999 109.548 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.514 ' NH1' ' HG2' ' B' ' 333' ' ' ARG . 1.0 OUTLIER -73.52 154.27 39.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 2.79 109.523 179.925 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.48 128.31 3.02 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.768 -1.333 . . . . 0.47999999999999998 109.768 179.762 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -77.06 -52.34 9.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -1.098 . . . . 3.2200000000000002 109.256 179.875 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.47 -47.2 86.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 2.21 109.42 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.83 -42.69 98.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.279 -0.888 . . . . 3.5499999999999998 109.591 -179.933 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -54.92 -56.06 23.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -0.83 . . . . 0.52000000000000002 109.618 -179.898 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.57 -34.61 26.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 1.6799999999999999 109.736 -179.619 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.24 -49.12 75.39 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.211 -0.93 . . . . 1.1499999999999999 110.132 -179.586 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.07 -53.37 57.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.33000000000000002 109.279 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.03 -36.82 41.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 3.02 109.524 179.872 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.74 -45.04 95.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.978 . . . . 1.75 109.897 -179.743 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.47 97.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 1.0700000000000001 109.348 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -57.99 -47.83 81.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.395 -0.816 . . . . 1.21 109.588 179.911 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -36.41 81.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -0.862 . . . . 1.6899999999999999 109.917 -179.698 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.27 -46.76 88.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 1.0600000000000001 109.915 -179.59 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.98 -47.58 84.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.207 -0.933 . . . . 1.0800000000000001 109.888 -179.563 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.22 -34.71 72.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.885 . . . . 1.9299999999999999 109.713 -179.84 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' B' ' 350' ' ' LEU . 1.1 tt -64.83 -47.1 79.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 1.1399999999999999 109.578 -179.822 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.457 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 18.8 ttmm -61.21 -39.14 89.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.495 -0.753 . . . . 2.1899999999999999 109.089 -179.999 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.41 ' O ' ' HB1' ' B' ' 355' ' ' ALA . 44.3 m-20 -56.64 -40.42 75.38 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.431 -0.793 . . . . 1.4299999999999999 109.433 179.809 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.96 69.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 1.3100000000000001 109.541 -179.971 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -82.3 -5.09 58.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.173 -0.954 . . . . 1.3999999999999999 109.779 -179.886 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' B' ' 352' ' ' ASP . . . -70.53 -81.23 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 1.5700000000000001 109.581 -179.895 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.45 67.79 3.67 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.793 -1.323 . . . . 1.53 109.793 -179.774 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' B' ' 357' ' ' LYS . 15.2 tttt -87.05 16.18 5.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.114 -1.227 . . . . 4.5800000000000001 109.691 179.938 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -50.05 155.9 1.48 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 5.6799999999999997 109.621 179.962 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 -167.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.191 1.928 . . . . 6.0499999999999998 110.336 -179.978 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 CA-C-O 117.908 -1.495 . . . . 7.2000000000000002 109.493 -179.999 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.176 0.513 . . . . 9.2200000000000006 109.659 . . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' C' ' 319' ' ' LYS . 9.3 ptmt 40.86 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.463 -0.773 . . . . 8.5099999999999998 109.779 -179.908 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.72 79.52 0.33 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 7.4199999999999999 109.188 -179.847 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.5 -3.08 8.39 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.251 1.967 . . . . 5.0499999999999998 111.074 -179.392 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 41.4 mt -82.57 98.93 9.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.974 -1.079 . . . . 5.1399999999999997 109.363 179.973 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.96 -107.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 2.8500000000000001 109.393 179.776 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.26 161.57 53.31 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.39 -1.484 . . . . 1.27 109.39 179.868 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.06 138.15 57.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.196 -1.179 . . . . 2.1099999999999999 109.354 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.45 15.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.908 . . . . 1.01 109.49 -179.859 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.5 2.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.57999999999999996 109.599 -179.794 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.85 156.74 40.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 1.1599999999999999 109.528 -179.68 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.92 132.66 16.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.908 . . . . 1.1699999999999999 109.6 -179.652 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 40.4 tt0 -86.7 127.33 34.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.8100000000000001 109.387 179.915 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.86 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.217 -0.927 . . . . 1.1299999999999999 109.578 -179.964 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 1.0 OUTLIER -73.43 154.25 40.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.86 . . . . 2.8199999999999998 109.541 179.898 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.6 128.31 3.06 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.721 -1.352 . . . . 0.45000000000000001 109.721 179.706 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -77.17 -52.38 9.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.253 -1.145 . . . . 3.0800000000000001 109.28 179.738 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.4 -47.15 86.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 2.54 109.415 179.819 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.85 -42.77 98.46 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.344 -0.848 . . . . 4.1100000000000003 109.511 -179.867 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.93 -56.11 23.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.381 -0.825 . . . . 0.56999999999999995 109.625 -179.809 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.43 -34.57 25.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 1.6599999999999999 109.868 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.32 -49.07 75.4 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.267 -0.895 . . . . 1.29 110.121 -179.656 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.13 -53.37 57.84 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.28 -0.887 . . . . 0.40000000000000002 109.286 -179.819 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.366 -0.834 . . . . 3.8500000000000001 109.618 179.836 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.85 -45.07 95.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 1.78 109.794 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.9 mt -61.8 -41.35 97.63 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.246 -0.908 . . . . 1.1699999999999999 109.389 -179.812 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.03 -47.79 82.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.4 -0.812 . . . . 1.2 109.622 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.43 81.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 2.1200000000000001 109.822 -179.717 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.78 88.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 1.0700000000000001 110.04 -179.625 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.92 -47.71 83.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 1.1399999999999999 109.889 -179.665 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.13 -34.72 72.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 2.0899999999999999 109.722 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.467 HD12 ' NE2' ' D' ' 354' ' ' GLN . 1.1 tt -64.81 -47.18 78.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 1.3799999999999999 109.584 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 18.8 ttmm -61.13 -39.12 88.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 2.6800000000000002 109.132 -179.936 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.416 ' O ' ' HB1' ' C' ' 355' ' ' ALA . 44.8 m-20 -56.62 -40.4 75.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.376 -0.828 . . . . 1.3400000000000001 109.485 179.743 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -29.75 68.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.352 -0.842 . . . . 1.3 109.543 -179.925 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -82.38 -5.23 58.49 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.282 -0.886 . . . . 1.8 109.732 -179.892 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' C' ' 352' ' ' ASP . . . -70.43 -81.12 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.936 . . . . 1.47 109.633 -179.865 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.55 67.94 3.64 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.85 -1.3 . . . . 1.6599999999999999 109.85 -179.843 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' C' ' 357' ' ' LYS . 15.2 tttt -87.08 16.03 5.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.208 -1.172 . . . . 4.7800000000000002 109.608 -179.965 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -49.97 155.93 1.44 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 6.1900000000000004 109.576 -179.945 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.35 -167.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.181 1.921 . . . . 6.1799999999999997 110.228 -179.981 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 118.01 -1.439 . . . . 6.9000000000000004 109.505 179.974 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.505 ' O ' ' CG ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.623 -0.51 . . . . 7.6900000000000004 109.623 . . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' D' ' 319' ' ' LYS . 9.3 ptmt 40.97 84.68 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.501 -0.75 . . . . 7.4500000000000002 109.771 -179.97 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.88 79.43 0.33 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.885 . . . . 6.8399999999999999 109.091 -179.892 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.64 -2.9 8.25 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.274 1.982 . . . . 5.1200000000000001 111.001 -179.379 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.55 98.73 9.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.883 -1.136 . . . . 4.6600000000000001 109.516 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.88 -107.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 2.46 109.388 179.876 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.2 161.55 53.24 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.467 -1.453 . . . . 1.0800000000000001 109.467 179.815 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.99 138.1 57.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 1.6699999999999999 109.422 179.93 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.3 m-85 -93.68 158.48 15.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 1.01 109.532 -179.894 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.1 m-85 -138.27 -166.51 2.0 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.288 -0.882 . . . . 0.63 109.674 -179.754 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 13.6 p -151.91 156.64 40.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 1.1299999999999999 109.518 -179.713 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.85 132.62 16.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.168 -0.957 . . . . 1.1000000000000001 109.569 -179.602 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 40.5 tt0 -86.63 127.37 34.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.3700000000000001 109.328 179.91 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.88 117.49 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 1.1499999999999999 109.588 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.505 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 1.0 OUTLIER -73.56 154.32 39.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 2.77 109.515 179.921 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.47 128.43 3.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.781 -1.328 . . . . 0.42999999999999999 109.781 179.769 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.516 ' NH1' ' HG2' ' D' ' 335' ' ' ARG . 1.2 ttt-85 -77.16 -52.37 9.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.162 . . . . 3.1200000000000001 109.306 179.792 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.46 -46.97 87.26 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 2.2200000000000002 109.488 179.835 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -61.01 -42.69 98.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 3.5 109.512 -179.89 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -55.01 -55.97 25.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.5 109.63 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -50.57 -34.51 25.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.6899999999999999 109.801 -179.658 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.37 -49.07 75.29 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.192 -0.942 . . . . 1.1399999999999999 110.063 -179.575 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.1 -53.41 57.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.168 -0.958 . . . . 0.32000000000000001 109.263 -179.837 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.69 41.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 2.96 109.555 179.908 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.93 -44.92 96.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.91 . . . . 1.75 109.837 -179.767 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.82 -41.43 97.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 1.0800000000000001 109.372 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.97 -47.84 81.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.22 109.596 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -36.33 81.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 1.73 109.855 -179.686 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.81 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 1.0700000000000001 109.975 -179.679 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.81 -47.65 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 1.1100000000000001 109.918 -179.668 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -59.16 -34.76 72.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 1.9099999999999999 109.703 -179.772 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' C' ' 351' ' ' LYS . 1.1 tt -64.88 -47.0 79.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.289 -0.882 . . . . 1.1699999999999999 109.614 -179.758 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -61.25 -38.96 88.56 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.409 -0.807 . . . . 2.1499999999999999 109.186 179.994 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.415 ' O ' ' HB1' ' D' ' 355' ' ' ALA . 44.8 m-20 -56.54 -40.6 75.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.399 -0.813 . . . . 1.4399999999999999 109.521 179.647 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.78 68.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 1.3 109.662 -179.987 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' C' ' 350' ' ' LEU . 9.0 mt-30 -82.45 -5.07 58.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.3999999999999999 109.703 -179.879 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' D' ' 352' ' ' ASP . . . -70.52 -81.16 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.94 . . . . 1.6000000000000001 109.629 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.41 67.78 3.67 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.865 -1.294 . . . . 1.5 109.865 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' D' ' 357' ' ' LYS . 15.2 tttt -87.12 16.28 5.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.24 -1.153 . . . . 4.5499999999999998 109.649 179.992 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -50.13 155.87 1.53 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.107 -0.996 . . . . 5.6699999999999999 109.561 179.945 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.35 -167.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.159 1.906 . . . . 6.1200000000000001 110.276 -179.941 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 118.072 -1.405 . . . . 7.2699999999999996 109.604 -179.981 . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.299 0.571 . . . . 1.7 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 18.8 m-85 -93.63 157.42 16.19 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.228 -0.92 . . . . 0.61 109.544 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 85.6 m-85 -139.11 -173.14 3.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.316 -0.865 . . . . 0.58 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.7 p -153.4 160.38 42.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.901 . . . . 0.42 109.427 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.05 133.53 18.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.36 109.289 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.65 130.05 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 1.37 109.649 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.3 mt -123.82 110.8 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.47 109.394 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.29 146.01 45.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 2.1 109.52 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.2 127.73 5.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.42 109.772 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.2 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.47 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 22.5 pt-20 -58.05 -43.95 87.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.301 -0.875 . . . . 2.22 109.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 0.5 OUTLIER -59.8 -40.51 88.59 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.357 -0.839 . . . . 2.77 109.651 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' C' ' 329' ' ' THR . 65.0 t80 -55.26 -53.69 52.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.43 109.865 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.69 -36.34 35.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.66 109.992 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.27 -50.78 68.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.95 . . . . 0.44 110.482 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -60.52 -52.25 65.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.29 109.341 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.89 -37.07 41.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.322 -0.861 . . . . 2.44 109.716 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.38 -50.79 72.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.18 -0.95 . . . . 1.74 109.846 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 344' ' ' LEU . 82.1 mt -60.88 -34.54 74.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.907 . . . . 0.3 108.927 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.88 -54.18 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.401 -0.812 . . . . 1.22 109.364 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.57 69.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.347 -0.846 . . . . 1.72 109.769 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.44 -61.04 2.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.27 110.046 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -39.05 85.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.289 -0.882 . . . . 0.29 109.485 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.03 -34.61 73.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 1.91 109.264 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.49 HD22 ' HD3' ' B' ' 351' ' ' LYS . 20.0 tp -64.91 -40.42 95.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.41 109.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.17 -52.54 61.96 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.689 0.756 . . . . 1.56 109.146 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.65 -30.66 63.59 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.662 -0.649 . . . . 1.43 109.841 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.85 91.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.66 109.866 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.884 . . . . 1.18 109.803 -179.816 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.452 -0.573 . . . . 1.61 109.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.56 157.52 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.57 109.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.5 m-85 -139.19 -173.32 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.203 -0.935 . . . . 0.53 109.414 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 39.3 p -153.25 160.42 42.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.38 109.513 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.4 tp -148.02 133.57 18.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.251 -0.905 . . . . 0.36 109.311 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.76 129.91 34.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 1.36 109.644 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.3 mt -123.71 111.06 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.49 109.411 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -73.51 145.93 45.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 2.1 109.417 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.31 127.75 5.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.745 -1.342 . . . . 0.44 109.745 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.2 ttt180 -72.55 -54.99 7.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.29 -1.124 . . . . 2.72 109.426 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 22.6 pt-20 -58.04 -43.79 87.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 2.21 109.564 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 336' ' ' GLU . 0.5 OUTLIER -59.96 -40.43 89.03 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.295 -0.878 . . . . 2.79 109.64 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.0 t80 -55.39 -53.63 53.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.842 . . . . 0.45 109.825 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -50.76 -36.29 35.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 1.68 109.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.25 -50.93 68.25 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.211 -0.93 . . . . 0.43 110.367 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.3 m-85 -60.42 -52.2 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.96 . . . . 0.28 109.411 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.99 -37.07 42.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 2.52 109.611 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.37 -50.85 72.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 1.75 109.814 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' B' ' 344' ' ' LEU . 81.3 mt -60.87 -34.5 74.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.31 108.934 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.3 t-20 -58.86 -54.24 49.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.454 -0.779 . . . . 1.21 109.42 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.391 -0.818 . . . . 1.69 109.821 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.44 -61.0 2.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.146 -0.971 . . . . 0.27 110.04 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.41 -38.95 85.66 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.357 -0.839 . . . . 0.3 109.441 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.12 -34.52 73.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 1.93 109.261 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.0 tp -64.91 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.4 109.096 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.13 -52.65 61.7 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.472 -0.767 . . . . 1.59 109.097 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.56 -30.73 63.47 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.76 -0.587 . . . . 1.43 109.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.79 91.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.65 109.872 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.174 -0.954 . . . . 1.19 109.692 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.433 -0.58 . . . . 2.11 109.433 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 18.7 m-85 -93.64 157.56 16.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.64 109.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 85.8 m-85 -139.24 -173.33 3.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.49 109.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 39.7 p -153.19 160.51 42.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.98 . . . . 0.47 109.461 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -148.12 133.48 18.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.42 109.37 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.69 129.97 34.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.303 -0.873 . . . . 1.81 109.659 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' C' ' 341' ' ' PHE . 42.3 mt -123.77 110.9 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.42 109.445 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.33 145.96 45.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 2.35 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.67 5.49 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.4 ttt180 -72.41 -54.99 7.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -1.134 . . . . 2.59 109.527 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 22.5 pt-20 -58.11 -43.93 87.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 2.54 109.517 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' C' ' 336' ' ' GLU . 0.5 OUTLIER -59.87 -40.37 88.42 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.212 -0.93 . . . . 3.39 109.621 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.0 t80 -55.4 -53.69 53.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.47 109.815 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.6 -36.29 34.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 1.66 110.071 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.38 -50.91 68.05 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.176 -0.952 . . . . 0.61 110.381 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -60.44 -52.31 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.33 109.288 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -50.89 -36.97 40.93 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.438 -0.789 . . . . 3.28 109.783 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.41 -50.76 72.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -1.0 . . . . 1.78 109.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' C' ' 344' ' ' LEU . 81.5 mt -60.95 -34.48 74.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.38 108.937 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.84 -54.16 50.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 1.2 109.536 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.79 -28.47 69.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.436 -0.79 . . . . 2.12 109.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.57 -61.01 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.26 109.934 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.48 -38.89 85.73 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.29 -0.881 . . . . 0.4 109.48 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.97 -34.59 73.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 2.09 109.288 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' C' ' 350' ' ' LEU . 20.0 tp -64.89 -40.45 95.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.75 109.076 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -52.54 61.76 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.641 0.734 . . . . 2.19 109.087 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.59 -30.7 63.5 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.664 -0.647 . . . . 1.34 109.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.78 91.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.72 109.928 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.115 -0.991 . . . . 1.8 109.735 -179.807 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.462 -0.569 . . . . 1.67 109.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 18.6 m-85 -93.57 157.46 16.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 0.61 109.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.0 m-85 -139.12 -173.31 3.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.874 . . . . 0.56 109.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.9 p -153.21 160.38 42.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.215 -0.928 . . . . 0.43 109.535 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.3 tp -147.98 133.6 18.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 0.35 109.377 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.89 . . . . 1.37 109.703 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' D' ' 341' ' ' PHE . 41.6 mt -123.65 110.84 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 0.48 109.46 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.32 145.87 45.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 2.08 109.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.76 5.52 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.3 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -1.092 . . . . 2.64 109.497 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 22.5 pt-20 -58.08 -43.93 87.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.38 -0.825 . . . . 2.22 109.414 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' D' ' 336' ' ' GLU . 0.5 OUTLIER -59.84 -40.39 88.36 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.286 -0.884 . . . . 2.74 109.673 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.4 -53.73 52.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.297 -0.877 . . . . 0.43 109.834 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.54 -36.31 33.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.69 110.133 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -63.39 -50.8 68.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.1 -1.0 . . . . 0.43 110.444 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.49 -52.2 66.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.988 -1.07 . . . . 0.27 109.314 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.06 -36.99 42.89 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.406 -0.808 . . . . 2.45 109.67 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.31 -50.78 72.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 1.75 109.797 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 344' ' ' LEU . 81.2 mt -60.99 -34.53 74.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.31 108.876 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.477 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.3 t-20 -58.9 -54.18 50.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.414 -0.804 . . . . 1.22 109.373 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.84 -28.52 69.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 1.73 109.78 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -61.08 2.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.28 109.985 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.2 mt -60.34 -38.93 85.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.292 -0.88 . . . . 0.31 109.5 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.07 -34.53 73.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.277 -0.89 . . . . 1.91 109.28 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.436 ' HA ' HD12 ' D' ' 350' ' ' LEU . 20.0 tp -64.92 -40.49 95.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.781 . . . . 0.43 109.06 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.15 -52.58 61.9 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.501 -0.749 . . . . 1.57 109.161 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.53 -30.7 63.37 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.706 -0.622 . . . . 1.44 109.946 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.85 91.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.64 109.901 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.964 . . . . 1.21 109.698 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.454 -0.573 . . . . 1.7 109.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.76 152.15 19.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.61 109.405 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.1 m-85 -137.73 -168.29 2.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.58 109.486 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 328' ' ' PHE . 10.9 p -153.47 155.18 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.42 109.252 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.81 133.01 16.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.091 -1.005 . . . . 0.36 109.754 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 7.2 tt0 -85.71 133.02 34.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.883 . . . . 1.37 109.154 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 341' ' ' PHE . 38.9 mt -123.7 114.0 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.47 109.747 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.29 44.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.429 -0.794 . . . . 2.1 109.442 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 98.17 134.05 8.21 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.4 ttm180 -77.02 -60.79 2.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -1.102 . . . . 2.68 109.416 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.97 -38.55 76.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 2.22 109.22 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.86 -44.64 94.03 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.309 -0.869 . . . . 2.77 109.413 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.68 -53.58 54.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.43 109.724 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -50.86 -37.33 42.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.186 -0.946 . . . . 1.66 110.074 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.61 -50.9 67.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.135 -0.978 . . . . 0.44 110.599 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.6 m-85 -60.23 -51.36 69.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.29 109.388 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -50.65 -42.08 56.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.435 -0.79 . . . . 2.44 109.795 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.31 -42.23 95.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.174 -0.954 . . . . 1.74 109.919 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' B' ' 344' ' ' LEU . 49.5 mt -62.2 -45.02 95.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.19 -0.944 . . . . 0.3 109.444 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.9 -47.81 81.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.287 -0.883 . . . . 1.22 109.551 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.16 -32.87 73.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 1.72 109.582 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -52.64 64.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.27 109.745 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.1 -40.29 93.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.359 -0.838 . . . . 0.29 109.477 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.95 -38.22 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 1.91 109.584 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.7 OUTLIER -64.6 -41.72 96.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 0.41 109.231 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.728 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.29 -45.46 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.549 -0.908 . . . . 1.56 108.549 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.94 -29.75 60.63 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.244 -0.65 . . . . 1.43 109.244 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.83 95.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.66 109.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 1.18 109.054 179.58 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.394 -0.595 . . . . 1.61 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -93.79 152.19 19.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.57 109.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.7 m-85 -137.78 -168.38 2.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.953 . . . . 0.53 109.632 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 328' ' ' PHE . 11.1 p -153.38 155.28 36.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.332 -0.855 . . . . 0.38 109.249 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.94 132.94 16.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.159 -0.963 . . . . 0.36 109.731 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 7.3 tt0 -85.65 133.09 34.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -0.937 . . . . 1.36 109.195 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.74 114.04 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.164 -0.96 . . . . 0.49 109.672 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 4.1 ttt180 -73.69 146.32 44.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.417 -0.802 . . . . 2.1 109.354 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 98.22 133.92 8.16 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.716 -1.353 . . . . 0.44 109.716 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.4 ttm180 -76.91 -60.93 2.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -1.132 . . . . 2.72 109.421 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.94 -38.29 75.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.391 -0.818 . . . . 2.21 109.281 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.99 -44.71 94.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.254 -0.904 . . . . 2.79 109.378 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.62 -53.69 53.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.428 -0.795 . . . . 0.45 109.683 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -50.77 -37.34 41.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.809 . . . . 1.68 110.031 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.75 -50.78 67.71 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.098 -1.001 . . . . 0.43 110.453 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.37 -51.33 69.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.197 -0.939 . . . . 0.28 109.313 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.67 -42.09 56.27 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.436 -0.79 . . . . 2.52 109.77 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.21 -42.31 94.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.226 -0.922 . . . . 1.75 109.931 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 344' ' ' LEU . 49.4 mt -62.18 -44.99 95.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.31 109.479 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.95 -47.74 82.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.436 -0.79 . . . . 1.21 109.539 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.81 73.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.391 -0.818 . . . . 1.69 109.572 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -52.58 64.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.27 109.822 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.11 -40.35 93.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.239 -0.913 . . . . 0.3 109.456 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.88 -38.23 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.883 . . . . 1.93 109.53 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -64.72 -41.69 95.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.375 -0.828 . . . . 0.4 109.199 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.592 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -60.31 -45.44 93.38 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.577 -0.897 . . . . 1.59 108.577 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -55.97 -29.77 60.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.165 -0.68 . . . . 1.43 109.165 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.81 95.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.485 -0.76 . . . . 0.65 109.143 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.19 109.076 179.507 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.46 -0.57 . . . . 2.11 109.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -93.77 152.22 19.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.214 -0.929 . . . . 0.64 109.425 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -137.74 -168.43 2.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.49 109.589 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.416 HG23 ' O ' ' C' ' 328' ' ' PHE . 11.0 p -153.36 155.13 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 0.47 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.85 132.99 16.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.42 109.684 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 7.2 tt0 -85.76 133.05 34.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 1.81 109.188 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' C' ' 341' ' ' PHE . 38.6 mt -123.65 113.93 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.112 -0.992 . . . . 0.42 109.724 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.32 44.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.381 -0.825 . . . . 2.35 109.45 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 98.22 133.97 8.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.688 -1.365 . . . . 0.41 109.688 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.488 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttm180 -77.05 -60.72 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.59 109.435 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.99 -38.42 76.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 2.54 109.243 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.91 -44.72 94.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.328 -0.857 . . . . 3.39 109.43 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -55.72 -53.53 55.51 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.373 -0.829 . . . . 0.47 109.731 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.78 -37.42 42.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 1.66 110.051 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.64 -50.79 67.91 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.192 -0.943 . . . . 0.61 110.604 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.4 m-85 -60.28 -51.45 69.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.123 -0.985 . . . . 0.33 109.298 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.63 -42.1 55.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.501 -0.749 . . . . 3.28 109.814 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.18 -42.38 94.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 109.936 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' D' ' 344' ' ' LEU . 49.5 mt -62.11 -44.98 95.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.38 109.537 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -57.86 -47.81 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.269 -0.895 . . . . 1.2 109.587 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.78 73.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.426 -0.796 . . . . 2.12 109.565 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.76 -52.54 64.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 0.26 109.764 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.04 -40.39 93.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.4 109.494 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.85 -38.19 81.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 2.09 109.605 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.671 HD12 ' HD3' ' D' ' 351' ' ' LYS . 0.7 OUTLIER -64.75 -41.61 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.75 109.296 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.35 -45.22 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.65 -0.87 . . . . 2.19 108.65 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -56.07 -29.82 61.09 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.143 -0.688 . . . . 1.34 109.143 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.7 94.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.378 -0.826 . . . . 0.72 109.181 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.94 . . . . 1.8 109.088 179.55 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.418 -0.586 . . . . 1.67 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.86 152.11 19.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.21 -0.931 . . . . 0.61 109.449 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.5 m-85 -137.59 -168.3 2.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.909 . . . . 0.56 109.607 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.41 HG23 ' O ' ' D' ' 328' ' ' PHE . 11.0 p -153.44 155.21 35.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.43 109.171 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 20.5 tp -149.94 133.01 16.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.35 109.698 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 7.2 tt0 -85.74 132.97 34.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 1.37 109.166 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' D' ' 341' ' ' PHE . 38.5 mt -123.59 113.93 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.085 -1.01 . . . . 0.48 109.769 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 4.1 ttt180 -73.57 146.41 44.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 2.08 109.402 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 98.11 133.92 8.14 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.4 ttm180 -76.96 -60.93 2.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -1.167 . . . . 2.64 109.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 2.22 109.235 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.87 -44.64 94.05 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.335 -0.853 . . . . 2.74 109.43 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -55.75 -53.59 54.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.444 -0.785 . . . . 0.43 109.673 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.87 -37.24 42.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.151 -0.968 . . . . 1.69 110.084 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.77 -50.83 67.48 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.196 -0.94 . . . . 0.43 110.479 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.409 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.2 m-85 -60.36 -51.31 70.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.27 109.339 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -50.6 -42.13 55.54 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.487 -0.758 . . . . 2.45 109.714 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.32 -42.31 95.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.198 -0.939 . . . . 1.75 109.836 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -62.15 -44.94 95.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.31 109.5 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.94 -47.89 81.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 1.22 109.496 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.06 -32.91 73.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 1.73 109.577 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -52.54 64.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.28 109.718 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.1 -40.45 93.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.31 109.458 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -59.73 -38.27 81.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.91 109.587 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.66 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -64.74 -41.66 95.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.336 -0.853 . . . . 0.43 109.21 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.671 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -60.3 -45.35 93.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.616 -0.883 . . . . 1.57 108.616 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -56.0 -29.8 60.86 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.248 -0.649 . . . . 1.44 109.248 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.83 95.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.385 -0.822 . . . . 0.64 109.129 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.359 -0.838 . . . . 1.21 109.067 179.536 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.287 0.565 . . . . 1.7 109.625 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 10.5 m-85 -94.16 153.06 18.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.61 109.442 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.22 -167.0 2.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.58 109.742 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 3.6 p -153.23 159.65 42.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.137 -0.977 . . . . 0.42 109.616 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.0 tp -149.82 134.89 17.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.36 109.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.451 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 12.7 tt0 -86.03 132.75 33.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.314 -0.867 . . . . 1.37 109.552 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.3 mt -124.01 118.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.47 109.524 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.63 148.16 43.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.96 . . . . 2.1 109.593 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.36 140.39 10.87 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.936 -1.266 . . . . 0.42 109.936 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.99 1.97 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 2.68 109.382 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -42.24 86.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.184 -0.947 . . . . 2.22 109.413 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.683 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.65 -40.67 92.88 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.246 -0.909 . . . . 2.77 109.453 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -55.14 -56.49 19.34 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.315 -0.866 . . . . 0.43 109.652 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -50.78 -32.06 18.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.66 109.833 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.08 -50.05 72.08 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.44 109.932 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.5 m-85 -60.91 -47.57 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.27 -0.894 . . . . 0.29 109.119 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.12 -42.86 60.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -0.837 . . . . 2.44 109.391 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -41.0 93.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 1.74 109.842 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' B' ' 344' ' ' LEU . 30.5 mt -62.0 -45.51 93.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.127 -0.983 . . . . 0.3 109.501 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' C' ' 330' ' ' LEU . 52.5 t30 -57.98 -49.23 77.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.289 -0.882 . . . . 1.22 109.862 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.41 -34.98 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 1.72 109.779 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.02 -50.95 72.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.27 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.708 HD13 ' NH1' ' C' ' 337' ' ' ARG . 63.7 mt -61.76 -36.94 82.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.294 -0.879 . . . . 0.29 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.45 -39.78 88.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 1.91 109.771 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -62.8 -47.28 84.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.41 109.945 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.95 -40.9 95.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.212 -0.93 . . . . 1.56 109.196 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.41 -32.56 64.96 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.573 -0.704 . . . . 1.43 109.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.23 83.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.66 109.576 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.278 -0.889 . . . . 1.18 109.592 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.338 0.59 . . . . 1.61 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.4 m-85 -94.22 153.09 18.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.57 109.422 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.6 m-85 -139.19 -167.13 2.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.095 -1.003 . . . . 0.53 109.755 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.5 p -153.15 159.73 42.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.38 109.603 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.3 tp -149.94 134.85 17.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.306 -0.871 . . . . 0.36 109.431 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -86.05 132.83 33.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.36 109.594 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.4 mt -124.09 119.02 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.293 -0.879 . . . . 0.49 109.456 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.65 148.28 42.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 2.1 109.659 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.33 140.48 10.93 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.896 -1.282 . . . . 0.44 109.896 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.96 1.98 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -1.12 . . . . 2.72 109.378 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -42.29 87.69 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.229 -0.92 . . . . 2.21 109.413 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.752 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -60.5 -40.64 92.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.29 -0.881 . . . . 2.79 109.48 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.2 t80 -55.37 -56.17 23.15 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.396 -0.815 . . . . 0.45 109.697 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.97 -31.89 19.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 1.68 109.88 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.15 -50.02 72.04 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.189 -0.944 . . . . 0.43 109.95 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.4 m-85 -60.9 -47.5 86.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.28 109.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -51.22 -42.91 61.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 2.52 109.417 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -41.08 93.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 1.75 109.83 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 344' ' ' LEU . 30.5 mt -61.99 -45.43 93.65 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.31 109.486 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.17 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.884 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.3 -35.09 76.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.282 -0.886 . . . . 1.69 109.78 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -50.78 72.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.27 109.505 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.787 HD13 ' NH1' ' D' ' 337' ' ' ARG . 64.7 mt -61.99 -36.8 82.59 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.374 -0.829 . . . . 0.3 109.199 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.62 -39.63 88.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 1.93 109.823 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' B' ' 350' ' ' LEU . 12.7 tp -62.86 -47.14 84.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.4 109.952 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -61.04 -40.85 95.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.23 -0.919 . . . . 1.59 109.189 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.36 -32.66 64.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.403 -0.811 . . . . 1.43 109.352 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.29 84.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 0.65 109.613 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.857 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 1.19 109.572 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.244 0.545 . . . . 2.11 109.683 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 10.4 m-85 -94.19 153.19 18.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 0.64 109.402 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.2 m-85 -139.28 -166.96 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.49 109.665 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.7 p -153.2 159.65 42.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.47 109.58 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 345' ' ' ASN . 19.9 tp -149.83 134.92 17.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.42 109.508 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 12.7 tt0 -86.12 132.77 33.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.25 -0.907 . . . . 1.81 109.584 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.0 mt -124.02 119.03 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.926 . . . . 0.42 109.51 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.72 148.05 43.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.307 -0.871 . . . . 2.35 109.591 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.44 140.57 11.02 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.863 -1.295 . . . . 0.41 109.863 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.6 ttt180 -83.29 -61.06 1.95 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.244 -1.151 . . . . 2.59 109.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.25 87.35 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.256 -0.903 . . . . 2.54 109.481 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.708 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -60.49 -40.5 91.55 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.158 -0.964 . . . . 3.39 109.599 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.3 t80 -55.38 -56.39 20.67 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.418 -0.801 . . . . 0.47 109.644 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -50.76 -32.01 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 1.66 109.802 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.08 -50.09 71.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.101 -0.999 . . . . 0.61 109.943 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -60.97 -47.6 85.67 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.207 -0.933 . . . . 0.33 109.048 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -51.13 -42.87 60.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 3.28 109.489 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -41.0 93.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.338 -0.851 . . . . 1.78 109.805 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' D' ' 344' ' ' LEU . 31.0 mt -62.11 -45.5 93.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.38 109.522 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.482 ' HB2' HD21 ' A' ' 330' ' ' LEU . 52.4 t30 -58.11 -49.04 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.2 109.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 4.7 mt-10 -61.42 -35.16 76.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 2.12 109.713 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -50.82 72.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.26 109.532 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.79 -36.94 82.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.428 -0.795 . . . . 0.4 109.257 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.54 -39.6 88.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.366 -0.834 . . . . 2.09 109.818 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' C' ' 350' ' ' LEU . 12.6 tp -62.89 -47.37 83.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.75 109.911 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.95 -40.82 94.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 2.19 109.152 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.44 -32.56 65.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.449 -0.782 . . . . 1.34 109.352 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.34 84.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.309 -0.869 . . . . 0.72 109.614 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.659 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.8 109.578 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.269 0.557 . . . . 1.67 109.638 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.7 m-85 -94.31 153.23 18.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.257 -0.902 . . . . 0.61 109.329 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.4 m-85 -139.35 -167.07 2.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.56 109.629 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.6 p -153.17 159.75 42.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.43 109.588 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.1 tp -149.9 134.76 17.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -0.959 . . . . 0.35 109.463 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 12.6 tt0 -86.0 132.84 33.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.205 -0.934 . . . . 1.37 109.626 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.7 mt -124.14 119.05 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.161 -0.962 . . . . 0.48 109.412 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.7 148.22 42.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 2.08 109.53 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.29 140.52 10.94 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.4 ttt180 -83.25 -60.86 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 2.64 109.499 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.38 88.1 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.323 -0.861 . . . . 2.22 109.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -60.45 -40.63 91.84 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.29 -0.881 . . . . 2.74 109.51 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.1 t80 -55.31 -56.31 21.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.489 -0.757 . . . . 0.43 109.607 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.91 -31.94 19.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.69 109.778 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.13 -49.97 72.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -0.953 . . . . 0.43 109.966 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.08 -47.66 85.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.224 -0.923 . . . . 0.27 109.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -42.94 60.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.45 109.416 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.99 93.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.289 -0.882 . . . . 1.75 109.88 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' C' ' 344' ' ' LEU . 31.1 mt -62.07 -45.47 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.31 109.518 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.446 ' HB2' HD21 ' B' ' 330' ' ' LEU . 52.2 t30 -58.04 -49.17 77.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.38 -0.825 . . . . 1.22 109.831 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.33 -35.17 76.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.73 109.74 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.88 -51.06 71.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.255 -0.903 . . . . 0.28 109.536 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' NH1' ' B' ' 337' ' ' ARG . 63.7 mt -61.79 -36.76 82.03 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.295 -0.878 . . . . 0.31 109.333 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.63 -39.69 89.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.91 109.753 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.659 HD21 ' OE1' ' C' ' 354' ' ' GLN . 12.6 tp -62.73 -47.31 84.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.43 109.94 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 9.5 ttmt -60.89 -40.92 94.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.398 -0.814 . . . . 1.57 109.265 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.42 -32.54 64.95 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.479 -0.763 . . . . 1.44 109.318 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.44 84.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.377 -0.827 . . . . 0.64 109.533 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.257 -0.902 . . . . 1.21 109.611 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.492 -0.559 . . . . 1.7 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -93.9 156.63 16.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.61 109.445 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.2 m-85 -139.11 -168.99 2.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.894 . . . . 0.58 109.425 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 11.2 p -152.78 161.09 43.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 0.42 109.573 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.2 tp -147.87 130.92 16.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.36 109.423 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.74 130.99 34.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 1.37 109.715 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.92 121.09 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.154 -0.966 . . . . 0.47 109.472 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -73.75 147.92 43.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 2.1 109.506 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 139.2 7.64 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.791 -1.324 . . . . 0.42 109.791 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 22.8 ttp180 -82.78 -55.12 4.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.372 -1.075 . . . . 2.68 109.519 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -58.41 -44.62 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.39 -0.819 . . . . 2.22 109.477 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -41.94 94.76 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.144 -0.972 . . . . 2.77 109.262 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 52.8 t80 -55.93 -52.12 65.23 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.46 -0.775 . . . . 0.43 109.78 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.46 -36.13 32.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.418 -0.801 . . . . 1.66 110.086 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -62.82 -48.44 79.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.117 -0.989 . . . . 0.44 110.011 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 24.3 m-85 -60.96 -49.06 78.99 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.283 -0.886 . . . . 0.29 109.332 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.13 -41.99 60.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.44 -0.788 . . . . 2.44 109.599 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.17 -41.65 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 1.74 109.847 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 344' ' ' LEU . 28.4 mt -62.08 -45.87 91.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.3 109.524 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.4 t30 -57.59 -45.24 85.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.22 109.519 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.06 -37.31 84.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 1.72 109.777 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -50.67 72.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.3 -0.875 . . . . 0.27 109.918 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.689 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.2 mt -61.11 -40.45 93.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 0.29 109.696 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.94 -39.02 87.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 1.91 109.99 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 12.6 tp -64.03 -44.53 92.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.41 109.881 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 26.5 ttmt -62.14 -43.09 99.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 1.56 109.341 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.92 -33.35 66.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.505 -0.747 . . . . 1.43 109.803 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.59 79.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.66 109.772 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.458 ' OE1' HD21 ' B' ' 350' ' ' LEU . 16.6 mt-30 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.183 -0.948 . . . . 1.18 109.516 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.464 -0.569 . . . . 1.61 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.91 156.56 16.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.57 109.489 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 74.1 m-85 -139.1 -168.96 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.53 109.519 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 11.3 p -152.72 161.06 43.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.141 -0.975 . . . . 0.38 109.642 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -147.84 130.82 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.927 . . . . 0.36 109.385 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 45.6 tt0 -86.68 130.95 34.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 1.36 109.756 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' B' ' 341' ' ' PHE . 44.6 mt -123.84 121.02 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.939 . . . . 0.49 109.552 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.68 147.86 43.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 2.1 109.609 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.31 139.23 7.71 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.799 -1.32 . . . . 0.44 109.799 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 22.9 ttp180 -82.84 -55.18 4.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -1.157 . . . . 2.72 109.462 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.39 -44.53 89.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.21 109.511 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.38 -42.01 94.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.252 -0.905 . . . . 2.79 109.345 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.5 t80 -55.74 -52.27 64.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -0.81 . . . . 0.45 109.782 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.5 -36.14 32.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.68 110.07 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.79 -48.29 79.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.134 -0.979 . . . . 0.43 110.095 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.629 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 24.1 m-85 -61.02 -49.3 77.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.945 . . . . 0.28 109.223 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -50.9 -42.07 58.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 2.52 109.627 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -0.893 . . . . 1.75 109.824 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' A' ' 344' ' ' LEU . 28.2 mt -62.11 -45.91 91.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.31 109.495 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.6 t30 -57.62 -45.26 85.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.392 -0.818 . . . . 1.21 109.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.97 -37.33 84.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.872 . . . . 1.69 109.819 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.01 -50.6 73.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.185 -0.947 . . . . 0.27 109.915 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.611 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 20.1 mt -61.19 -40.48 94.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.338 -0.851 . . . . 0.3 109.729 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.84 -39.0 87.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 1.93 110.02 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.458 HD21 ' OE1' ' A' ' 354' ' ' GLN . 12.6 tp -63.99 -44.56 92.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.4 109.921 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 26.6 ttmt -62.13 -43.13 99.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 1.59 109.31 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -56.99 -33.31 66.99 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.464 -0.773 . . . . 1.43 109.799 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.41 79.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.859 . . . . 0.65 109.789 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.456 ' OE1' HD21 ' A' ' 350' ' ' LEU . 16.7 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 1.19 109.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.493 -0.558 . . . . 2.11 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -93.84 156.61 16.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.64 109.521 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.5 m-85 -139.07 -168.88 2.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.49 109.524 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.3 p -152.86 160.91 43.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.106 -0.996 . . . . 0.47 109.693 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -147.75 130.93 16.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.42 109.419 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 45.6 tt0 -86.81 131.03 34.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.81 109.705 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.4 mt -123.94 121.0 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 0.42 109.495 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -73.73 147.87 43.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 2.35 109.546 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 139.07 7.58 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.836 -1.306 . . . . 0.41 109.836 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.8 ttp180 -82.63 -55.12 4.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.361 -1.082 . . . . 2.59 109.51 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.48 -44.47 89.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.35 -0.844 . . . . 2.54 109.385 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.54 -41.99 95.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 3.39 109.2 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.0 t80 -55.79 -52.19 64.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.47 109.801 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -50.55 -36.03 32.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 1.66 110.05 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.88 -48.37 79.3 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.162 -0.961 . . . . 0.61 109.925 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.689 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 24.0 m-85 -61.06 -49.09 78.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.204 -0.935 . . . . 0.33 109.24 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.12 -42.04 60.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.493 -0.754 . . . . 3.28 109.578 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.09 -41.64 92.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 1.78 109.809 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' D' ' 344' ' ' LEU . 28.6 mt -62.11 -45.87 91.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.38 109.505 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.3 t30 -57.6 -45.26 85.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 1.2 109.487 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -62.01 -37.44 84.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.317 -0.864 . . . . 2.12 109.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.92 -50.62 73.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.189 -0.944 . . . . 0.26 109.99 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.634 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.5 mt -61.25 -40.39 93.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.4 109.707 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -39.04 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 2.09 109.979 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.646 HD21 ' OE1' ' D' ' 354' ' ' GLN . 12.6 tp -63.99 -44.5 92.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.75 109.96 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.487 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 26.5 ttmt -62.03 -43.24 99.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 2.19 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.51 -0.744 . . . . 1.34 109.735 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.45 79.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 0.72 109.781 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.8 109.412 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.428 -0.582 . . . . 1.67 109.428 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -93.98 156.69 16.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.912 . . . . 0.61 109.332 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.15 -168.98 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.56 109.463 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.1 p -152.84 160.95 43.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.11 -0.994 . . . . 0.43 109.657 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.4 tp -147.73 130.81 16.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.35 109.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 45.7 tt0 -86.78 131.08 34.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.233 -0.917 . . . . 1.37 109.694 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' D' ' 341' ' ' PHE . 44.6 mt -123.94 121.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.48 109.474 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.65 147.8 43.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.308 -0.87 . . . . 2.08 109.538 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.36 139.26 7.75 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.798 -1.321 . . . . 0.4 109.798 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.9 ttp180 -82.8 -55.19 4.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.348 -1.09 . . . . 2.64 109.488 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -58.3 -44.74 88.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.368 -0.833 . . . . 2.22 109.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.28 -41.97 94.46 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.284 -0.885 . . . . 2.74 109.332 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.3 t80 -55.83 -52.19 64.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.43 109.822 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.41 -36.22 31.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.69 110.067 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.81 -48.3 79.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.971 . . . . 0.43 110.035 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 24.3 m-85 -60.97 -49.22 78.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.18 -0.95 . . . . 0.27 109.259 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.1 -41.95 60.32 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.474 -0.766 . . . . 2.45 109.56 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.25 -41.53 93.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 1.75 109.799 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' C' ' 344' ' ' LEU . 28.5 mt -62.1 -45.88 91.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.31 109.564 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.4 t30 -57.64 -45.22 85.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.22 109.5 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.03 -37.24 84.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.73 109.862 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -50.62 73.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.315 -0.865 . . . . 0.28 109.918 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.629 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.27 -40.45 94.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.334 -0.854 . . . . 0.31 109.719 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.79 -38.96 87.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.282 -0.886 . . . . 1.91 109.963 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 12.6 tp -64.19 -44.51 91.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 0.43 109.792 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -62.01 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 1.57 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -57.04 -33.31 67.09 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.56 -0.712 . . . . 1.44 109.677 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.48 79.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.344 -0.847 . . . . 0.64 109.755 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.646 ' OE1' HD21 ' C' ' 350' ' ' LEU . 16.5 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 1.21 109.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.1 mt-10 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.322 -0.621 . . . . 1.7 109.322 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 20.6 m-85 -94.87 146.97 23.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.61 109.693 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 46.4 m-85 -140.37 140.19 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.58 109.418 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.27 171.68 8.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 0.42 109.627 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.1 tp -149.75 134.08 17.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.36 109.681 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.73 122.91 31.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.37 109.5 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -124.16 109.12 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.344 -0.847 . . . . 0.47 109.805 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -74.5 146.01 43.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.916 . . . . 2.1 109.47 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.68 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.889 -1.285 . . . . 0.42 109.889 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.3 ttt180 -80.73 -54.46 5.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -1.146 . . . . 2.68 109.27 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.58 -44.7 89.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 2.22 109.281 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.28 -44.43 95.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.429 -0.794 . . . . 2.77 109.522 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' C' ' 330' ' ' LEU . 37.8 t80 -54.61 -54.18 44.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.43 109.526 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.5 -39.07 56.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.318 -0.864 . . . . 1.66 110.073 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.63 -47.03 85.51 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.192 -0.943 . . . . 0.44 110.212 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -49.51 76.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.125 -0.984 . . . . 0.29 109.352 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.05 -39.6 56.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 2.44 109.394 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.29 -43.08 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 1.74 109.73 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' B' ' 344' ' ' LEU . 97.1 mt -62.46 -44.98 95.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.3 -0.875 . . . . 0.3 109.52 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.74 -45.52 85.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.852 . . . . 1.22 109.734 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.54 -37.18 85.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 1.72 109.645 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.98 -52.05 67.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.27 109.936 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.304 -0.873 . . . . 0.29 109.551 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -59.56 -37.37 78.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 1.91 109.478 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.523 HD21 ' OE1' ' B' ' 354' ' ' GLN . 14.4 tp -63.53 -40.67 97.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 0.41 109.094 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -52.52 63.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.025 -0.731 . . . . 1.56 109.025 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.51 -29.79 62.25 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.616 -0.677 . . . . 1.43 109.679 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.05 92.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.347 -0.846 . . . . 0.66 109.699 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.642 ' OE1' HD21 ' B' ' 350' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.18 109.551 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.264 -0.643 . . . . 1.61 109.264 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 21.0 m-85 -94.86 147.05 23.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.57 109.585 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 45.7 m-85 -140.47 140.19 35.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.868 . . . . 0.53 109.39 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.4 p -92.25 171.64 8.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.447 -0.783 . . . . 0.38 109.601 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' B' ' 330' ' ' LEU . 25.3 tp -149.77 134.13 17.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.36 109.604 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.84 122.91 31.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 1.36 109.517 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.14 108.95 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.49 109.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -74.43 145.99 43.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.201 -0.937 . . . . 2.1 109.532 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.69 134.8 8.64 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.876 -1.29 . . . . 0.44 109.876 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.2 ttt180 -80.76 -54.31 5.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -1.121 . . . . 2.72 109.312 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.66 -44.71 90.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 2.21 109.356 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.44 95.15 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.344 -0.848 . . . . 2.79 109.606 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' D' ' 330' ' ' LEU . 37.7 t80 -54.53 -54.31 42.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.348 -0.845 . . . . 0.45 109.557 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.55 -38.97 56.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -0.861 . . . . 1.68 110.061 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.54 -47.08 85.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.154 -0.966 . . . . 0.43 110.217 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -49.49 76.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.138 -0.976 . . . . 0.28 109.256 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -50.94 -39.54 55.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 2.52 109.541 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.39 -43.02 97.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.185 -0.947 . . . . 1.75 109.689 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 344' ' ' LEU . 96.6 mt -62.56 -44.84 95.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.31 109.617 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.8 -45.5 85.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.321 -0.862 . . . . 1.21 109.777 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.53 -37.19 85.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 1.69 109.643 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.0 -51.94 67.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.27 109.985 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.27 -40.78 95.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.331 -0.856 . . . . 0.3 109.527 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.6 -37.22 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.93 109.463 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.642 HD21 ' OE1' ' A' ' 354' ' ' GLN . 14.4 tp -63.7 -40.56 97.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.271 -0.893 . . . . 0.4 109.173 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -52.59 63.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.065 -0.717 . . . . 1.59 109.065 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.5 -29.78 62.23 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.647 -0.658 . . . . 1.43 109.716 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.12 92.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.65 109.733 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.523 ' OE1' HD21 ' A' ' 350' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.114 -0.991 . . . . 1.19 109.56 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 47.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.31 -0.626 . . . . 2.11 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 21.1 m-85 -94.89 146.98 23.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.64 109.612 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 46.3 m-85 -140.4 140.18 35.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.188 -0.945 . . . . 0.49 109.362 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.5 p -92.22 171.75 8.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.885 . . . . 0.47 109.659 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' A' ' 338' ' ' PHE . 25.2 tp -149.8 133.98 17.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 0.42 109.685 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.65 122.92 31.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.81 109.562 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.2 108.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.188 -0.945 . . . . 0.42 109.878 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -74.34 146.04 43.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 2.35 109.486 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.63 134.79 8.64 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.992 -1.243 . . . . 0.41 109.992 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.2 ttt180 -80.66 -54.52 5.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -1.084 . . . . 2.59 109.296 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.51 -44.84 89.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.201 -0.937 . . . . 2.54 109.297 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.37 95.2 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.252 -0.905 . . . . 3.39 109.64 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.62 -54.27 43.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.851 . . . . 0.47 109.493 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -51.51 -38.93 56.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 1.66 110.141 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.59 -47.18 84.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.175 -0.953 . . . . 0.61 110.15 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.3 -49.44 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.92 . . . . 0.33 109.327 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.0 -39.55 56.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.35 -0.844 . . . . 3.28 109.518 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.257 -0.902 . . . . 1.78 109.739 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' D' ' 344' ' ' LEU . 96.8 mt -62.5 -44.87 95.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.875 . . . . 0.38 109.597 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -45.52 86.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.2 109.708 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.44 -37.24 85.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.921 . . . . 2.12 109.647 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.02 -51.99 67.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.26 109.929 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.22 -40.77 95.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 0.4 109.615 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.55 -37.24 77.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.237 -0.915 . . . . 2.09 109.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.659 HD21 ' OE1' ' D' ' 354' ' ' GLN . 14.4 tp -63.67 -40.6 97.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 0.75 109.105 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -52.56 63.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.429 -0.794 . . . . 2.19 109.056 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.41 -29.86 62.08 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.644 -0.66 . . . . 1.34 109.707 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.03 92.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.72 109.699 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.473 ' OE1' HD21 ' D' ' 350' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.8 109.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.366 -0.605 . . . . 1.67 109.366 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 20.6 m-85 -94.9 147.05 23.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.894 . . . . 0.61 109.561 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 46.0 m-85 -140.44 140.15 35.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.956 . . . . 0.56 109.388 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.22 171.71 8.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.43 109.61 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' B' ' 338' ' ' PHE . 25.2 tp -149.78 134.03 17.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.202 -0.936 . . . . 0.35 109.682 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 122.86 31.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.847 . . . . 1.37 109.551 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.21 109.09 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.938 . . . . 0.48 109.768 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -74.48 146.15 43.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 2.08 109.477 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.53 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.925 -1.27 . . . . 0.4 109.925 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.2 ttt180 -80.63 -54.45 5.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -1.149 . . . . 2.64 109.326 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.55 -44.81 89.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.336 -0.852 . . . . 2.22 109.309 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.42 95.15 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.425 -0.797 . . . . 2.74 109.58 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.6 -54.3 43.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 0.43 109.446 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.47 -39.0 56.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 1.69 110.151 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.6 -47.05 85.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.12 -0.988 . . . . 0.43 110.177 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.31 -49.42 77.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.27 109.378 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.15 -39.33 56.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 2.45 109.549 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.44 -42.96 97.17 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 1.75 109.737 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -62.66 -44.83 95.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.292 -0.88 . . . . 0.31 109.469 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -57.94 -45.62 86.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 1.22 109.686 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.29 -37.22 84.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.73 109.701 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.04 -51.89 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.28 109.975 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.29 -40.86 95.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.31 109.509 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.56 -37.29 78.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 1.91 109.473 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.473 HD21 ' OE1' ' C' ' 354' ' ' GLN . 14.4 tp -63.55 -40.55 97.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 0.43 109.207 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -52.53 63.14 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.495 -0.753 . . . . 1.57 109.142 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -56.48 -29.71 62.08 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.594 -0.691 . . . . 1.44 109.796 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.18 92.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.64 109.685 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.659 ' OE1' HD21 ' C' ' 350' ' ' LEU . 4.2 mt-30 . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.078 -1.013 . . . . 1.21 109.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.319 -0.623 . . . . 1.7 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 5.2 m-85 -94.14 157.16 16.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.136 -0.977 . . . . 0.61 109.615 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.1 m-85 -140.1 -167.76 2.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.293 -0.879 . . . . 0.58 109.604 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 15.7 p -153.06 160.11 42.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.42 109.534 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.4 tp -147.91 134.27 19.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.36 109.358 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.97 128.11 34.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 1.37 109.397 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.98 118.19 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.149 -0.969 . . . . 0.47 109.582 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 152.59 40.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 2.1 109.457 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.72 130.61 2.5 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.2 ttt180 -78.67 -47.76 16.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -1.199 . . . . 2.68 109.294 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.38 -50.37 73.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.866 . . . . 2.22 109.407 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.59 -39.13 86.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.432 -0.793 . . . . 2.77 109.383 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' C' ' 329' ' ' THR . 60.1 t80 -55.13 -55.41 31.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.392 -0.818 . . . . 0.43 109.411 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -50.78 -38.55 48.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 1.66 110.108 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.41 -48.85 77.91 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.244 -0.91 . . . . 0.44 110.242 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.46 -52.85 63.44 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.157 -0.965 . . . . 0.29 109.305 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -50.93 -38.96 53.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 2.44 109.739 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.71 -43.63 97.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.137 -0.977 . . . . 1.74 109.799 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 344' ' ' LEU . 72.7 mt -62.3 -41.41 98.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.124 -0.985 . . . . 0.3 109.395 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.31 -50.31 74.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.22 109.664 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.42 ' HB3' ' HZ1' ' B' ' 351' ' ' LYS . 1.2 mm-40 -62.98 -33.3 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -0.834 . . . . 1.72 110.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.65 -52.71 64.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.111 -0.993 . . . . 0.27 109.961 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.74 -40.61 93.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 0.29 109.598 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.88 -36.73 77.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.91 109.573 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.711 HD11 HE22 ' B' ' 354' ' ' GLN . 14.3 tp -64.36 -42.31 96.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.221 -0.924 . . . . 0.41 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.51 -48.65 80.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 1.56 108.9 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.87 -30.46 63.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.721 -0.612 . . . . 1.43 109.664 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.05 89.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.327 -0.858 . . . . 0.66 109.72 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.455 ' NE2' HD21 ' B' ' 350' ' ' LEU . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.18 109.704 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.343 -0.614 . . . . 1.61 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 5.3 m-85 -94.19 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.57 109.519 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.1 m-85 -140.24 -167.75 2.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.53 109.646 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 14.9 p -152.91 160.38 43.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.23 -0.919 . . . . 0.38 109.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.6 tp -148.1 134.15 19.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.36 109.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 1.0 OUTLIER -85.8 128.05 34.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 1.36 109.437 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.97 118.21 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.49 109.653 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 152.81 39.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.291 -0.88 . . . . 2.1 109.391 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.56 130.77 2.47 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.751 -1.34 . . . . 0.44 109.751 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 35.5 ttt180 -78.87 -47.63 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -1.066 . . . . 2.72 109.318 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.63 -50.12 75.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 2.21 109.477 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.318 -0.863 . . . . 2.79 109.383 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.4 t80 -55.02 -55.45 30.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.313 -0.867 . . . . 0.45 109.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -50.83 -38.62 49.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 1.68 109.909 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.42 -48.86 77.83 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.201 -0.937 . . . . 0.43 110.093 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.47 -52.67 64.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.136 -0.977 . . . . 0.28 109.325 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -51.03 -38.9 54.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.433 -0.792 . . . . 2.52 109.829 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -60.68 -43.67 97.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 1.75 109.86 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' B' ' 344' ' ' LEU . 72.9 mt -62.31 -41.49 98.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.123 -0.986 . . . . 0.31 109.368 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.24 -50.24 74.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.372 -0.83 . . . . 1.21 109.628 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.86 -33.49 75.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.271 -0.893 . . . . 1.69 110.071 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.78 -52.55 64.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.27 109.99 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.72 -40.92 94.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.3 109.632 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.68 -36.81 77.21 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 1.93 109.615 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.455 HD21 ' NE2' ' A' ' 354' ' ' GLN . 14.3 tp -64.26 -42.25 96.57 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.184 -0.948 . . . . 0.4 109.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 346' ' ' GLU . 5.6 ttmm -61.51 -48.8 79.41 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.888 -0.782 . . . . 1.59 108.888 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.74 -30.59 63.72 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.604 -0.685 . . . . 1.43 109.715 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.05 89.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.65 109.721 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.711 HE22 HD11 ' A' ' 350' ' ' LEU . 29.2 mt-30 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 1.19 109.641 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.195 -0.668 . . . . 2.11 109.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 5.5 m-85 -94.28 157.21 16.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.64 109.545 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.2 m-85 -140.15 -167.81 2.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.49 109.661 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 15.3 p -153.06 159.81 42.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.47 109.615 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -147.61 134.43 20.1 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.32 -0.862 . . . . 0.42 109.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.02 127.86 34.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 1.81 109.392 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.75 118.27 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.42 109.601 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 152.87 39.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.875 . . . . 2.35 109.419 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.26 130.74 2.35 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.73 -1.348 . . . . 0.41 109.73 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.4 ttt180 -78.87 -47.65 16.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -1.126 . . . . 2.59 109.293 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.44 -50.28 74.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 2.54 109.355 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.63 -39.16 87.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.317 -0.864 . . . . 3.39 109.453 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 329' ' ' THR . 60.3 t80 -55.17 -55.31 32.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.47 109.438 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -50.96 -38.42 50.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 1.66 110.016 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -62.43 -48.89 77.69 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.214 -0.929 . . . . 0.61 110.223 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.38 -52.69 64.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.131 -0.981 . . . . 0.33 109.394 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -38.92 54.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.45 -0.781 . . . . 3.28 109.806 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.65 -43.68 97.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 1.78 109.854 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' C' ' 344' ' ' LEU . 71.5 mt -62.39 -41.33 98.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.103 -0.998 . . . . 0.38 109.367 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.29 -50.5 73.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.2 109.611 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.91 -33.13 74.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.12 110.214 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -52.82 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 0.26 109.989 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.77 -40.6 93.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.246 -0.909 . . . . 0.4 109.579 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.83 -36.97 77.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 2.09 109.615 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.713 HD11 HE22 ' D' ' 354' ' ' GLN . 14.2 tp -64.1 -42.21 96.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 0.75 109.355 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.533 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 5.6 ttmm -61.67 -48.65 79.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.396 -0.815 . . . . 2.19 108.956 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.77 -30.42 63.6 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.665 -0.647 . . . . 1.34 109.747 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.09 89.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.72 109.806 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.496 HE22 HD11 ' D' ' 350' ' ' LEU . 29.3 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.207 -0.933 . . . . 1.8 109.651 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.141 -0.689 . . . . 1.67 109.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 5.2 m-85 -94.18 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.61 109.447 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.3 m-85 -140.23 -167.68 2.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.925 . . . . 0.56 109.594 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 15.2 p -152.82 160.5 43.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.959 . . . . 0.43 109.541 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.4 tp -148.37 134.03 18.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.35 109.404 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -85.74 128.15 34.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 1.37 109.419 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -123.96 118.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.48 109.578 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 152.45 40.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 2.08 109.399 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 130.65 2.56 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.694 -1.362 . . . . 0.4 109.694 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 35.7 ttt180 -78.78 -47.51 16.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -1.199 . . . . 2.64 109.305 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.74 -50.27 74.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.163 -0.96 . . . . 2.22 109.369 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.61 -39.04 86.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.348 -0.845 . . . . 2.74 109.393 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 60.6 t80 -55.1 -55.32 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.43 109.536 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -50.86 -38.62 50.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.487 -0.758 . . . . 1.69 110.021 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.51 -48.61 78.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.28 -0.888 . . . . 0.43 110.255 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.57 -52.74 63.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.02 . . . . 0.27 109.34 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.462 -0.774 . . . . 2.45 109.836 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -60.74 -43.55 97.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.935 . . . . 1.75 109.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' D' ' 344' ' ' LEU . 71.5 mt -62.37 -41.64 98.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.31 109.333 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -58.16 -50.3 73.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -0.847 . . . . 1.22 109.638 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.462 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.2 mm-40 -62.96 -33.5 75.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 1.73 110.152 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.65 -52.53 65.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.28 110.038 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.77 -40.95 94.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.269 -0.895 . . . . 0.31 109.592 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.65 -36.77 77.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 1.91 109.562 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 14.0 tp -64.31 -42.24 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.202 -0.936 . . . . 0.43 109.429 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.56 -48.68 79.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.379 -0.826 . . . . 1.57 108.957 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -56.73 -30.52 63.61 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.602 -0.686 . . . . 1.44 109.695 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.16 90.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.302 -0.874 . . . . 0.64 109.725 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.713 HE22 HD11 ' C' ' 350' ' ' LEU . 28.4 mt-30 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 1.21 109.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.116 0.484 . . . . 1.7 109.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -98.93 159.36 15.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.114 -0.991 . . . . 0.61 109.514 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -139.43 -169.71 2.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.839 . . . . 0.58 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 20.8 p -153.09 158.64 42.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.42 109.54 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.67 132.96 16.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.874 . . . . 0.36 109.475 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.73 33.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 1.37 109.257 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.4 mt -123.61 117.06 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -0.95 . . . . 0.47 109.412 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.36 149.89 42.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 2.1 109.523 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.31 0.94 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.624 -1.39 . . . . 0.42 109.624 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -68.75 -47.14 67.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -1.126 . . . . 2.68 109.55 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.06 -48.19 80.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 2.22 109.625 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.53 -38.25 83.83 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.325 -0.86 . . . . 2.77 109.567 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' A' ' 332' ' ' ILE . 65.9 t80 -54.97 -54.41 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.43 109.776 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.51 50.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.66 110.026 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -62.98 -48.08 80.37 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.13 -0.981 . . . . 0.44 110.197 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.456 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.2 m-85 -60.86 -51.98 67.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.29 109.321 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.13 -38.62 53.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.346 -0.846 . . . . 2.44 109.737 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.22 97.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.105 -0.997 . . . . 1.74 109.959 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 54.4 mt -62.02 -44.06 97.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -0.854 . . . . 0.3 109.486 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -47.55 82.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.314 -0.866 . . . . 1.22 109.674 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.61 -34.17 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 1.72 109.818 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -55.9 28.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.27 109.807 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.15 -35.86 78.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.29 109.314 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.88 -39.13 84.27 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 1.91 109.338 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' B' ' 354' ' ' GLN . 12.7 tp -63.83 -39.04 93.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.41 109.376 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.67 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.355 -0.841 . . . . 1.56 108.943 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.29 -30.66 60.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.76 -0.588 . . . . 1.43 109.576 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.59 -49.12 69.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.66 109.381 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.739 ' OE1' HD21 ' B' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.913 . . . . 1.18 109.444 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.031 0.444 . . . . 1.61 109.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -99.01 159.42 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.162 -0.961 . . . . 0.57 109.478 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 70.0 m-85 -139.43 -169.72 2.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.348 -0.845 . . . . 0.53 109.38 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.6 p -153.09 158.69 42.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.976 . . . . 0.38 109.502 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.71 133.0 16.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.893 . . . . 0.36 109.497 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.92 134.78 33.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.256 -0.903 . . . . 1.36 109.262 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.0 mt -123.78 116.98 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.107 -0.995 . . . . 0.49 109.385 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -73.29 149.92 42.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.899 . . . . 2.1 109.535 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.09 122.22 0.94 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.627 -1.389 . . . . 0.44 109.627 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -68.7 -47.08 67.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -1.132 . . . . 2.72 109.62 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -58.02 -48.35 80.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.958 . . . . 2.21 109.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.43 -38.28 83.6 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.334 -0.854 . . . . 2.79 109.526 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.599 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.6 t80 -54.95 -54.49 42.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.435 -0.791 . . . . 0.45 109.724 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.46 49.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 1.68 110.077 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.01 -48.06 80.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.097 -1.002 . . . . 0.43 110.248 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.4 m-85 -60.94 -51.89 67.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.28 109.359 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -51.03 -38.79 53.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.33 -0.856 . . . . 2.52 109.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.99 -44.23 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.198 -0.939 . . . . 1.75 109.96 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 54.2 mt -62.15 -43.77 98.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -0.853 . . . . 0.31 109.574 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.11 -47.43 83.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 1.21 109.693 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.65 -34.16 76.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 1.69 109.792 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -55.82 29.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.27 109.821 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.21 -35.85 78.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.37 -0.831 . . . . 0.3 109.341 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.327 -0.858 . . . . 1.93 109.383 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.739 HD21 ' OE1' ' A' ' 354' ' ' GLN . 12.7 tp -63.96 -39.0 93.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 0.4 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.05 -49.64 75.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 1.59 108.966 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.28 -30.59 60.42 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.64 -0.663 . . . . 1.43 109.663 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.73 -49.15 69.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.65 109.397 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.268 -0.895 . . . . 1.19 109.597 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.061 0.458 . . . . 2.11 109.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -99.04 159.41 14.99 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.078 -1.014 . . . . 0.64 109.401 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -139.45 -169.68 2.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.49 109.38 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 20.7 p -153.12 158.58 42.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.47 109.603 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.61 133.07 16.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.337 -0.852 . . . . 0.42 109.397 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 134.73 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.81 109.359 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.604 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.5 mt -123.71 116.91 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.178 -0.951 . . . . 0.42 109.473 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.12 149.88 42.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 2.35 109.506 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.15 122.09 0.94 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.638 -1.385 . . . . 0.41 109.638 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -68.53 -47.17 67.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -1.137 . . . . 2.59 109.665 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.96 -48.28 80.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 2.54 109.608 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.52 -38.23 83.74 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.349 -0.844 . . . . 3.39 109.469 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.4 t80 -55.05 -54.4 43.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.436 -0.79 . . . . 0.47 109.681 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.54 -37.52 49.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.371 -0.831 . . . . 1.66 110.044 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.02 -47.98 80.73 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.158 -0.964 . . . . 0.61 110.228 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.2 m-85 -60.95 -51.9 67.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.33 109.382 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.1 -38.67 53.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 3.28 109.734 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.02 -44.25 97.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.966 . . . . 1.78 109.929 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' D' ' 344' ' ' LEU . 54.2 mt -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.154 -0.966 . . . . 0.38 109.5 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -57.98 -47.41 83.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 1.2 109.797 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.67 -34.2 76.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 2.12 109.718 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.91 -55.78 29.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.26 109.781 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.21 -35.98 78.65 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.24 -0.912 . . . . 0.4 109.214 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.79 -39.18 84.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 2.09 109.373 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.565 HD21 ' OE1' ' D' ' 354' ' ' GLN . 12.7 tp -63.7 -39.24 93.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -0.86 . . . . 0.75 109.33 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.65 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.875 . . . . 2.19 109.073 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.15 -30.7 60.37 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.63 -0.669 . . . . 1.34 109.706 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -49.0 70.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.222 -0.924 . . . . 0.72 109.429 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.628 ' OE1' HD21 ' D' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.862 . . . . 1.8 109.536 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.105 0.479 . . . . 1.67 109.971 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -98.86 159.39 14.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.051 -1.031 . . . . 0.61 109.554 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.1 m-85 -139.4 -169.74 2.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.56 109.409 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.1 158.53 42.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.115 -0.991 . . . . 0.43 109.604 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.64 132.99 16.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.294 -0.879 . . . . 0.35 109.458 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.78 33.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.915 . . . . 1.37 109.303 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.596 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.77 117.03 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.131 -0.98 . . . . 0.48 109.395 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -73.27 149.84 42.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 2.08 109.527 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.17 121.99 0.93 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.691 -1.364 . . . . 0.4 109.691 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -68.47 -47.08 68.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 2.64 109.764 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.04 -48.13 81.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.923 . . . . 2.22 109.731 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.6 -38.24 84.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.213 -0.93 . . . . 2.74 109.491 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' D' ' 332' ' ' ILE . 65.7 t80 -55.0 -54.38 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.43 109.797 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.54 -37.45 49.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 1.69 110.081 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -63.15 -48.03 80.17 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.152 -0.968 . . . . 0.43 110.126 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.3 m-85 -60.9 -51.96 67.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.27 109.383 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.01 -38.79 53.48 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.407 -0.808 . . . . 2.45 109.685 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.18 97.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.174 -0.954 . . . . 1.75 109.939 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' C' ' 344' ' ' LEU . 54.6 mt -62.13 -43.9 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.31 109.556 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.09 -47.4 83.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.171 -0.956 . . . . 1.22 109.679 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.78 -34.08 76.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.73 109.661 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -55.95 27.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 0.28 109.801 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.97 -35.95 78.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.43 -0.794 . . . . 0.31 109.454 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.83 -39.23 84.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.91 109.333 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.628 HD21 ' OE1' ' C' ' 354' ' ' GLN . 12.7 tp -63.79 -39.08 93.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.43 109.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -49.64 75.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 1.57 108.986 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.27 -30.74 60.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.712 -0.617 . . . . 1.44 109.619 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.13 70.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.64 109.46 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.565 ' OE1' HD21 ' C' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.21 109.539 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.581 -0.525 . . . . 1.7 109.581 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.05 161.58 14.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.303 -0.873 . . . . 0.61 109.545 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.5 m-85 -138.84 -171.56 3.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.58 109.387 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 328' ' ' PHE . 9.4 p -154.96 152.62 29.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.42 109.616 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.26 129.77 15.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.36 109.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 13.7 tt0 -86.44 134.9 33.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 1.37 109.527 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 28.0 mt -123.71 115.23 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.47 109.413 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 141.74 46.39 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 2.1 109.669 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.85 -1.3 . . . . 0.42 109.85 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.2 OUTLIER -70.78 -50.6 34.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.68 109.355 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.76 -44.52 90.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.257 -0.902 . . . . 2.22 109.611 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH1' ' CG ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -44.95 86.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.174 -0.954 . . . . 2.77 109.928 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.647 ' HD1' HD12 ' A' ' 332' ' ' ILE . 25.7 t80 -55.26 -58.8 6.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.43 109.712 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -50.91 -34.92 30.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.169 -0.957 . . . . 1.66 110.016 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.73 -52.38 57.36 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.189 -0.944 . . . . 0.44 110.517 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -60.91 -54.38 45.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.148 -0.97 . . . . 0.29 109.363 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.27 -36.75 32.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.414 -0.804 . . . . 2.44 109.435 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.218 -0.926 . . . . 1.74 109.641 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' B' ' 344' ' ' LEU . 72.5 mt -62.33 -46.27 89.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -0.845 . . . . 0.3 109.608 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.39 -43.72 88.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 1.22 109.923 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -39.21 93.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.882 . . . . 1.72 109.978 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.88 -53.52 56.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 0.27 110.037 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.29 -39.55 90.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 0.29 109.774 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.0 -37.56 82.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.91 109.823 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.789 HD21 ' NE2' ' B' ' 354' ' ' GLN . 28.1 tp -64.53 -43.4 94.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.41 109.81 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 35.2 ttmt -63.53 -44.91 92.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.878 . . . . 1.56 108.9 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.84 -36.24 72.01 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.646 -0.658 . . . . 1.43 109.619 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.04 72.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.461 -0.775 . . . . 0.66 109.865 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.791 ' NE2' HD21 ' B' ' 350' ' ' LEU . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.18 109.626 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 1.61 109.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -93.22 161.56 14.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 0.57 109.461 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.5 m-85 -138.81 -171.59 3.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.53 109.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.2 p -154.99 152.67 29.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.38 109.669 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.76 15.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.389 -0.819 . . . . 0.36 109.335 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 13.8 tt0 -86.35 134.94 33.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 1.36 109.538 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.664 HD13 ' HB2' ' B' ' 341' ' ' PHE . 27.7 mt -123.73 115.2 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.49 109.449 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 141.7 46.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 2.1 109.588 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.61 133.75 8.0 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.853 -1.299 . . . . 0.44 109.853 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.2 OUTLIER -70.84 -50.66 32.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.347 -1.09 . . . . 2.72 109.32 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.355 -0.841 . . . . 2.21 109.606 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -45.01 85.7 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 2.79 109.925 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.656 ' HD1' HD12 ' B' ' 332' ' ' ILE . 25.9 t80 -55.21 -58.76 6.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.236 -0.915 . . . . 0.45 109.744 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -50.98 -34.97 31.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.68 109.995 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.63 -52.45 57.31 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.084 -1.01 . . . . 0.43 110.496 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.9 m-85 -60.87 -54.46 44.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.108 -0.995 . . . . 0.28 109.331 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -50.15 -36.72 31.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.306 -0.871 . . . . 2.52 109.526 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.31 -43.98 97.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 1.75 109.761 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' A' ' 344' ' ' LEU . 72.4 mt -62.3 -46.2 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.328 -0.858 . . . . 0.31 109.691 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.45 -43.76 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 1.21 109.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -63.54 -39.2 93.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.833 . . . . 1.69 109.943 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.98 -53.41 58.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 0.27 110.068 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.42 -39.45 90.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.3 109.709 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.05 -37.52 82.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 1.93 109.899 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.791 HD21 ' NE2' ' A' ' 354' ' ' GLN . 28.0 tp -64.55 -43.3 94.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.4 109.857 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -63.51 -45.1 92.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.272 -0.892 . . . . 1.59 108.903 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.672 -0.643 . . . . 1.43 109.609 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -32.09 72.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.373 -0.829 . . . . 0.65 109.824 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 350' ' ' LEU . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 1.19 109.646 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.554 -0.535 . . . . 2.11 109.554 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -93.17 161.68 14.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.879 . . . . 0.64 109.497 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.5 m-85 -138.94 -171.61 3.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.49 109.301 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.491 HG23 ' O ' ' C' ' 328' ' ' PHE . 9.2 p -155.03 152.64 29.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.087 -1.008 . . . . 0.47 109.735 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.3 129.7 15.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.42 109.448 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 13.9 tt0 -86.36 134.89 33.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.318 -0.864 . . . . 1.81 109.617 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' C' ' 341' ' ' PHE . 27.8 mt -123.7 115.37 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -0.925 . . . . 0.42 109.352 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.92 141.68 45.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 2.35 109.588 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.64 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.848 -1.301 . . . . 0.41 109.848 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.2 OUTLIER -70.79 -50.64 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.395 -1.062 . . . . 2.59 109.36 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.49 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 2.54 109.651 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' CG ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -44.9 86.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.179 -0.951 . . . . 3.39 109.936 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.664 ' HD1' HD12 ' C' ' 332' ' ' ILE . 25.6 t80 -55.25 -58.74 6.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.47 109.756 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -50.95 -34.95 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.66 110.03 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.72 -52.34 57.59 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.218 -0.926 . . . . 0.61 110.502 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.05 -54.27 46.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.33 109.39 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.24 -36.75 32.46 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.314 -0.867 . . . . 3.28 109.438 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.28 -44.01 97.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 1.78 109.7 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' D' ' 344' ' ' LEU . 72.0 mt -62.35 -46.2 89.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.38 109.584 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.41 -43.85 88.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.315 -0.866 . . . . 1.2 109.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.43 -39.26 94.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.352 -0.842 . . . . 2.12 110.033 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -53.43 58.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -0.886 . . . . 0.26 110.096 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.39 -39.52 90.99 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.333 -0.854 . . . . 0.4 109.782 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.07 -37.47 82.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 2.09 109.883 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' D' ' 354' ' ' GLN . 28.0 tp -64.5 -43.36 94.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 0.75 109.881 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.46 -44.97 92.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.386 -0.821 . . . . 2.19 109.021 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.75 -36.31 71.9 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.616 -0.677 . . . . 1.34 109.696 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.13 72.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.851 . . . . 0.72 109.908 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' D' ' 350' ' ' LEU . 5.3 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.12 -0.988 . . . . 1.8 109.633 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.562 -0.533 . . . . 1.67 109.562 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -93.16 161.67 14.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.61 109.462 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.86 -171.6 3.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.56 109.426 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.1 p -155.0 152.66 29.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.94 . . . . 0.43 109.625 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.79 15.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.35 109.398 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 13.8 tt0 -86.36 135.1 33.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.37 109.497 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 341' ' ' PHE . 27.9 mt -123.9 115.34 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.48 109.325 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.81 141.71 46.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.279 -0.888 . . . . 2.08 109.615 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.58 133.76 8.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -70.67 -50.73 33.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.364 -1.08 . . . . 2.64 109.381 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.51 90.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.22 109.584 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' CG ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.7 -44.89 86.2 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.157 -0.965 . . . . 2.74 109.933 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.666 ' HD1' HD12 ' D' ' 332' ' ' ILE . 26.0 t80 -55.32 -58.75 6.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.43 109.665 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -50.89 -35.06 30.91 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 1.69 109.961 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.61 -52.37 57.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.543 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.9 m-85 -61.01 -54.38 45.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.145 -0.972 . . . . 0.27 109.325 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.3 -36.75 33.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.393 -0.817 . . . . 2.45 109.438 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.23 -44.08 97.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.212 -0.93 . . . . 1.75 109.706 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' C' ' 344' ' ' LEU . 72.7 mt -62.28 -46.13 90.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.31 109.712 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.5 -43.75 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 1.22 109.91 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -39.16 93.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.333 -0.854 . . . . 1.73 110.071 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -53.48 57.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.28 110.087 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.36 -39.65 91.38 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.223 -0.923 . . . . 0.31 109.728 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.85 -37.58 82.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.232 -0.918 . . . . 1.91 109.937 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' C' ' 354' ' ' GLN . 28.0 tp -64.54 -43.31 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.43 109.816 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.41 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.2 ttmt -63.6 -45.06 92.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.294 -0.879 . . . . 1.57 108.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.57 -36.36 71.59 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.371 0.605 . . . . 1.44 109.655 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.09 72.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.64 109.876 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' C' ' 350' ' ' LEU . 5.4 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.127 -0.983 . . . . 1.21 109.653 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.225 0.536 . . . . 1.7 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -94.3 157.9 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.61 109.541 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.96 -171.78 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.182 -0.949 . . . . 0.58 109.435 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.518 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.5 p -153.37 161.02 42.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -0.931 . . . . 0.42 109.512 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.22 131.91 16.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.36 109.489 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.87 132.39 34.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.893 . . . . 1.37 109.583 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' A' ' 338' ' ' PHE . 36.1 mt -123.8 121.76 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.9 . . . . 0.47 109.248 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.16 151.47 41.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.163 -0.961 . . . . 2.1 109.537 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.88 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.76 -1.336 . . . . 0.42 109.76 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.7 ttt180 -81.07 -48.54 12.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -1.14 . . . . 2.68 109.416 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.71 -46.66 84.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.236 -0.915 . . . . 2.22 109.203 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.779 HH12 HD22 ' C' ' 348' ' ' LEU . 7.3 tpp180 -62.45 -42.27 99.35 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.233 -0.917 . . . . 2.77 109.322 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' A' ' 332' ' ' ILE . 57.1 t80 -54.09 -49.44 69.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.367 -0.833 . . . . 0.43 109.508 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.07 -37.07 52.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 1.66 109.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 14.4 ttp -62.5 -46.69 87.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.242 -0.912 . . . . 0.44 109.965 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -61.34 -54.35 44.92 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.223 -0.923 . . . . 0.29 109.232 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.5 -34.96 27.12 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.463 -0.773 . . . . 2.44 109.415 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 340' ' ' MET . 11.3 tt0 -59.89 -49.86 76.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 1.74 109.578 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' B' ' 344' ' ' LEU . 90.9 mt -61.0 -34.6 75.07 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.3 108.813 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.55 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.0 t-20 -58.88 -53.88 53.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.433 -0.792 . . . . 1.22 109.662 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.54 -36.4 80.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 1.72 110.046 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.56 -53.18 61.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.285 -0.885 . . . . 0.27 110.035 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.685 HD22 HH12 ' C' ' 337' ' ' ARG . 46.8 mt -61.08 -41.26 96.33 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.359 -0.838 . . . . 0.29 109.533 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.64 -35.26 77.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.166 -0.959 . . . . 1.91 109.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.06 -52.61 58.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.41 109.547 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . 27.1 ttmt -60.84 -43.33 98.45 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.484 -0.76 . . . . 1.56 109.421 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.5 -36.24 73.49 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.661 -0.649 . . . . 1.43 110.063 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.48 73.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.66 109.596 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.924 . . . . 1.18 109.55 179.769 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.285 0.564 . . . . 1.61 109.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.22 157.93 15.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.57 109.538 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.98 -171.76 3.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.206 -0.934 . . . . 0.53 109.503 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 4.6 p -153.28 161.25 42.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.38 109.58 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.52 131.69 16.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.908 . . . . 0.36 109.487 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.9 tt0 -85.61 132.45 34.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 1.36 109.63 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.0 mt -123.83 121.67 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.49 109.337 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.14 151.42 41.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 2.1 109.544 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.8 1.9 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.8 ttt180 -80.9 -48.69 12.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.24 -1.153 . . . . 2.72 109.36 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.326 -0.859 . . . . 2.21 109.197 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.701 HH12 HD22 ' D' ' 348' ' ' LEU . 7.3 tpp180 -62.51 -42.13 99.3 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.341 -0.849 . . . . 2.79 109.351 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 332' ' ' ILE . 56.4 t80 -54.21 -49.37 69.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.402 -0.811 . . . . 0.45 109.416 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.03 -37.07 52.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 1.68 109.82 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 14.4 ttp -62.53 -46.72 87.12 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.244 -0.91 . . . . 0.43 109.964 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.567 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.2 m-85 -61.43 -54.32 45.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.233 -0.917 . . . . 0.28 109.226 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.41 -35.02 26.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 2.52 109.489 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' B' ' 340' ' ' MET . 11.2 tt0 -59.84 -49.85 76.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 1.75 109.54 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 344' ' ' LEU . 89.7 mt -61.14 -34.67 75.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.3 -0.875 . . . . 0.31 108.648 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.531 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.1 t-20 -58.74 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 1.21 109.641 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.57 -36.48 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.349 -0.845 . . . . 1.69 109.94 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -53.1 61.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.237 -0.915 . . . . 0.27 109.991 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.835 HD22 HH12 ' D' ' 337' ' ' ARG . 45.6 mt -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.372 -0.83 . . . . 0.3 109.594 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.84 -35.31 77.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.194 -0.941 . . . . 1.93 109.822 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.07 -52.56 58.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.191 -0.943 . . . . 0.4 109.602 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.83 -43.32 98.42 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.406 -0.809 . . . . 1.59 109.459 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.6 -36.11 73.5 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.662 -0.649 . . . . 1.43 110.02 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.56 74.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.65 109.503 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 1.19 109.475 179.805 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.264 0.554 . . . . 2.11 109.579 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -94.29 157.89 15.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.64 109.497 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -139.03 -171.72 3.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.49 109.497 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 4.6 p -153.3 161.33 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.91 . . . . 0.47 109.497 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.62 131.75 16.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.347 -0.846 . . . . 0.42 109.436 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.9 tt0 -85.79 132.52 34.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 1.81 109.547 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.2 mt -123.95 121.69 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.42 109.256 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.17 151.43 41.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.234 -0.916 . . . . 2.35 109.509 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.44 135.79 1.91 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.749 -1.34 . . . . 0.41 109.749 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.8 ttt180 -80.95 -48.65 12.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -1.071 . . . . 2.59 109.36 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.69 -46.63 84.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.298 -0.877 . . . . 2.54 109.296 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.685 HH12 HD22 ' A' ' 348' ' ' LEU . 7.4 tpp180 -62.48 -42.11 99.25 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.249 -0.907 . . . . 3.39 109.387 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' C' ' 332' ' ' ILE . 56.3 t80 -54.22 -49.32 69.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.47 109.433 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.09 -37.12 52.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -0.822 . . . . 1.66 109.78 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 14.6 ttp -62.41 -46.91 86.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.236 -0.915 . . . . 0.61 109.906 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.571 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.2 m-85 -61.3 -54.29 45.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.133 -0.979 . . . . 0.33 109.284 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.47 -35.08 27.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.384 -0.823 . . . . 3.28 109.341 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.431 ' HG3' ' NZ ' ' D' ' 351' ' ' LYS . 11.4 tt0 -59.79 -49.96 75.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.188 -0.945 . . . . 1.78 109.54 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' D' ' 344' ' ' LEU . 90.3 mt -60.96 -34.67 75.11 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.177 -0.952 . . . . 0.38 108.779 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.1 t-20 -58.73 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.332 -0.855 . . . . 1.2 109.662 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -36.53 81.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 2.12 109.961 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.35 -53.33 59.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.188 -0.945 . . . . 0.26 110.079 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.779 HD22 HH12 ' A' ' 337' ' ' ARG . 46.2 mt -61.06 -41.27 96.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 0.4 109.602 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -35.29 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.008 . . . . 2.09 109.877 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.442 HD11 ' OE1' ' D' ' 354' ' ' GLN . 27.2 tp -64.07 -52.65 58.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.75 109.506 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 27.1 ttmt -60.81 -43.43 98.19 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.317 -0.864 . . . . 2.19 109.413 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.56 -36.1 73.39 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.586 -0.696 . . . . 1.34 110.119 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.53 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.163 -0.961 . . . . 0.72 109.544 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.442 ' OE1' HD11 ' D' ' 350' ' ' LEU . 45.3 mt-30 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 1.8 109.464 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.542 -0.54 . . . . 1.67 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -94.04 157.95 15.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 0.61 109.489 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.1 m-85 -138.92 -171.77 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.069 -1.019 . . . . 0.56 109.461 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 4.5 p -153.18 161.27 42.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.159 -0.963 . . . . 0.43 109.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.43 131.7 16.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.35 109.517 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.9 tt0 -85.69 132.37 34.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.37 109.607 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.69 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.8 mt -123.84 121.79 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.48 109.27 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.19 151.45 41.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 2.08 109.601 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.79 1.9 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.793 -1.323 . . . . 0.4 109.793 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.7 ttt180 -80.82 -48.71 12.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -1.112 . . . . 2.64 109.48 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.77 -46.55 84.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.204 -0.935 . . . . 2.22 109.223 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.835 HH12 HD22 ' B' ' 348' ' ' LEU . 7.4 tpp180 -62.44 -42.28 99.34 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.194 -0.941 . . . . 2.74 109.276 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.69 ' CD1' HD12 ' D' ' 332' ' ' ILE . 56.9 t80 -54.11 -49.48 69.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.805 . . . . 0.43 109.422 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -51.97 -37.05 51.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.287 -0.883 . . . . 1.69 109.772 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 14.6 ttp -62.59 -46.73 86.97 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.076 -1.015 . . . . 0.43 109.885 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.41 -54.27 45.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.132 -0.98 . . . . 0.27 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -50.5 -35.02 27.32 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.448 -0.782 . . . . 2.45 109.399 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 11.3 tt0 -59.79 -49.96 75.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 1.75 109.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' C' ' 344' ' ' LEU . 90.8 mt -60.99 -34.66 75.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.306 -0.871 . . . . 0.31 108.764 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.1 t-20 -58.73 -53.93 52.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.37 -0.832 . . . . 1.22 109.674 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.68 -36.39 80.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.83 . . . . 1.73 109.928 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.42 -53.29 59.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.277 -0.889 . . . . 0.28 110.068 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.701 HD22 HH12 ' B' ' 337' ' ' ARG . 47.2 mt -61.1 -41.2 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.31 109.502 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.63 -35.28 77.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.062 -1.024 . . . . 1.91 109.879 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.442 HD11 ' OE1' ' C' ' 354' ' ' GLN . 27.3 tp -64.06 -52.72 58.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.43 109.563 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.431 ' NZ ' ' HG3' ' C' ' 343' ' ' GLU . 27.0 ttmt -60.69 -43.53 97.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.264 -0.897 . . . . 1.57 109.424 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.45 -36.1 73.14 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.669 -0.644 . . . . 1.44 110.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.51 74.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.64 109.529 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.442 ' OE1' HD11 ' C' ' 350' ' ' LEU . 45.3 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.176 -0.952 . . . . 1.21 109.448 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.464 -0.569 . . . . 1.7 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.74 155.94 16.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.88 . . . . 0.61 109.581 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.15 -170.21 2.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.58 109.49 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 29.0 p -154.2 158.61 40.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.42 109.554 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.76 129.13 13.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.36 109.53 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.14 129.49 34.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.261 -0.899 . . . . 1.37 109.62 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 341' ' ' PHE . 35.1 mt -124.03 121.27 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.07 -1.019 . . . . 0.47 109.396 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.68 150.5 41.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.1 109.668 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.67 134.43 6.31 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.83 -1.308 . . . . 0.42 109.83 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.9 ttm180 -79.4 -54.91 5.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 2.68 109.331 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.0 -41.81 88.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 2.22 109.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.68 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.2 tpp180 -62.45 -44.21 96.97 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.334 -0.853 . . . . 2.77 109.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' C' ' 329' ' ' THR . 78.4 t80 -55.1 -48.69 73.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.43 109.55 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.99 -36.99 51.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.66 109.929 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.1 ttp -62.82 -46.29 88.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.193 -0.942 . . . . 0.44 109.925 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.1 m-85 -61.26 -50.42 73.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.29 109.187 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.21 59.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.431 -0.793 . . . . 2.44 109.631 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.92 -49.04 78.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.081 -1.012 . . . . 1.74 109.637 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' B' ' 344' ' ' LEU . 95.1 mt -61.7 -33.12 73.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.3 108.95 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.22 60.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.323 -0.86 . . . . 1.22 109.501 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.13 78.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.364 -0.835 . . . . 1.72 110.075 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.27 -51.88 67.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.27 109.919 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.703 HD22 HH12 ' C' ' 337' ' ' ARG . 53.9 mt -61.8 -43.14 99.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.304 -0.873 . . . . 0.29 109.585 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.5 -34.52 72.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.91 109.573 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 350' ' ' LEU . 13.4 tp -64.61 -44.65 89.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.41 109.452 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.99 -46.84 87.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 1.56 109.102 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.54 -33.48 66.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.627 -0.671 . . . . 1.43 109.666 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.84 73.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.66 109.662 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.18 109.699 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.314 0.578 . . . . 1.61 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -93.87 155.91 16.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.57 109.578 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.5 m-85 -139.18 -170.23 2.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.53 109.43 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.462 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 29.2 p -154.21 158.6 40.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.38 109.528 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.7 129.17 13.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.36 109.52 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -87.13 129.63 34.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 1.36 109.651 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' B' ' 341' ' ' PHE . 34.6 mt -124.17 121.22 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.49 109.324 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.59 150.51 41.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.1 109.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.6 134.45 6.28 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.797 -1.321 . . . . 0.44 109.797 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.9 ttm180 -79.36 -54.97 5.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 2.72 109.41 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.88 -42.05 88.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.473 -0.767 . . . . 2.21 109.603 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.534 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.2 tpp180 -62.08 -44.34 96.88 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.244 -0.91 . . . . 2.79 109.286 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' D' ' 329' ' ' THR . 78.2 t80 -55.1 -48.69 73.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.491 -0.756 . . . . 0.45 109.571 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.01 -36.93 51.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 1.68 110.028 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.79 -46.37 88.32 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.191 -0.943 . . . . 0.43 109.92 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.625 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.6 m-85 -61.1 -50.52 72.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.28 109.249 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.14 59.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.383 -0.823 . . . . 2.52 109.644 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.96 -49.12 77.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -0.968 . . . . 1.75 109.61 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' A' ' 344' ' ' LEU . 94.9 mt -61.49 -33.31 73.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.132 -0.98 . . . . 0.31 108.97 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.94 -53.28 59.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 1.21 109.458 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.18 78.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.362 -0.836 . . . . 1.69 109.959 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -51.85 67.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.27 109.992 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.648 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.81 -43.23 99.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 0.3 109.59 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.59 -34.4 72.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.93 109.593 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 350' ' ' LEU . 13.4 tp -64.57 -44.68 89.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.4 109.477 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -62.01 -46.8 87.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.461 -0.774 . . . . 1.59 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.66 -33.48 66.41 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.464 -0.772 . . . . 1.43 109.619 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -46.78 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.65 109.584 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 1.19 109.809 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.544 -0.539 . . . . 2.11 109.544 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.71 155.92 16.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.346 -0.846 . . . . 0.64 109.486 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.8 m-85 -139.03 -170.17 2.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.49 109.485 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 29.6 p -154.26 158.57 40.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.47 109.652 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.68 129.11 13.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.855 . . . . 0.42 109.58 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.18 129.5 34.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.869 . . . . 1.81 109.664 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' C' ' 341' ' ' PHE . 34.5 mt -123.99 121.24 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.42 109.381 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.61 150.51 41.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 2.35 109.707 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.73 134.31 6.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.9 ttm180 -79.29 -55.02 5.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -1.151 . . . . 2.59 109.395 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.0 -41.91 88.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 2.54 109.591 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.703 HH12 HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -62.02 -44.49 96.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.33 -0.856 . . . . 3.39 109.322 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -55.13 -48.66 73.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.808 . . . . 0.47 109.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.94 -37.03 51.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.66 109.98 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.75 -46.34 88.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.221 -0.924 . . . . 0.61 109.961 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.14 -50.52 72.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.253 -0.904 . . . . 0.33 109.26 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.53 -40.22 59.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.395 -0.816 . . . . 3.28 109.581 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.93 -49.09 77.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.78 109.61 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' D' ' 344' ' ' LEU . 94.9 mt -61.59 -33.22 73.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.38 108.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.406 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.99 -53.16 61.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.435 -0.791 . . . . 1.2 109.515 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 0.4 OUTLIER -62.49 -35.23 78.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.413 -0.804 . . . . 2.12 110.003 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.17 -51.71 68.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.26 110.052 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.68 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.3 mt -61.96 -43.1 99.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.4 109.547 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.5 -34.49 72.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.368 -0.833 . . . . 2.09 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' C' ' 350' ' ' LEU . 13.4 tp -64.66 -44.69 89.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.352 -0.843 . . . . 0.75 109.403 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.87 -46.92 87.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -0.858 . . . . 2.19 109.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.59 -33.44 66.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.582 -0.699 . . . . 1.34 109.676 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.88 73.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.378 -0.826 . . . . 0.72 109.612 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.402 ' OE1' HD21 ' D' ' 350' ' ' LEU . 7.0 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.8 109.694 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.336 0.589 . . . . 1.67 109.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -93.76 155.92 16.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.61 109.575 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.8 m-85 -139.13 -169.96 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.56 109.504 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.517 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 28.8 p -154.39 158.59 40.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.153 -0.967 . . . . 0.43 109.482 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -148.72 129.24 13.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.35 109.496 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.7 tt0 -87.23 129.56 34.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.37 109.625 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.624 HD13 ' CD2' ' D' ' 341' ' ' PHE . 34.5 mt -124.04 121.26 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.163 -0.961 . . . . 0.48 109.341 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 150.56 41.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 2.08 109.75 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.69 134.36 6.29 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.836 -1.306 . . . . 0.4 109.836 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.8 ttm180 -79.41 -54.9 5.48 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.332 -1.099 . . . . 2.64 109.376 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -58.92 -41.94 88.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.421 -0.8 . . . . 2.22 109.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.648 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.2 tpp180 -62.25 -44.27 96.93 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.288 -0.883 . . . . 2.74 109.279 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' B' ' 329' ' ' THR . 78.0 t80 -55.11 -48.72 73.23 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.818 . . . . 0.43 109.555 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.85 -37.1 50.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.34 -0.85 . . . . 1.69 109.96 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.74 -46.27 88.85 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.171 -0.956 . . . . 0.43 109.98 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.624 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.3 m-85 -61.24 -50.56 72.55 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.142 -0.974 . . . . 0.27 109.142 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -51.52 -40.28 59.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.446 -0.784 . . . . 2.45 109.55 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.8 -49.11 77.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.75 109.654 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' C' ' 344' ' ' LEU . 94.9 mt -61.6 -33.24 73.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.224 -0.922 . . . . 0.31 109.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.89 -53.21 60.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.382 -0.824 . . . . 1.22 109.551 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -34.95 77.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 1.73 110.03 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -51.81 67.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.28 109.98 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.534 HD22 ' NH1' ' B' ' 337' ' ' ARG . 53.3 mt -61.78 -43.21 99.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.381 -0.824 . . . . 0.31 109.565 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -59.49 -34.46 72.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 1.91 109.587 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' D' ' 350' ' ' LEU . 13.4 tp -64.7 -44.6 89.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.43 109.527 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 36.5 ttmt -61.88 -46.93 87.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 1.57 109.114 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.55 -33.52 66.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.464 -0.773 . . . . 1.44 109.679 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.76 73.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.64 109.611 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 1.21 109.74 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.299 0.571 . . . . 1.7 109.694 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.1 m-85 -92.89 159.6 15.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.61 109.261 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -139.11 -171.81 3.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.094 -1.004 . . . . 0.58 109.756 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 10.8 p -153.14 158.74 42.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.42 109.511 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -147.75 132.52 17.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.36 109.387 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.1 tt0 -85.94 133.41 33.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.37 109.423 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.6 mt -123.95 117.72 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.47 109.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.472 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.82 133.52 43.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.1 109.551 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.419 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 101.7 129.92 6.85 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.763 -1.335 . . . . 0.42 109.763 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -77.27 -51.23 11.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 2.68 109.232 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.62 -45.83 88.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.414 -0.804 . . . . 2.22 109.278 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.987 ' NH1' HD13 ' C' ' 348' ' ' LEU . 9.8 tpp180 -62.28 -40.94 97.91 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 108.909 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 332' ' ' ILE . 73.3 t80 -55.68 -47.37 76.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.364 -0.835 . . . . 0.43 109.5 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.51 -40.5 59.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 1.66 109.824 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.03 -44.95 95.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.44 110.264 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.491 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.33 -54.58 41.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.29 109.485 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.09 -37.49 34.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.335 -0.853 . . . . 2.44 109.597 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -45.27 95.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.74 109.827 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' B' ' 344' ' ' LEU . 63.3 mt -61.78 -43.64 98.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.3 109.616 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.454 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.7 t-20 -58.16 -46.2 86.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 1.22 109.804 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.95 -37.51 87.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 1.72 109.967 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.81 -51.73 68.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.27 109.988 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.929 HD13 ' NH1' ' C' ' 337' ' ' ARG . 69.5 mt -61.27 -42.75 99.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.314 -0.866 . . . . 0.29 109.937 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.15 -37.55 80.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.28 -0.888 . . . . 1.91 109.636 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.75 -41.62 95.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.41 109.354 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -45.97 91.16 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.769 0.795 . . . . 1.56 109.145 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.23 -31.06 61.19 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.706 -0.621 . . . . 1.43 109.594 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.21 85.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.855 . . . . 0.66 109.378 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.484 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.18 109.42 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.352 0.596 . . . . 1.61 109.715 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.61 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.57 109.2 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -139.02 -171.75 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.53 109.765 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 10.6 p -153.18 158.72 42.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.38 109.447 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -147.79 132.43 17.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.273 -0.892 . . . . 0.36 109.474 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.1 tt0 -85.86 133.41 33.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.902 . . . . 1.36 109.504 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.664 HD12 ' CD1' ' B' ' 338' ' ' PHE . 35.7 mt -123.96 117.77 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 0.49 109.532 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.475 ' CG ' ' NH1' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -73.87 133.56 43.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 2.1 109.449 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.42 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 101.64 129.86 6.83 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -77.21 -51.14 11.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -1.15 . . . . 2.72 109.304 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.8 -45.73 89.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.4 -0.812 . . . . 2.21 109.239 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.903 ' NH1' HD13 ' D' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.84 97.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.359 -0.838 . . . . 2.79 108.979 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.664 ' CD1' HD12 ' B' ' 332' ' ' ILE . 73.8 t80 -55.56 -47.57 76.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.43 -0.794 . . . . 0.45 109.503 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.4 -40.6 59.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.443 -0.786 . . . . 1.68 109.815 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.97 -45.03 95.44 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.297 -0.877 . . . . 0.43 110.174 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.484 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.9 m-85 -61.36 -54.39 44.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.996 . . . . 0.28 109.528 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.15 -37.43 34.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.372 -0.83 . . . . 2.52 109.633 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -45.28 95.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 1.75 109.745 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' A' ' 344' ' ' LEU . 63.5 mt -61.77 -43.61 98.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.31 109.614 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.8 t-20 -58.31 -46.16 86.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 1.21 109.776 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.47 87.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.331 -0.855 . . . . 1.69 110.022 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.93 -51.59 68.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.27 110.002 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.967 HD13 ' NH1' ' D' ' 337' ' ' ARG . 69.6 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 0.3 109.858 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.43 79.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.895 . . . . 1.93 109.813 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.66 -41.87 95.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.4 109.263 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 350' ' ' LEU . 0.3 OUTLIER -61.98 -46.23 90.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 1.59 109.086 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.12 -30.83 60.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.646 . . . . 1.43 109.723 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.28 85.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.863 . . . . 0.65 109.362 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 1.19 109.489 179.745 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.323 0.582 . . . . 2.11 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.02 159.67 15.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.94 . . . . 0.64 109.143 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.1 m-85 -139.11 -171.76 3.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 0.49 109.781 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 10.9 p -153.09 158.75 42.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.202 -0.936 . . . . 0.47 109.557 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -147.82 132.45 17.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 0.42 109.442 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.1 tt0 -85.8 133.36 33.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.867 . . . . 1.81 109.495 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.663 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.0 mt -123.92 117.89 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.42 109.511 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.464 ' NH1' ' CG ' ' C' ' 333' ' ' ARG . 0.0 OUTLIER -73.95 133.56 43.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 2.35 109.505 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.423 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 101.66 129.86 6.83 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.911 -1.275 . . . . 0.41 109.911 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -77.2 -51.2 11.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.107 . . . . 2.59 109.276 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.7 -45.72 88.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 2.54 109.318 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.929 ' NH1' HD13 ' A' ' 348' ' ' LEU . 9.8 tpp180 -62.36 -40.92 97.99 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -0.905 . . . . 3.39 108.92 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' C' ' 332' ' ' ILE . 73.9 t80 -55.56 -47.47 76.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.47 109.534 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.37 -40.66 59.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.835 . . . . 1.66 109.877 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.95 -45.09 95.21 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.261 -0.899 . . . . 0.61 110.195 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.2 m-85 -61.18 -54.58 42.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.152 -0.967 . . . . 0.33 109.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.41 34.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.322 -0.861 . . . . 3.28 109.597 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.32 95.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 1.78 109.841 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' D' ' 344' ' ' LEU . 63.4 mt -61.81 -43.54 98.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.235 -0.915 . . . . 0.38 109.607 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.434 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.7 t-20 -58.28 -46.23 86.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.2 109.736 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.45 86.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 2.12 109.937 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.92 -51.62 68.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.26 110.007 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.987 HD13 ' NH1' ' A' ' 337' ' ' ARG . 69.9 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.262 -0.899 . . . . 0.4 109.826 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.47 79.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 2.09 109.765 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.72 -41.76 95.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 0.75 109.253 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -62.0 -46.13 90.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.423 -0.798 . . . . 2.19 109.171 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.21 -30.83 60.75 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.69 -0.631 . . . . 1.34 109.657 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.37 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -0.91 . . . . 0.72 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.879 . . . . 1.8 109.505 179.806 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.267 0.556 . . . . 1.67 109.643 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.63 15.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -0.828 . . . . 0.61 109.181 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.9 m-85 -139.12 -171.73 3.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.56 109.703 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.0 p -153.16 158.6 42.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.43 109.569 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -147.68 132.54 18.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.302 -0.874 . . . . 0.35 109.41 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.9 133.43 33.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 1.37 109.539 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' D' ' 338' ' ' PHE . 35.7 mt -124.0 117.71 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.923 . . . . 0.48 109.486 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.484 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.79 133.53 43.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.08 109.457 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.427 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 101.58 129.91 6.85 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.889 -1.285 . . . . 0.4 109.889 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -77.24 -51.27 11.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -1.118 . . . . 2.64 109.321 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 2.22 109.25 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.967 ' NH1' HD13 ' B' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.92 97.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.264 -0.898 . . . . 2.74 108.936 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' D' ' 332' ' ' ILE . 73.6 t80 -55.61 -47.42 76.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.509 -0.745 . . . . 0.43 109.554 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.45 -40.52 59.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 1.69 109.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -61.97 -45.1 95.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.189 -0.944 . . . . 0.43 110.2 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.21 -54.58 42.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.118 -0.988 . . . . 0.27 109.468 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.31 34.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 2.45 109.682 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -45.25 95.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.923 . . . . 1.75 109.796 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' C' ' 344' ' ' LEU . 63.6 mt -61.74 -43.74 98.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.966 . . . . 0.31 109.552 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' B' ' 330' ' ' LEU . 55.9 t-20 -58.27 -46.16 86.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.324 -0.86 . . . . 1.22 109.789 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.94 -37.48 87.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.215 -0.928 . . . . 1.73 109.95 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.78 -51.63 68.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.28 110.056 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.903 HD13 ' NH1' ' B' ' 337' ' ' ARG . 69.2 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.31 109.877 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.15 -37.38 79.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 1.91 109.732 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.86 -41.7 95.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.43 109.337 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -46.05 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 1.57 109.144 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.2 -30.91 60.91 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.789 -0.57 . . . . 1.44 109.605 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.13 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.383 -0.823 . . . . 0.64 109.312 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.403 ' NE2' HD11 ' C' ' 350' ' ' LEU . 8.9 mt-30 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 1.21 109.441 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.279 -0.637 . . . . 1.7 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.21 158.2 15.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.61 109.651 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.1 m-85 -137.4 -166.86 2.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.254 -0.904 . . . . 0.58 109.324 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.6 p -151.96 159.26 43.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.42 109.418 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.0 tp -146.94 130.34 16.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.36 109.321 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 36.4 tt0 -85.16 131.16 34.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 1.37 109.471 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.483 HD12 ' HD1' ' A' ' 338' ' ' PHE . 29.3 mt -123.8 120.53 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 0.47 109.675 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 21.1 ttt180 -73.83 147.65 43.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.327 -0.858 . . . . 2.1 109.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 134.99 4.81 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.807 -1.317 . . . . 0.42 109.807 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -80.38 -49.78 11.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -1.169 . . . . 2.68 109.49 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.03 -47.72 82.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.22 109.18 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -38.97 83.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.809 . . . . 2.77 109.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.483 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.6 t80 -54.98 -56.39 20.22 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.43 109.542 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.85 -34.73 29.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.66 109.68 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.42 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 9.3 ttp -63.57 -50.51 69.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.312 -0.867 . . . . 0.44 110.047 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.2 m-85 -60.51 -55.2 36.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.16 -0.963 . . . . 0.29 109.185 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.71 -33.61 23.57 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.378 -0.826 . . . . 2.44 109.394 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 340' ' ' MET . 30.2 tt0 -62.34 -46.71 87.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 1.74 109.576 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' B' ' 344' ' ' LEU . 41.7 mt -61.75 -43.26 99.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.362 -0.836 . . . . 0.3 109.443 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -58.14 -48.23 80.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.22 109.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.75 -35.67 80.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.296 -0.878 . . . . 1.72 109.955 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.51 -52.65 64.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.27 109.784 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.43 -38.71 88.13 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.301 -0.874 . . . . 0.29 109.558 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.42 -38.56 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.359 -0.838 . . . . 1.91 109.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.7 tt -64.21 -45.41 88.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.41 109.777 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.491 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -61.07 -39.76 91.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.882 . . . . 1.56 108.983 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.61 -33.96 66.75 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.511 -0.743 . . . . 1.43 109.648 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.38 87.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.66 109.419 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 1.18 109.545 179.769 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.269 -0.641 . . . . 1.61 109.269 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 39.8 m-85 -93.3 158.27 15.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.57 109.637 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.2 m-85 -137.41 -167.02 2.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.344 -0.848 . . . . 0.53 109.374 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -151.88 159.2 43.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.38 109.447 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.1 tp -146.9 130.3 16.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.36 109.254 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.11 131.16 34.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 1.36 109.433 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 ' HD1' ' B' ' 338' ' ' PHE . 29.0 mt -123.82 120.44 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.49 109.66 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -73.71 147.72 43.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.495 -0.753 . . . . 2.1 109.683 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.486 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.07 135.01 4.8 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.814 -1.314 . . . . 0.44 109.814 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.605 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -80.33 -49.83 10.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -1.141 . . . . 2.72 109.498 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.06 -47.69 82.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.883 . . . . 2.21 109.169 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -39.02 83.46 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.454 -0.779 . . . . 2.79 109.353 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.479 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.6 t80 -55.07 -56.27 21.74 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.383 -0.823 . . . . 0.45 109.498 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -50.82 -34.81 29.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 1.68 109.696 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 9.3 ttp -63.56 -50.44 69.47 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.183 -0.948 . . . . 0.43 110.112 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.0 m-85 -60.64 -55.09 37.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.159 -0.963 . . . . 0.28 109.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.81 -33.52 23.88 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.382 -0.824 . . . . 2.52 109.383 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' B' ' 340' ' ' MET . 30.2 tt0 -62.31 -46.77 87.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.026 -1.046 . . . . 1.75 109.615 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' A' ' 344' ' ' LEU . 42.3 mt -61.64 -43.38 98.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 0.31 109.502 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -58.05 -48.22 80.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.21 109.979 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.82 -35.46 79.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -0.861 . . . . 1.69 109.918 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.63 -52.7 64.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.27 109.791 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.35 -38.8 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.3 109.507 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.28 -38.72 84.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 1.93 109.851 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.708 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.7 tt -64.23 -45.41 88.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.4 109.785 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.97 -39.71 90.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.59 109.015 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.64 -34.08 66.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.614 -0.679 . . . . 1.43 109.642 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.27 87.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.65 109.424 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.447 ' OE1' HD11 ' A' ' 350' ' ' LEU . 68.0 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 1.19 109.447 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.34 -0.615 . . . . 2.11 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 39.7 m-85 -93.22 158.28 15.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 0.64 109.593 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.2 m-85 -137.32 -166.9 2.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.49 109.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.8 p -151.88 159.43 43.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.47 109.485 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.9 tp -147.08 130.28 16.5 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.26 -0.9 . . . . 0.42 109.297 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 36.4 tt0 -85.2 131.14 34.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 1.81 109.407 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.478 HD12 ' HD1' ' C' ' 338' ' ' PHE . 29.0 mt -123.84 120.52 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.42 109.66 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 21.2 ttt180 -73.79 147.8 43.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 2.35 109.547 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.1 134.94 4.79 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -80.36 -49.81 10.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.38 -1.071 . . . . 2.59 109.491 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.08 -47.59 82.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 2.54 109.227 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -39.02 83.64 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.36 -0.838 . . . . 3.39 109.312 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.478 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.96 -56.32 20.99 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.421 -0.8 . . . . 0.47 109.538 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.86 -34.83 29.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.66 109.71 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 9.3 ttp -63.45 -50.58 69.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.61 110.066 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.478 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.0 m-85 -60.46 -55.16 36.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.33 109.178 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.83 -33.51 23.97 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.28 109.435 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' C' ' 340' ' ' MET . 30.1 tt0 -62.34 -46.73 87.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.16 -0.962 . . . . 1.78 109.53 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' D' ' 344' ' ' LEU . 41.5 mt -61.76 -43.31 99.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.38 109.423 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -58.06 -48.29 80.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.857 . . . . 1.2 109.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.71 -35.55 80.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 2.12 109.95 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.55 -52.79 64.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.26 109.727 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.32 -38.77 88.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 0.4 109.561 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.32 -38.65 84.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.277 -0.889 . . . . 2.09 109.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.717 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -64.23 -45.4 88.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.75 109.763 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.93 -39.78 90.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 2.19 108.928 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.71 -34.05 67.08 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.501 -0.749 . . . . 1.34 109.587 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.36 87.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 0.72 109.465 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.457 ' OE1' HD11 ' D' ' 350' ' ' LEU . 68.1 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 1.8 109.529 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.198 -0.667 . . . . 1.67 109.198 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.28 158.28 15.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.61 109.619 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 92.3 m-85 -137.41 -167.01 2.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.292 -0.88 . . . . 0.56 109.416 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.8 p -151.82 159.33 43.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.43 109.432 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.1 tp -147.05 130.3 16.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.382 -0.823 . . . . 0.35 109.221 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.08 131.17 34.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 1.37 109.423 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -123.94 120.48 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.48 109.593 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 21.3 ttt180 -73.79 147.69 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 2.08 109.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.16 135.07 4.87 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.747 -1.341 . . . . 0.4 109.747 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -80.42 -49.81 10.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.272 -1.134 . . . . 2.64 109.476 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.13 -47.63 82.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.911 . . . . 2.22 109.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -39.11 83.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 2.74 109.243 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.6 t80 -54.89 -56.37 20.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.464 -0.772 . . . . 0.43 109.559 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -50.84 -34.83 29.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.426 -0.796 . . . . 1.69 109.701 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 9.3 ttp -63.44 -50.63 68.99 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.269 -0.894 . . . . 0.43 110.045 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -60.47 -55.14 37.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.27 109.221 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.77 -33.57 23.82 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.319 -0.863 . . . . 2.45 109.4 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' D' ' 340' ' ' MET . 30.1 tt0 -62.38 -46.71 87.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 1.75 109.593 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' C' ' 344' ' ' LEU . 42.4 mt -61.62 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.294 -0.879 . . . . 0.31 109.521 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -58.09 -48.32 80.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 1.22 109.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.79 -35.47 79.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -0.864 . . . . 1.73 109.912 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.48 -52.81 63.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.28 109.799 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.38 -38.64 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.31 109.582 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.34 -38.77 84.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.3 -0.875 . . . . 1.91 109.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.7 tt -64.16 -45.4 88.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.43 109.765 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.557 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -60.9 -39.78 90.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.867 . . . . 1.57 109.037 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.8 -33.87 67.11 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.641 -0.662 . . . . 1.44 109.616 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.35 87.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.206 -0.934 . . . . 0.64 109.356 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 1.21 109.495 179.737 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.588 -0.523 . . . . 1.7 109.588 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 6.1 m-85 -95.77 155.38 16.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.61 109.117 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.1 m-85 -139.38 -169.35 2.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.127 -0.983 . . . . 0.58 109.859 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.9 p -153.18 161.04 42.88 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.42 109.3 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.4 tp -149.37 132.29 16.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.21 -0.931 . . . . 0.36 109.632 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 27.6 tt0 -85.66 129.05 34.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 1.37 109.244 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 341' ' ' PHE . 48.8 mt -123.88 116.74 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.47 109.787 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 44.1 ttt180 -74.07 152.48 39.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.913 . . . . 2.1 109.422 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.72 137.96 6.78 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.762 -1.335 . . . . 0.42 109.762 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.6 ttt-85 -82.66 -54.25 5.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -1.132 . . . . 2.68 109.463 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.18 -46.37 85.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 2.22 109.391 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -43.47 98.82 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.275 -0.891 . . . . 2.77 109.528 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 29.2 t80 -54.77 -57.33 11.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.316 -0.865 . . . . 0.43 109.704 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.56 -34.06 35.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.66 109.735 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.82 -49.68 73.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.44 109.896 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 332' ' ' ILE . 28.6 m-85 -60.97 -49.95 75.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.29 109.152 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.59 -40.11 59.19 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.423 -0.798 . . . . 2.44 109.747 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 1.74 109.975 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.8 -43.47 98.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.172 -0.955 . . . . 0.3 109.469 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.11 -49.36 77.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 1.22 109.688 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -32.22 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 1.72 109.833 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.39 -50.76 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.27 110.086 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.421 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 38.1 mt -61.28 -44.01 97.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.29 109.74 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.8 -36.63 74.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.91 . . . . 1.91 109.65 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 18.3 tp -64.65 -42.29 95.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.844 . . . . 0.41 109.525 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.0 ttmm -62.43 -43.09 99.65 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.333 -0.854 . . . . 1.56 109.272 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -55.99 -36.04 67.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.478 -0.764 . . . . 1.43 109.812 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.49 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 0.66 109.838 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 1.18 109.801 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.6 -0.518 . . . . 1.61 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -95.86 155.26 16.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.191 -0.943 . . . . 0.57 109.216 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 72.6 m-85 -139.29 -169.31 2.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 0.53 109.851 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.8 p -153.28 160.86 42.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 0.38 109.289 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -149.17 132.44 16.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.906 . . . . 0.36 109.669 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -85.77 129.01 34.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 1.36 109.279 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 48.8 mt -123.85 116.82 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.163 -0.96 . . . . 0.49 109.788 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -74.07 152.46 39.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 2.1 109.407 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.66 137.96 6.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.758 -1.337 . . . . 0.44 109.758 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.5 ttt-85 -82.69 -54.27 5.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.25 -1.147 . . . . 2.72 109.452 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.21 -46.28 86.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 2.21 109.348 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.482 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -61.27 -43.49 98.78 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.331 -0.856 . . . . 2.79 109.576 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 29.2 t80 -54.85 -57.41 11.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.352 -0.843 . . . . 0.45 109.596 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.0 34.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.68 109.701 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.87 -49.64 74.06 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 28.6 m-85 -60.91 -50.0 75.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.202 -0.936 . . . . 0.28 109.208 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.62 -40.07 59.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 2.52 109.681 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -43.47 98.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.25 -0.906 . . . . 1.75 109.923 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.85 -43.38 98.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.31 109.446 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.381 -0.824 . . . . 1.21 109.645 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -32.2 72.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 1.69 109.823 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.49 -50.64 72.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.143 -0.973 . . . . 0.27 110.089 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.28 -44.05 97.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.3 109.675 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.84 -36.52 74.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 1.93 109.53 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 18.3 tp -64.75 -42.31 95.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.4 109.56 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.0 ttmm -62.38 -43.0 99.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 1.59 109.31 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.11 -35.95 67.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.444 -0.785 . . . . 1.43 109.821 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.61 77.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.28 -0.888 . . . . 0.65 109.809 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.401 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.936 . . . . 1.19 109.788 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.614 -0.513 . . . . 2.11 109.614 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 6.0 m-85 -95.78 155.36 16.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 0.64 109.235 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 72.1 m-85 -139.39 -169.28 2.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.094 -1.004 . . . . 0.49 109.879 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.8 p -153.21 160.98 42.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.38 -0.825 . . . . 0.47 109.331 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.4 tp -149.26 132.41 16.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.42 109.593 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 27.5 tt0 -85.8 129.0 34.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.329 -0.857 . . . . 1.81 109.26 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 48.8 mt -123.81 116.72 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 0.42 109.708 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 44.4 ttt180 -74.02 152.52 39.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 2.35 109.449 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.59 138.0 6.72 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.5 ttt-85 -82.73 -54.21 5.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -1.11 . . . . 2.59 109.443 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.29 -46.2 86.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 2.54 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -61.35 -43.53 98.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.334 -0.853 . . . . 3.39 109.489 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 329' ' ' THR . 29.4 t80 -54.67 -57.51 11.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.369 -0.832 . . . . 0.47 109.67 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.45 -34.03 33.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 1.66 109.722 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.96 -49.57 74.23 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.278 -0.889 . . . . 0.61 109.962 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 28.8 m-85 -60.91 -50.02 75.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.169 -0.957 . . . . 0.33 109.202 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.63 -40.07 59.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 3.28 109.661 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -43.47 98.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.174 -0.954 . . . . 1.78 110.027 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.84 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.166 -0.959 . . . . 0.38 109.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.17 -49.38 77.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 1.2 109.615 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -32.13 72.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 2.12 109.86 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -50.6 72.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.26 110.107 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.32 -44.04 97.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.4 109.676 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.74 -36.75 74.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 2.09 109.495 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.69 -42.31 95.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.75 109.474 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -62.38 -43.05 99.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.483 -0.761 . . . . 2.19 109.234 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -56.01 -36.03 67.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.555 -0.716 . . . . 1.34 109.848 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.4 76.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.72 109.904 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 1.8 109.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.638 -0.505 . . . . 1.67 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.8 155.28 16.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.61 109.24 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.5 m-85 -139.34 -169.39 2.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.56 109.846 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.9 p -153.1 161.12 42.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.43 109.333 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 329' ' ' THR . 15.4 tp -149.33 132.38 16.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.223 -0.923 . . . . 0.35 109.636 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -85.73 129.03 34.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.37 109.241 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.0 mt -123.9 116.8 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.169 -0.957 . . . . 0.48 109.68 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -74.03 152.48 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.08 109.506 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 138.02 6.78 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.756 -1.338 . . . . 0.4 109.756 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.613 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.5 ttt-85 -82.71 -54.25 5.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -1.123 . . . . 2.64 109.504 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.2 -46.45 85.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.841 . . . . 2.22 109.347 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -43.52 98.74 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.291 -0.881 . . . . 2.74 109.482 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 29.3 t80 -54.71 -57.44 11.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 0.43 109.618 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.08 34.81 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 1.69 109.732 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.74 -49.79 73.62 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.349 -0.844 . . . . 0.43 109.927 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' D' ' 332' ' ' ILE . 28.9 m-85 -60.73 -50.06 74.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 0.27 109.273 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -51.7 -40.01 59.34 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.375 -0.828 . . . . 2.45 109.707 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -43.46 98.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 1.75 109.944 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.79 -43.5 98.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.31 109.353 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.27 -49.28 77.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.264 -0.897 . . . . 1.22 109.567 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -32.1 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.73 109.824 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.42 -50.7 72.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.28 110.083 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.482 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 38.0 mt -61.27 -44.11 97.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.31 109.649 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.83 -36.55 74.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.91 109.601 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 18.3 tp -64.66 -42.4 95.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 0.43 109.557 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.41 -43.04 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.283 -0.886 . . . . 1.57 109.231 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.04 -36.02 67.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.527 -0.733 . . . . 1.44 109.802 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.47 77.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -0.848 . . . . 0.64 109.874 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.21 109.837 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.244 0.545 . . . . 1.7 109.708 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 19.3 m-85 -94.3 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.61 109.205 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -139.54 -162.74 1.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.58 109.496 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 1.2 p -153.93 161.7 41.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.115 -0.991 . . . . 0.42 109.647 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' C' ' 345' ' ' ASN . 19.0 tp -149.3 134.24 18.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.231 -0.918 . . . . 0.36 109.329 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -86.64 134.48 33.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 1.37 109.903 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 341' ' ' PHE . 36.0 mt -123.73 118.97 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.173 -0.954 . . . . 0.47 109.192 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 143.85 45.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.191 -0.943 . . . . 2.1 110.194 -179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 142.21 7.98 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.085 -1.206 . . . . 0.42 110.085 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.8 ttt180 -82.23 -51.28 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -1.052 . . . . 2.68 109.322 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.78 -44.65 90.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.323 -0.861 . . . . 2.22 109.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.735 HH12 HD22 ' C' ' 348' ' ' LEU . 7.0 tpp180 -62.73 -41.03 98.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.336 -0.853 . . . . 2.77 109.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.7 t80 -56.23 -48.68 76.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -0.773 . . . . 0.43 109.453 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.17 -37.33 54.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.26 -0.9 . . . . 1.66 109.907 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.18 -49.34 76.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.166 -0.959 . . . . 0.44 110.201 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.647 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.9 m-85 -60.88 -53.52 56.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.29 109.36 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -50.14 -37.03 32.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 2.44 109.612 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.86 -48.95 79.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.17 -0.956 . . . . 1.74 109.506 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 81.6 mt -61.17 -34.59 75.28 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.183 -0.948 . . . . 0.3 108.838 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.7 t-20 -58.94 -55.18 38.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.583 -0.698 . . . . 1.22 109.486 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.37 -28.99 70.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 1.72 109.851 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -62.17 -54.5 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.27 109.934 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' C' ' 337' ' ' ARG . 62.8 mt -60.82 -45.0 96.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.29 109.693 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.53 -33.42 71.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -0.931 . . . . 1.91 109.397 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.575 HD22 ' HD3' ' B' ' 351' ' ' LYS . 6.5 tp -65.44 -42.11 92.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.36 -0.837 . . . . 0.41 109.29 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.568 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.491 -0.755 . . . . 1.56 109.235 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -32.84 67.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.669 -0.644 . . . . 1.43 109.838 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.61 86.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.66 109.938 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 1.18 109.838 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.328 0.585 . . . . 1.61 109.726 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.436 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 19.1 m-85 -94.25 158.83 15.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.57 109.273 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.5 m-85 -139.58 -162.8 1.38 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.53 109.562 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.427 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.2 p -153.82 161.87 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.951 . . . . 0.38 109.622 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' D' ' 345' ' ' ASN . 19.2 tp -149.47 134.24 17.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 0.36 109.337 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.53 134.59 33.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 1.36 109.938 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.0 mt -123.86 118.74 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.49 109.226 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.494 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.56 143.85 46.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 2.1 110.285 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.24 142.19 8.06 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.017 -1.233 . . . . 0.44 110.017 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.2 8.16 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -1.13 . . . . 2.72 109.419 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.89 -44.73 91.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.297 -0.877 . . . . 2.21 109.46 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.806 HH12 HD22 ' D' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -41.25 98.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.275 -0.891 . . . . 2.79 109.184 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.551 ' HA ' HG21 ' B' ' 332' ' ' ILE . 43.6 t80 -56.21 -48.69 75.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.534 -0.729 . . . . 0.45 109.502 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.03 -37.32 53.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 1.68 109.997 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.23 -49.39 75.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.253 -0.904 . . . . 0.43 110.158 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.73 -53.5 56.59 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.242 -0.911 . . . . 0.28 109.456 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -50.19 -36.99 32.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 2.52 109.557 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.83 -49.04 79.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.75 109.469 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' A' ' 344' ' ' LEU . 81.2 mt -61.27 -34.49 75.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.31 108.846 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.8 t-20 -58.95 -55.21 38.12 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.48 -0.762 . . . . 1.21 109.496 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.36 -28.9 70.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.69 109.851 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.3 -54.52 39.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.27 109.978 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.79 HD22 HH12 ' D' ' 337' ' ' ARG . 62.6 mt -60.81 -44.94 96.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.3 109.715 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.64 -33.22 71.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 1.93 109.37 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.568 HD22 ' HD3' ' A' ' 351' ' ' LYS . 6.5 tp -65.43 -42.29 92.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.4 109.242 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.575 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.96 -50.97 68.7 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.682 0.754 . . . . 1.59 109.271 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -32.89 67.31 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.633 -0.667 . . . . 1.43 109.858 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.63 86.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.313 -0.867 . . . . 0.65 109.947 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 1.19 109.895 -179.683 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.364 0.602 . . . . 2.11 109.746 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 19.9 m-85 -94.31 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.214 -0.929 . . . . 0.64 109.157 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.5 m-85 -139.55 -162.85 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.49 109.538 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 1.2 p -153.84 161.71 41.83 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.213 -0.93 . . . . 0.47 109.67 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 345' ' ' ASN . 18.8 tp -149.23 134.27 18.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.42 109.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -86.58 134.58 33.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.81 109.959 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.4 mt -123.79 119.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.843 . . . . 0.42 109.14 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.79 143.87 45.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.905 . . . . 2.35 110.236 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.23 142.17 8.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.001 -1.24 . . . . 0.41 110.001 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.21 8.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -1.047 . . . . 2.59 109.358 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.86 -44.61 91.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.366 -0.833 . . . . 2.54 109.551 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' A' ' 348' ' ' LEU . 7.0 tpp180 -62.59 -41.23 98.83 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 3.39 109.097 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.7 t80 -56.21 -48.68 75.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.47 109.473 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.19 -37.2 54.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.397 -0.814 . . . . 1.66 109.935 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.23 -49.3 76.28 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.27 -0.894 . . . . 0.61 110.229 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.7 m-85 -60.96 -53.55 55.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.256 -0.902 . . . . 0.33 109.346 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.01 -37.11 31.35 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.451 -0.78 . . . . 3.28 109.606 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 1.78 109.56 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' D' ' 344' ' ' LEU . 81.1 mt -61.21 -34.62 75.39 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.272 -0.893 . . . . 0.38 108.779 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.667 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.7 t-20 -58.81 -55.27 37.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.4 -0.813 . . . . 1.2 109.615 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.3 -29.01 70.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 2.12 109.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.23 -54.38 41.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.26 110.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.735 HD22 HH12 ' A' ' 337' ' ' ARG . 62.1 mt -60.84 -44.98 96.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.4 109.719 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.55 -33.37 71.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 2.09 109.465 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.481 HD11 ' OE1' ' D' ' 354' ' ' GLN . 6.5 tp -65.37 -42.18 93.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.361 -0.837 . . . . 0.75 109.274 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -63.19 -50.86 68.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.511 -0.743 . . . . 2.19 109.234 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -32.74 67.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.676 -0.64 . . . . 1.34 109.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.6 85.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.297 -0.877 . . . . 0.72 109.892 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.8 109.921 -179.7 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.281 0.562 . . . . 1.67 109.749 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 19.4 m-85 -94.26 159.04 15.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.61 109.214 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.5 m-85 -139.8 -162.85 1.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.201 -0.937 . . . . 0.56 109.449 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 1.2 p -153.85 161.86 41.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.15 -0.969 . . . . 0.43 109.64 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' B' ' 345' ' ' ASN . 19.0 tp -149.38 134.21 17.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.416 -0.803 . . . . 0.35 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.6 134.69 33.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 1.37 109.926 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' D' ' 341' ' ' PHE . 36.6 mt -123.93 119.05 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.48 109.068 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -73.89 143.81 45.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 2.08 110.161 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.22 142.21 8.06 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.976 -1.25 . . . . 0.4 109.976 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.8 ttt180 -82.24 -51.15 8.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.357 -1.084 . . . . 2.64 109.408 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.88 -44.62 91.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.83 . . . . 2.22 109.435 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.79 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.61 -41.2 98.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.3 -0.875 . . . . 2.74 109.186 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -56.23 -48.71 75.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.351 -0.843 . . . . 0.43 109.452 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.06 -37.33 53.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.394 -0.816 . . . . 1.69 109.948 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.27 -49.45 75.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.935 . . . . 0.43 110.105 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.0 m-85 -60.75 -53.56 55.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.27 109.443 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.05 -37.1 31.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.358 -0.839 . . . . 2.45 109.608 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.77 -49.0 79.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.131 -0.981 . . . . 1.75 109.602 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' C' ' 344' ' ' LEU . 80.8 mt -61.26 -34.45 75.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.31 108.779 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.67 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.8 t-20 -58.81 -55.34 36.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.843 . . . . 1.22 109.574 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.23 -29.05 70.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.73 109.834 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -62.4 -54.38 41.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.28 109.948 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.806 HD22 HH12 ' B' ' 337' ' ' ARG . 62.1 mt -60.8 -44.86 96.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.31 109.83 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.57 -33.45 71.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.108 -0.995 . . . . 1.91 109.359 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.516 HD22 ' HD3' ' C' ' 351' ' ' LYS . 6.5 tp -65.39 -42.19 92.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.43 109.228 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -51.04 68.24 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.546 -0.721 . . . . 1.57 109.263 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -32.86 67.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.688 -0.632 . . . . 1.44 109.874 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.67 86.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.64 109.898 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.481 ' OE1' HD11 ' C' ' 350' ' ' LEU . 65.9 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.21 109.865 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.499 -0.556 . . . . 1.7 109.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -94.76 157.95 15.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.61 109.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 65.3 m-85 -139.84 -169.18 2.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.241 -0.912 . . . . 0.58 109.43 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.5 p -153.44 159.78 42.43 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.178 -0.951 . . . . 0.42 109.658 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 14.9 tp -148.44 132.12 16.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.36 109.347 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.26 128.25 34.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 1.37 109.469 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.1 mt -123.91 115.42 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.47 109.203 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.8 OUTLIER -73.0 153.18 41.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 2.1 109.665 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 87.28 128.47 2.62 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.698 -1.361 . . . . 0.42 109.698 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.84 14.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.348 -1.089 . . . . 2.68 109.549 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.44 -48.32 81.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.281 -0.887 . . . . 2.22 109.368 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.27 96.34 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.356 -0.84 . . . . 2.77 109.624 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.3 t80 -54.46 -56.33 19.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 0.43 109.506 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.33 -34.57 34.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.66 109.79 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.2 -50.47 70.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.308 -0.87 . . . . 0.44 109.99 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -60.63 -49.43 77.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.29 109.221 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -50.94 -39.66 55.39 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 2.44 109.462 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.57 -42.1 98.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.353 -0.842 . . . . 1.74 109.753 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 344' ' ' LEU . 48.6 mt -62.11 -46.23 89.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 0.3 109.593 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 48.3 t30 -57.58 -46.12 84.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.22 109.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.39 -33.03 73.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 1.72 109.517 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.45 -52.92 63.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.27 109.624 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.474 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.3 mt -61.42 -40.94 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.29 109.358 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 19.5 mt-10 -59.12 -35.26 73.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.91 109.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' B' ' 351' ' ' LYS . 13.2 tp -64.24 -41.06 97.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.483 -0.76 . . . . 0.41 109.112 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.453 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -62.0 -52.11 65.3 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.48 -0.763 . . . . 1.56 109.004 179.498 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -29.4 60.95 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.584 -0.697 . . . . 1.43 109.631 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.5 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.284 -0.885 . . . . 0.66 109.476 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.28 -0.888 . . . . 1.18 109.326 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.384 -0.598 . . . . 1.61 109.384 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.9 157.83 15.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.188 -0.945 . . . . 0.57 109.56 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 65.3 m-85 -139.67 -169.11 2.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.313 -0.867 . . . . 0.53 109.42 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 64.9 p -153.49 159.97 42.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.25 -0.906 . . . . 0.38 109.588 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.9 tp -148.7 131.89 16.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.298 -0.876 . . . . 0.36 109.359 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.0 tt0 -86.02 128.19 34.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.838 . . . . 1.36 109.48 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' B' ' 341' ' ' PHE . 51.8 mt -123.84 115.49 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.932 . . . . 0.49 109.211 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.8 OUTLIER -73.02 153.15 41.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.218 -0.926 . . . . 2.1 109.646 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 87.19 128.2 2.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.712 -1.355 . . . . 0.44 109.712 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 20.6 ttt180 -75.01 -50.99 14.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.164 -1.198 . . . . 2.72 109.486 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.41 -48.33 81.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.145 -0.972 . . . . 2.21 109.354 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.29 96.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.257 -0.902 . . . . 2.79 109.568 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.2 t80 -54.55 -56.26 20.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.38 -0.825 . . . . 0.45 109.554 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -51.27 -34.57 33.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 1.68 109.927 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.08 -50.6 69.91 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.222 -0.924 . . . . 0.43 110.023 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.499 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 9.3 m-85 -60.68 -49.35 77.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.28 109.21 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.02 -39.63 56.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.422 -0.799 . . . . 2.52 109.402 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.51 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 1.75 109.79 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' B' ' 344' ' ' LEU . 48.1 mt -62.26 -46.18 89.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.31 109.498 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' B' ' 349' ' ' GLU . 48.2 t30 -57.55 -46.14 84.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 1.21 109.454 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.271 -0.893 . . . . 1.69 109.507 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.37 -52.94 63.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.27 109.727 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.511 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 20.3 mt -61.35 -41.01 96.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.3 109.383 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 19.5 mt-10 -59.11 -35.18 72.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.975 . . . . 1.93 109.265 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.453 HD22 ' HD3' ' A' ' 351' ' ' LYS . 13.2 tp -64.35 -40.99 96.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.4 109.095 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -62.04 -51.84 66.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.751 0.786 . . . . 1.59 108.976 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -29.48 61.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.575 -0.703 . . . . 1.43 109.547 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.64 95.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.65 109.556 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 1.19 109.353 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.52 -0.548 . . . . 2.11 109.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -94.79 157.8 15.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.64 109.546 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.8 m-85 -139.77 -169.1 2.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.49 109.391 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.1 p -153.47 160.1 42.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.47 109.563 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.8 tp -148.79 132.08 16.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 0.42 109.256 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -86.2 128.21 34.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 1.81 109.44 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 51.6 mt -123.83 115.44 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.42 109.339 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.478 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.8 OUTLIER -72.96 153.31 41.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 2.35 109.594 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.452 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 87.08 128.48 2.55 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.624 -1.391 . . . . 0.41 109.624 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 20.7 ttt180 -75.33 -50.91 14.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.166 -1.196 . . . . 2.59 109.478 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.28 -48.58 80.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.937 . . . . 2.54 109.382 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.93 -41.33 95.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.309 -0.869 . . . . 3.39 109.597 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.3 t80 -54.4 -56.29 20.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.365 -0.834 . . . . 0.47 109.58 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.43 -34.5 35.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.66 109.892 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.06 -50.56 70.14 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.104 -0.997 . . . . 0.61 110.039 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 9.3 m-85 -60.72 -49.34 77.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.925 . . . . 0.33 109.212 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 12.5 ttm180 -51.09 -39.59 56.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.817 . . . . 3.28 109.401 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.47 -42.24 98.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.211 -0.93 . . . . 1.78 109.667 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' C' ' 344' ' ' LEU . 49.0 mt -62.17 -46.21 89.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.268 -0.895 . . . . 0.38 109.535 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.63 -46.12 84.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 1.2 109.418 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.33 -33.03 73.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.306 -0.871 . . . . 2.12 109.613 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.51 -52.84 63.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.367 -0.833 . . . . 0.26 109.694 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.491 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.2 mt -61.3 -41.09 96.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.4 109.371 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.07 -35.26 73.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 2.09 109.141 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' C' ' 350' ' ' LEU . 13.2 tp -64.25 -41.06 97.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.75 109.032 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -52.01 65.66 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.92 -0.771 . . . . 2.19 108.92 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -29.49 61.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.674 -0.641 . . . . 1.34 109.628 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.36 94.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.72 109.555 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 1.8 109.286 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.533 -0.543 . . . . 1.67 109.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.9 157.75 15.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.226 -0.921 . . . . 0.61 109.566 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.8 m-85 -139.61 -169.09 2.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.362 -0.836 . . . . 0.56 109.408 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 63.8 p -153.49 159.86 42.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.43 109.61 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.9 tp -148.56 132.11 16.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 0.35 109.342 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.28 128.11 34.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 1.37 109.523 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' D' ' 341' ' ' PHE . 51.0 mt -123.69 115.41 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.48 109.336 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.8 OUTLIER -73.13 153.24 40.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.874 . . . . 2.08 109.55 -179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 87.31 128.45 2.63 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.85 14.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -1.118 . . . . 2.64 109.533 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -48.19 81.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 2.22 109.4 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.365 -0.834 . . . . 2.74 109.513 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -54.45 -56.26 20.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.43 109.522 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.48 -34.52 36.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 1.69 109.799 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.02 -50.52 70.38 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -0.988 . . . . 0.43 110.068 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.511 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 9.3 m-85 -60.75 -49.26 78.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.957 . . . . 0.27 109.187 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.13 -39.67 56.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.402 -0.811 . . . . 2.45 109.355 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.43 -42.18 98.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 1.75 109.801 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 344' ' ' LEU . 48.2 mt -62.22 -46.21 89.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 0.31 109.507 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.52 -46.23 84.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.36 -0.838 . . . . 1.22 109.414 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.29 -33.14 74.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.408 -0.808 . . . . 1.73 109.597 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.43 -52.83 63.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.837 . . . . 0.28 109.663 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.47 -40.92 96.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.31 109.35 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 1.91 109.203 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' D' ' 350' ' ' LEU . 13.2 tp -64.26 -40.99 97.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.298 -0.876 . . . . 0.43 109.08 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HD3' HD22 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -62.15 -51.93 65.87 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.93 -0.767 . . . . 1.57 108.93 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.38 61.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.621 -0.675 . . . . 1.44 109.645 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.5 95.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 0.64 109.558 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.21 109.356 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.296 0.569 . . . . 1.7 109.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -94.95 155.68 16.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.61 109.041 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.0 m-85 -140.2 -170.42 2.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.977 -1.077 . . . . 0.58 110.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -152.75 159.44 43.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.42 109.307 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -148.47 136.92 21.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.36 109.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 128.72 35.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.311 -0.868 . . . . 1.37 109.191 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.6 mt -123.97 115.52 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.012 -1.055 . . . . 0.47 109.558 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 153.0 40.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.299 -0.876 . . . . 2.1 109.679 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.87 7.05 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.835 -1.306 . . . . 0.42 109.835 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.1 ttp180 -81.01 -58.53 3.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -1.113 . . . . 2.68 109.437 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.21 -42.88 87.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.304 -0.872 . . . . 2.22 109.345 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.5 -42.73 96.93 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.357 -0.839 . . . . 2.77 109.294 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.2 t80 -55.4 -56.79 16.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.43 109.728 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.98 -34.26 28.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.819 . . . . 1.66 110.08 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.31 -48.24 78.88 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.144 -0.972 . . . . 0.44 110.004 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.498 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.7 m-85 -61.18 -50.35 73.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.169 -0.957 . . . . 0.29 109.377 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.22 -40.84 59.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.899 . . . . 2.44 109.692 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.66 98.48 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 1.74 109.983 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 344' ' ' LEU . 54.7 mt -62.2 -42.79 99.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.3 109.383 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.91 -50.54 72.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.88 . . . . 1.22 109.65 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.282 -0.886 . . . . 1.72 109.887 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -0.916 . . . . 0.27 110.02 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.38 -44.47 97.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.29 109.757 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.95 -36.42 74.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.91 109.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.486 HD23 HD23 ' B' ' 350' ' ' LEU . 6.3 tp -64.55 -41.92 96.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.41 109.544 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' B' ' 350' ' ' LEU . 13.1 ttmm -61.43 -44.52 96.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.272 -0.893 . . . . 1.56 109.047 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.98 -33.07 64.48 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.456 -0.777 . . . . 1.43 109.559 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.04 85.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.66 109.544 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.409 ' OE1' HD21 ' B' ' 350' ' ' LEU . 10.7 mp0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 1.18 109.592 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.254 0.55 . . . . 1.61 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.96 155.63 16.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.894 . . . . 0.57 109.099 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.1 m-85 -140.12 -170.47 2.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.013 -1.055 . . . . 0.53 109.996 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 66.9 p -152.72 159.55 43.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.795 . . . . 0.38 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.5 tp -148.57 136.82 21.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.048 -1.032 . . . . 0.36 109.693 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.49 128.7 34.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.897 . . . . 1.36 109.31 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.9 115.54 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.997 . . . . 0.49 109.517 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 153.0 40.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 2.1 109.659 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.96 7.06 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.827 -1.309 . . . . 0.44 109.827 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.2 ttp180 -81.01 -58.62 3.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 2.72 109.374 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.1 -42.95 86.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.36 -0.837 . . . . 2.21 109.358 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.42 -42.8 96.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.349 -0.845 . . . . 2.79 109.391 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.3 t80 -55.33 -56.8 15.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.466 -0.771 . . . . 0.45 109.711 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.05 -34.3 29.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.68 109.934 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.36 -48.17 79.06 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.104 -0.998 . . . . 0.43 110.033 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.8 m-85 -61.21 -50.51 72.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.28 109.247 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.07 -40.83 59.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.375 -0.828 . . . . 2.52 109.749 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.82 -42.76 98.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 1.75 109.976 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 344' ' ' LEU . 55.8 mt -62.17 -42.73 99.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.984 . . . . 0.31 109.487 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.92 -50.48 73.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.456 -0.777 . . . . 1.21 109.715 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.09 -32.47 73.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.35 -0.843 . . . . 1.69 109.865 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.44 -49.76 76.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.27 109.998 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.41 -44.6 96.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.832 . . . . 0.3 109.692 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.5 74.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 1.93 109.633 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 351' ' ' LYS . 6.3 tp -64.35 -42.11 96.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.4 109.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.27 -44.6 96.97 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 1.59 109.092 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.03 -33.03 64.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.504 -0.747 . . . . 1.43 109.531 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.17 86.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.65 109.465 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 1.19 109.577 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.245 0.545 . . . . 2.11 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.02 155.57 16.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.64 109.033 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -140.1 -170.39 2.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.49 110.051 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.2 p -152.75 159.46 43.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.37 -0.831 . . . . 0.47 109.266 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.5 tp -148.55 136.81 21.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.42 109.646 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 128.63 34.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.81 109.299 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.8 115.65 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.096 -1.002 . . . . 0.42 109.527 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 152.98 40.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.835 . . . . 2.35 109.643 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 137.85 7.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.842 -1.303 . . . . 0.41 109.842 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.55 3.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 2.59 109.387 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -42.89 87.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 2.54 109.348 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.4 -42.76 96.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.312 -0.868 . . . . 3.39 109.4 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.6 t80 -55.34 -56.86 15.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.422 -0.799 . . . . 0.47 109.753 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.99 -34.24 28.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 1.66 110.029 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.39 -48.18 78.93 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.144 -0.972 . . . . 0.61 109.983 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.8 m-85 -61.14 -50.48 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.279 -0.888 . . . . 0.33 109.296 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -51.12 -40.78 59.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 3.28 109.787 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.75 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.15 -0.969 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' C' ' 344' ' ' LEU . 54.8 mt -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.225 -0.922 . . . . 0.38 109.461 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.97 -50.5 73.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.825 . . . . 1.2 109.71 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -62.24 -32.27 72.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 2.12 109.833 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.53 -49.92 75.63 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.259 -0.9 . . . . 0.26 109.926 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.3 -44.52 97.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.928 . . . . 0.4 109.719 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.79 -36.57 74.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.91 . . . . 2.09 109.608 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.487 HD23 HD23 ' D' ' 350' ' ' LEU . 6.3 tp -64.47 -41.88 96.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.75 109.558 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 2.19 108.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.97 -33.02 64.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.419 -0.8 . . . . 1.34 109.603 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.14 85.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.292 -0.88 . . . . 0.72 109.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.8 109.644 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.262 0.553 . . . . 1.67 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.0 155.62 16.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.61 109.055 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -140.13 -170.4 2.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.56 110.012 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 66.8 p -152.73 159.64 43.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.346 -0.846 . . . . 0.43 109.171 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' B' ' 329' ' ' THR . 13.6 tp -148.71 136.92 21.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.35 109.645 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.69 128.75 35.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.393 -0.817 . . . . 1.37 109.228 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.91 115.55 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.48 109.524 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 152.99 40.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 2.08 109.63 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.24 137.9 7.04 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.783 -1.327 . . . . 0.4 109.783 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.57 3.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.429 -1.042 . . . . 2.64 109.39 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.09 -43.15 86.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 2.22 109.277 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.32 -42.78 96.32 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.304 -0.873 . . . . 2.74 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -55.42 -56.85 15.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 0.43 109.647 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.9 -34.38 28.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.835 . . . . 1.69 109.998 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.26 -48.22 79.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.043 -1.035 . . . . 0.43 110.094 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.2 m-85 -61.02 -50.57 72.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.927 . . . . 0.27 109.381 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.17 -40.77 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.393 -0.817 . . . . 2.45 109.74 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.85 -42.64 98.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 1.75 110.023 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' D' ' 344' ' ' LEU . 54.5 mt -62.24 -42.69 99.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.31 109.466 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.88 -50.63 72.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.33 -0.856 . . . . 1.22 109.654 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.13 -32.29 72.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.195 -0.941 . . . . 1.73 109.913 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.132 -0.98 . . . . 0.28 109.954 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.38 -44.63 96.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.31 109.718 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.45 74.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 1.91 109.594 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.487 HD23 HD23 ' C' ' 350' ' ' LEU . 6.3 tp -64.42 -42.11 96.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.43 109.491 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.463 ' HA ' HD22 ' C' ' 350' ' ' LEU . 13.1 ttmm -61.3 -44.54 97.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.342 -0.849 . . . . 1.57 109.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.05 -32.94 64.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.481 -0.762 . . . . 1.44 109.582 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.09 85.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.219 -0.926 . . . . 0.64 109.46 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' C' ' 350' ' ' LEU . 10.7 mp0 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.243 -0.91 . . . . 1.21 109.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.277 0.56 . . . . 1.7 109.556 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -98.55 150.47 21.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.61 109.789 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.9 m-85 -139.73 137.52 35.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.883 . . . . 0.58 108.935 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.54 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 75.8 p -93.06 166.77 12.19 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.23 -0.919 . . . . 0.42 110.269 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.2 tp -147.03 131.83 17.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.424 -0.798 . . . . 0.36 109.722 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.75 123.85 32.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 1.37 109.359 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.45 116.86 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 0.47 109.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -74.02 150.87 40.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 2.1 109.416 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.15 133.24 6.84 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.801 -1.319 . . . . 0.42 109.801 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.3 ttt180 -82.95 -54.7 4.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.274 -1.133 . . . . 2.68 109.512 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.89 -45.77 85.93 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 2.22 109.291 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.3 -38.7 84.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.339 -0.851 . . . . 2.77 109.24 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' C' ' 329' ' ' THR . 77.9 t80 -54.75 -55.44 29.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.421 -0.799 . . . . 0.43 109.685 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.66 -34.8 39.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.374 -0.829 . . . . 1.66 109.859 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.07 -47.86 82.78 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.139 -0.976 . . . . 0.44 109.744 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.22 -44.82 96.66 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -0.968 . . . . 0.29 109.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -53.15 -42.01 65.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.352 -0.842 . . . . 2.44 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.32 -49.62 77.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.95 . . . . 1.74 109.979 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.32 -33.1 71.92 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.113 -0.992 . . . . 0.3 108.85 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.03 -57.07 14.44 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.615 -0.678 . . . . 1.22 109.754 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.12 -26.55 68.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 1.72 110.15 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -60.84 3.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.27 110.284 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.18 -38.34 82.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.29 109.554 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.72 -36.09 75.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.265 -0.897 . . . . 1.91 109.47 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 350' ' ' LEU . 38.1 tp -65.01 -40.83 95.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.41 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -50.73 70.93 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.847 -0.797 . . . . 1.56 108.847 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -57.16 -32.85 66.83 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.666 -0.646 . . . . 1.43 109.764 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.913 . . . . 0.66 109.805 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.623 ' OE1' HD11 ' B' ' 350' ' ' LEU . 5.0 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 1.18 109.82 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.295 0.569 . . . . 1.61 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.69 150.47 21.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.57 109.737 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -139.68 137.7 35.42 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.833 -0.803 . . . . 0.53 108.833 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.557 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.7 p -93.15 166.74 12.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.165 -0.959 . . . . 0.38 110.117 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 330' ' ' LEU . 25.0 tp -147.03 131.73 17.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.415 -0.803 . . . . 0.36 109.823 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.66 123.89 32.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.36 109.361 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 18.9 mt -124.58 116.94 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.49 109.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -74.07 150.99 40.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.199 -0.938 . . . . 2.1 109.405 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.17 133.26 6.85 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.808 -1.317 . . . . 0.44 109.808 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.3 ttt180 -83.14 -54.56 4.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -1.119 . . . . 2.72 109.419 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.89 -45.81 85.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 2.21 109.269 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -38.9 84.56 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 2.79 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' D' ' 329' ' ' THR . 77.9 t80 -54.69 -55.43 29.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.381 -0.824 . . . . 0.45 109.615 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.57 -34.91 38.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.391 -0.818 . . . . 1.68 109.928 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.93 -47.77 83.43 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.228 -0.92 . . . . 0.43 109.883 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.38 -44.7 96.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.28 109.145 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -53.32 -41.9 66.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.541 -0.724 . . . . 2.52 109.951 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.23 -49.71 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 1.75 109.986 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.27 -33.12 71.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.205 -0.934 . . . . 0.31 108.838 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.98 -57.23 13.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.523 -0.735 . . . . 1.21 109.672 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.03 -26.56 68.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 1.69 110.162 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -60.9 3.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.197 -0.939 . . . . 0.27 110.274 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 15.6 mt -60.31 -38.2 82.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.3 109.532 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.73 -36.02 75.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.224 -0.923 . . . . 1.93 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.623 HD11 ' OE1' ' A' ' 354' ' ' GLN . 38.0 tp -64.98 -40.92 95.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.387 -0.821 . . . . 0.4 109.315 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -50.53 71.73 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.743 0.782 . . . . 1.59 108.934 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -57.45 -32.73 67.22 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.71 -0.619 . . . . 1.43 109.811 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.65 109.756 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 1.19 109.804 -179.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.244 0.545 . . . . 2.11 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.48 150.52 21.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.64 109.79 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.6 m-85 -139.79 137.56 35.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.49 108.904 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.546 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 75.9 p -92.94 166.83 12.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -0.955 . . . . 0.47 110.171 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' C' ' 330' ' ' LEU . 24.8 tp -147.05 131.67 17.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.404 -0.81 . . . . 0.42 109.86 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.68 123.81 32.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.188 -0.945 . . . . 1.81 109.459 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.47 116.98 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 0.42 109.942 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -74.14 150.98 40.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.172 -0.955 . . . . 2.35 109.396 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.11 133.19 6.8 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttt180 -83.0 -54.61 4.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 2.59 109.511 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.92 -45.71 86.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -0.905 . . . . 2.54 109.282 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.29 -38.78 84.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.463 -0.773 . . . . 3.39 109.277 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -54.81 -55.25 32.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.476 -0.765 . . . . 0.47 109.69 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.72 -34.9 41.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.405 -0.809 . . . . 1.66 109.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.92 -47.88 82.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.185 -0.947 . . . . 0.61 109.844 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.33 -44.7 96.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.33 109.132 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -53.17 -41.89 65.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.396 -0.815 . . . . 3.28 110.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.38 -49.65 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.18 -0.95 . . . . 1.78 109.94 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.34 -33.1 71.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.169 -0.957 . . . . 0.38 108.824 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.1 -57.05 14.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.534 -0.729 . . . . 1.2 109.682 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.06 -26.61 68.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 2.12 110.129 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.82 -60.93 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.06 -1.025 . . . . 0.26 110.128 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.22 -38.2 82.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.4 109.519 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.82 -36.06 76.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 2.09 109.358 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.765 HD11 ' OE1' ' D' ' 354' ' ' GLN . 38.1 tp -65.05 -40.75 95.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.75 109.38 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -50.69 71.01 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.877 -0.786 . . . . 2.19 108.877 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.19 -32.85 66.88 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.34 109.803 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.53 85.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.891 . . . . 0.72 109.798 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.656 ' OE1' HD11 ' D' ' 350' ' ' LEU . 5.0 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 1.8 109.801 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.286 0.565 . . . . 1.67 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -98.57 150.49 21.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.61 109.787 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.7 m-85 -139.78 137.51 35.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.56 108.923 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.581 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.6 p -93.11 166.55 12.29 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.217 -0.927 . . . . 0.43 110.198 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' D' ' 330' ' ' LEU . 25.0 tp -146.82 131.79 18.17 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.401 -0.812 . . . . 0.35 109.831 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.63 123.94 33.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 1.37 109.379 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.59 116.99 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.33 -0.857 . . . . 0.48 109.806 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -74.15 150.87 40.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.97 . . . . 2.08 109.341 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.21 133.22 6.85 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.3 ttt180 -82.94 -54.76 4.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.367 -1.078 . . . . 2.64 109.433 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.9 -45.85 85.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.321 -0.862 . . . . 2.22 109.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.08 -38.84 84.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.299 -0.876 . . . . 2.74 109.293 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' B' ' 329' ' ' THR . 77.7 t80 -54.72 -55.4 30.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.421 -0.799 . . . . 0.43 109.665 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.63 -34.9 39.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.362 -0.836 . . . . 1.69 109.879 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.06 -47.71 83.5 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.146 -0.971 . . . . 0.43 109.755 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.32 -44.82 96.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.245 -0.91 . . . . 0.27 109.178 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -53.11 -42.02 65.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 2.45 109.983 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.36 -49.6 77.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.209 -0.932 . . . . 1.75 109.896 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.3 -33.06 71.82 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.131 -0.98 . . . . 0.31 108.849 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.13 -57.1 14.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.525 -0.735 . . . . 1.22 109.618 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.13 -26.47 68.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 1.73 110.144 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.81 -60.9 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.138 -0.976 . . . . 0.28 110.179 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.14 -38.33 82.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.31 109.558 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.65 -36.09 75.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.91 109.528 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.656 HD11 ' OE1' ' C' ' 354' ' ' GLN . 37.9 tp -64.96 -40.92 95.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.164 -0.96 . . . . 0.43 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' HD22 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.96 -50.7 71.08 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 1.57 108.932 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -57.27 -32.66 66.83 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.623 -0.673 . . . . 1.44 109.807 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.45 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.64 109.777 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.765 ' OE1' HD11 ' C' ' 350' ' ' LEU . 5.0 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.928 . . . . 1.21 109.745 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 1.7 109.759 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -94.49 156.63 16.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.119 -0.988 . . . . 0.61 109.115 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.3 m-85 -140.34 -175.16 4.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.176 -0.953 . . . . 0.58 109.736 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.564 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.7 p -152.91 156.86 39.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.42 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.2 130.67 16.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.36 109.721 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.82 130.88 34.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 1.37 109.408 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' A' ' 341' ' ' PHE . 31.7 mt -123.51 116.04 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.47 109.268 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 149.19 43.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 2.1 109.445 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.65 133.73 4.15 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.525 -1.43 . . . . 0.42 109.525 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -75.3 -45.46 39.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -1.165 . . . . 2.68 109.486 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -46.62 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 2.22 109.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.524 ' HB2' ' NH1' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -59.3 -45.57 90.92 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 2.77 109.889 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.578 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.0 t80 -54.77 -55.73 26.94 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.372 -0.83 . . . . 0.43 109.858 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.58 -39.35 57.75 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.66 110.236 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.36 -47.7 81.03 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.09 -1.006 . . . . 0.44 110.537 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.33 -52.31 65.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.046 -1.034 . . . . 0.29 109.444 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.79 -38.25 47.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.39 -0.819 . . . . 2.44 109.631 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.21 -42.84 99.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.74 109.848 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 84.3 mt -62.5 -46.07 90.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.197 -0.94 . . . . 0.3 109.564 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.17 -44.0 87.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.388 -0.82 . . . . 1.22 109.958 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.66 97.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.72 110.023 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.33 -52.73 64.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 0.27 110.176 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.01 -40.35 93.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.267 -0.895 . . . . 0.29 109.793 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.91 109.64 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 22.5 tp -63.71 -44.58 93.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -0.892 . . . . 0.41 109.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.87 -48.2 80.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.311 -0.868 . . . . 1.56 109.233 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.46 -31.88 66.39 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.477 -0.765 . . . . 1.43 109.792 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.43 90.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.66 109.523 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 1.18 109.533 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.247 0.546 . . . . 1.61 109.763 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -94.38 156.63 16.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.301 -0.874 . . . . 0.57 109.096 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 70.3 m-85 -140.48 -175.28 4.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.094 -1.004 . . . . 0.53 109.694 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.503 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 17.8 p -152.77 157.01 40.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.38 109.228 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.25 130.64 16.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.17 -0.956 . . . . 0.36 109.66 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.89 131.0 34.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 1.36 109.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' B' ' 341' ' ' PHE . 31.4 mt -123.56 115.91 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.229 -0.92 . . . . 0.49 109.383 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 149.21 43.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 2.1 109.412 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.55 133.79 4.12 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.589 -1.405 . . . . 0.44 109.589 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.2 ttt180 -75.36 -45.42 39.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -1.122 . . . . 2.72 109.453 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.33 -46.76 85.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.825 . . . . 2.21 109.444 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.513 ' HB2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -59.4 -45.54 91.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.228 -0.92 . . . . 2.79 109.802 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.1 t80 -54.74 -55.65 27.67 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.421 -0.799 . . . . 0.45 109.887 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.56 -39.36 57.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.874 . . . . 1.68 110.277 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.43 -47.72 80.75 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.087 -1.008 . . . . 0.43 110.493 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' B' ' 332' ' ' ILE . 28.2 m-85 -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.989 -1.07 . . . . 0.28 109.462 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.84 -38.26 47.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.344 -0.848 . . . . 2.52 109.582 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.19 -42.93 99.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.124 -0.985 . . . . 1.75 109.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 84.7 mt -62.35 -46.21 89.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.335 -0.853 . . . . 0.31 109.614 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.04 -43.98 87.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.29 -0.881 . . . . 1.21 109.991 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.304 -0.873 . . . . 1.69 110.021 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.44 -52.64 64.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.27 110.143 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.153 -0.967 . . . . 0.3 109.874 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 1.93 109.805 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 22.2 tp -63.69 -44.63 93.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -0.904 . . . . 0.4 109.596 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.78 -48.23 80.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.435 -0.791 . . . . 1.59 109.281 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.34 -32.01 66.29 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.563 -0.711 . . . . 1.43 109.735 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.29 90.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.65 109.577 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 1.19 109.493 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.194 0.521 . . . . 2.11 109.807 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -94.35 156.65 16.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.64 109.145 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.4 m-85 -140.43 -175.17 4.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.141 -0.974 . . . . 0.49 109.68 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.56 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 17.6 p -152.88 156.87 39.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.363 -0.836 . . . . 0.47 109.208 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.21 130.65 16.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.119 -0.988 . . . . 0.42 109.68 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -86.93 131.03 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 1.81 109.405 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.595 HG21 ' HD2' ' C' ' 341' ' ' PHE . 31.8 mt -123.56 116.06 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.42 109.31 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 149.17 43.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 2.35 109.393 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.76 4.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.548 -1.421 . . . . 0.41 109.548 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.4 ttt180 -75.34 -45.43 39.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -1.13 . . . . 2.59 109.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.3 -46.75 85.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 2.54 109.449 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.295 -0.878 . . . . 3.39 109.904 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.586 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.71 -55.79 26.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.434 -0.792 . . . . 0.47 109.816 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.49 -39.42 57.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 1.66 110.266 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.39 -47.77 80.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.076 -1.015 . . . . 0.61 110.399 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' C' ' 332' ' ' ILE . 28.4 m-85 -61.3 -52.18 65.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.1 -1.0 . . . . 0.33 109.506 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.87 -38.29 48.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.301 -0.874 . . . . 3.28 109.58 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.17 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 1.78 109.77 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' D' ' 344' ' ' LEU . 84.2 mt -62.49 -46.19 89.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.38 109.539 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -57.95 -44.17 86.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 1.2 109.915 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.56 97.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.294 -0.879 . . . . 2.12 110.088 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.39 -52.62 64.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.245 -0.909 . . . . 0.26 110.198 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.09 -40.39 93.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -0.958 . . . . 0.4 109.737 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.99 -36.44 79.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 2.09 109.656 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 22.4 tp -63.59 -44.79 92.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.75 109.559 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.69 -48.36 79.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 2.19 109.215 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.37 -31.95 66.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.457 -0.777 . . . . 1.34 109.754 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.34 90.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.72 109.559 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 1.8 109.52 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.338 0.59 . . . . 1.67 109.815 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -94.45 156.65 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.61 109.009 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.6 m-85 -140.54 -175.31 4.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.56 109.678 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.7 p -152.73 156.9 40.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 0.43 109.17 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.24 130.7 16.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 0.35 109.632 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 16.1 tt0 -86.84 131.03 34.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.37 109.345 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.593 HG21 ' HD2' ' D' ' 341' ' ' PHE . 32.2 mt -123.71 115.95 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.48 109.223 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 149.21 43.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 2.08 109.458 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.81 4.15 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.596 -1.402 . . . . 0.4 109.596 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -75.41 -45.41 39.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -1.144 . . . . 2.64 109.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -58.25 -46.71 85.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.318 -0.864 . . . . 2.22 109.562 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -59.35 -45.58 90.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.292 -0.88 . . . . 2.74 109.873 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' D' ' 332' ' ' ILE . 53.5 t80 -54.74 -55.69 27.26 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.402 -0.811 . . . . 0.43 109.884 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.54 -39.4 57.66 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.296 -0.877 . . . . 1.69 110.288 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.4 -47.72 80.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.034 -1.041 . . . . 0.43 110.507 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.593 ' HD2' HG21 ' D' ' 332' ' ' ILE . 28.1 m-85 -61.32 -52.22 65.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.009 -1.057 . . . . 0.27 109.431 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.85 -38.29 48.29 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.426 -0.796 . . . . 2.45 109.522 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -61.15 -42.89 99.36 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.161 -0.962 . . . . 1.75 109.85 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' C' ' 344' ' ' LEU . 84.6 mt -62.35 -46.2 89.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.31 109.576 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.11 -44.03 87.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.385 -0.822 . . . . 1.22 109.945 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.4 -40.57 97.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 1.73 110.056 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.3 -52.85 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.28 110.189 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.93 -40.34 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 0.31 109.809 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.01 -36.43 79.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 1.91 109.755 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 22.4 tp -63.75 -44.5 93.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.881 . . . . 0.43 109.627 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.85 -48.23 79.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.453 -0.78 . . . . 1.57 109.207 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.37 -31.93 66.28 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.602 -0.686 . . . . 1.44 109.761 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.33 90.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.64 109.516 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 1.21 109.503 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.282 0.563 . . . . 1.7 109.608 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -95.58 144.92 25.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 0.61 109.401 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 51.0 m-85 -138.66 137.28 36.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.16 -0.962 . . . . 0.58 109.243 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 19.4 p -92.12 176.66 6.42 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.453 -0.779 . . . . 0.42 109.716 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' C' ' 342' ' ' ARG . 15.2 tp -148.83 129.13 13.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.481 -0.762 . . . . 0.36 109.05 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.66 120.46 27.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 1.37 109.802 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 341' ' ' PHE . 42.5 mt -123.88 106.66 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.47 109.427 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -73.75 139.06 44.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 2.1 109.51 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.05 7.54 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 13.5 ttp180 -82.21 -59.59 2.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -1.188 . . . . 2.68 109.529 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.47 -40.83 83.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.899 . . . . 2.22 109.563 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.836 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -62.55 -44.2 96.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.863 . . . . 2.77 109.298 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 24.5 t80 -54.9 -47.09 74.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.402 -0.811 . . . . 0.43 109.288 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.19 -40.97 59.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.66 110.005 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -62.72 -46.23 89.06 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.936 . . . . 0.44 110.273 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 22.1 m-85 -61.02 -56.26 23.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.064 -1.023 . . . . 0.29 109.409 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' C' ' 330' ' ' LEU . 9.1 ttm180 -49.93 -34.44 20.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.402 -0.812 . . . . 2.44 109.597 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.44 -49.98 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 1.74 109.435 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 344' ' ' LEU . 96.5 mt -61.42 -34.98 76.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.3 108.929 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.16 66.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.389 -0.819 . . . . 1.22 109.506 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.8 -33.24 74.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.377 -0.827 . . . . 1.72 109.91 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.96 -53.63 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.254 -0.904 . . . . 0.27 110.065 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' NH1' ' C' ' 337' ' ' ARG . 59.2 mt -61.22 -41.12 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.29 109.762 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.09 -37.45 82.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 1.91 110.001 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.9 -44.78 88.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.41 109.506 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.0 ttmt -61.67 -43.65 98.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 1.56 109.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.25 -33.12 67.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.525 -0.734 . . . . 1.43 109.794 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.35 87.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.66 109.791 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.139 -0.976 . . . . 1.18 109.601 -179.818 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.374 0.607 . . . . 1.61 109.586 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.61 145.04 25.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.968 . . . . 0.57 109.418 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 51.1 m-85 -138.79 137.34 36.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.53 109.225 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 19.0 p -92.3 176.46 6.47 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.363 -0.836 . . . . 0.38 109.719 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' D' ' 342' ' ' ARG . 15.2 tp -148.61 129.19 14.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.432 -0.793 . . . . 0.36 109.06 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.36 27.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.839 . . . . 1.36 109.831 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' B' ' 341' ' ' PHE . 42.7 mt -123.78 106.72 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.49 109.378 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.84 139.1 44.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.1 109.432 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.18 136.97 7.5 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.753 -1.339 . . . . 0.44 109.753 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 13.5 ttp180 -81.99 -59.76 2.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.251 -1.147 . . . . 2.72 109.515 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.95 83.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.229 -0.919 . . . . 2.21 109.522 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.775 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.1 tpp180 -62.45 -44.22 96.94 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.359 -0.838 . . . . 2.79 109.256 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 24.6 t80 -54.83 -47.33 74.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.372 -0.83 . . . . 0.45 109.266 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.14 -40.79 59.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.68 110.01 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.79 -46.34 88.44 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 0.43 110.203 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.642 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 21.9 m-85 -61.01 -56.2 23.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.28 109.431 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.599 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.1 ttm180 -50.05 -34.45 21.53 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.352 -0.843 . . . . 2.52 109.49 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.4 -49.96 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.064 -1.023 . . . . 1.75 109.534 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 344' ' ' LEU . 96.5 mt -61.33 -34.99 76.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.304 -0.873 . . . . 0.31 109.022 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.3 t-20 -58.89 -52.14 67.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.47 -0.769 . . . . 1.21 109.465 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.79 -33.29 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.415 -0.803 . . . . 1.69 109.837 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.02 -53.63 54.85 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.27 109.999 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.763 HD22 ' NH1' ' D' ' 337' ' ' ARG . 58.7 mt -61.12 -41.33 96.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.3 109.764 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.85 -37.6 82.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.353 -0.842 . . . . 1.93 109.989 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.88 -44.72 88.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.4 109.581 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.0 ttmt -61.62 -43.77 98.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.431 -0.793 . . . . 1.59 109.243 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.03 67.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.528 -0.733 . . . . 1.43 109.839 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.44 87.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.186 -0.946 . . . . 0.65 109.864 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 1.19 109.624 -179.832 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.278 0.561 . . . . 2.11 109.57 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 15.2 m-85 -95.47 145.05 25.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.64 109.444 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 50.8 m-85 -138.82 137.33 36.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.27 -0.894 . . . . 0.49 109.223 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.31 176.43 6.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.509 -0.744 . . . . 0.47 109.729 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' ' 342' ' ' ARG . 15.2 tp -148.61 129.1 13.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.407 -0.808 . . . . 0.42 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.51 27.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.81 109.844 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.519 HD13 ' CB ' ' C' ' 341' ' ' PHE . 43.1 mt -123.96 106.65 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.42 109.399 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 139.17 44.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 2.35 109.467 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.19 137.04 7.52 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.671 -1.372 . . . . 0.41 109.671 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 13.5 ttp180 -82.12 -59.58 2.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -1.092 . . . . 2.59 109.517 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.98 83.88 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.867 . . . . 2.54 109.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.766 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.27 96.77 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.268 -0.895 . . . . 3.39 109.174 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.81 -47.23 74.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.396 -0.815 . . . . 0.47 109.248 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.18 -40.86 59.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 1.66 109.998 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.83 -46.15 89.26 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.61 110.27 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 22.3 m-85 -60.93 -56.44 21.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.135 -0.978 . . . . 0.33 109.385 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 330' ' ' LEU . 9.1 ttm180 -49.96 -34.38 20.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 3.28 109.522 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.46 -49.87 75.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.196 -0.94 . . . . 1.78 109.543 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' D' ' 344' ' ' LEU . 96.5 mt -61.44 -34.98 76.34 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.38 109.021 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.07 67.32 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.392 -0.818 . . . . 1.2 109.508 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -62.79 -33.26 74.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.435 -0.791 . . . . 2.12 109.88 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.07 -53.7 53.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.26 109.921 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 HH12 ' A' ' 337' ' ' ARG . 58.9 mt -61.08 -41.46 96.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.4 109.724 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.53 82.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 2.09 109.944 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.673 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -65.03 -44.57 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.75 109.566 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 2.19 109.393 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.39 -33.0 67.38 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 1.34 109.868 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.4 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.72 109.758 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 1.8 109.628 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.58 -0.526 . . . . 1.67 109.58 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 15.0 m-85 -95.61 145.06 25.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.61 109.392 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 50.4 m-85 -138.79 137.25 36.5 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.18 -0.95 . . . . 0.56 109.33 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.25 176.3 6.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.455 -0.778 . . . . 0.43 109.713 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' B' ' 342' ' ' ARG . 15.2 tp -148.46 129.17 14.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.35 109.11 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.61 120.39 27.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.218 -0.926 . . . . 1.37 109.862 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CB ' ' D' ' 341' ' ' PHE . 42.8 mt -123.9 106.57 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 0.48 109.526 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 139.13 45.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.293 -0.879 . . . . 2.08 109.507 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.12 137.0 7.53 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.834 -1.306 . . . . 0.4 109.834 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 13.4 ttp180 -82.18 -59.58 2.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -1.107 . . . . 2.64 109.494 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.38 -40.99 83.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 2.22 109.53 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.763 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.29 96.72 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.27 -0.894 . . . . 2.74 109.175 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.4 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 24.7 t80 -54.72 -47.26 73.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.43 109.359 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.12 -40.85 59.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.217 -0.927 . . . . 1.69 110.092 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.2 ttp -62.69 -46.42 88.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.126 -0.984 . . . . 0.43 110.169 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.638 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 22.2 m-85 -60.89 -56.4 21.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.27 109.458 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.585 ' HA ' HD11 ' B' ' 330' ' ' LEU . 9.1 ttm180 -49.84 -34.51 20.09 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.283 -0.886 . . . . 2.45 109.536 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.41 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 1.75 109.593 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' C' ' 344' ' ' LEU . 96.5 mt -61.29 -35.1 76.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.198 -0.939 . . . . 0.31 109.028 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.435 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.2 t-20 -58.69 -52.22 66.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.423 -0.798 . . . . 1.22 109.553 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.75 -33.37 75.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 1.73 109.833 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.85 -53.76 53.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.915 . . . . 0.28 109.956 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.775 HD22 ' NH1' ' B' ' 337' ' ' ARG . 59.5 mt -61.11 -41.42 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.31 109.728 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.5 82.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.91 110.023 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.672 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.95 -44.67 88.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.43 109.568 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.515 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.72 98.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 1.57 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.17 -33.22 67.22 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.584 -0.698 . . . . 1.44 109.837 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.45 87.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.64 109.838 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.924 . . . . 1.21 109.678 -179.888 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.271 0.558 . . . . 1.7 109.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.0 m-85 -93.39 152.39 19.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.21 -0.931 . . . . 0.61 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.5 m-85 -139.24 -168.7 2.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.58 109.663 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.8 p -152.42 160.92 43.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.862 . . . . 0.42 109.465 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.9 133.52 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.36 109.404 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.44 129.11 34.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.334 -0.854 . . . . 1.37 109.403 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 338' ' ' PHE . 30.5 mt -123.94 118.57 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.47 109.485 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.97 150.15 40.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.848 . . . . 2.1 109.588 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 134.22 5.36 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.727 -1.349 . . . . 0.42 109.727 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.84 -53.7 6.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.176 -1.191 . . . . 2.68 109.327 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -46.17 87.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 2.22 109.274 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.446 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 0.4 OUTLIER -60.99 -41.24 96.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.354 -0.841 . . . . 2.77 109.318 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 332' ' ' ILE . 49.2 t80 -55.23 -56.12 23.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.465 -0.772 . . . . 0.43 109.593 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.87 -33.62 24.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.404 -0.81 . . . . 1.66 109.867 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.37 75.19 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.44 109.916 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.38 -48.88 79.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.29 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.51 -37.98 51.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 2.44 109.503 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -47.7 84.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.311 -0.868 . . . . 1.74 109.659 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 344' ' ' LEU . 49.2 mt -61.46 -33.98 74.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.27 -0.893 . . . . 0.3 108.735 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.71 -57.46 12.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.495 -0.753 . . . . 1.22 109.429 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -26.11 68.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.72 109.824 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.97 -57.9 10.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.144 -0.973 . . . . 0.27 110.022 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.66 -40.13 90.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.29 109.461 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -35.63 73.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.239 -0.913 . . . . 1.91 109.294 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.578 HD22 ' HD3' ' B' ' 351' ' ' LYS . 10.3 tp -64.98 -40.73 95.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.376 -0.827 . . . . 0.41 109.222 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.426 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -62.51 -50.36 71.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.461 -0.774 . . . . 1.56 109.073 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -30.11 60.75 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.616 -0.677 . . . . 1.43 109.702 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.74 82.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.897 . . . . 0.66 109.736 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.41 ' OE1' HD21 ' B' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 1.18 109.612 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.327 0.584 . . . . 1.61 109.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 7.8 m-85 -93.36 152.33 19.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.228 -0.92 . . . . 0.57 109.264 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 68.8 m-85 -139.27 -168.72 2.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.296 -0.878 . . . . 0.53 109.723 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.9 p -152.38 160.87 43.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.38 109.504 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.3 tp -148.81 133.46 17.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.36 109.522 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.18 34.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.36 109.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 338' ' ' PHE . 30.9 mt -123.97 118.52 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.49 109.506 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.94 150.2 40.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 2.1 109.652 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.57 134.18 5.27 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.784 -1.326 . . . . 0.44 109.784 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -80.7 -53.77 6.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -1.191 . . . . 2.72 109.398 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -46.33 86.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 2.21 109.293 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 0.4 OUTLIER -60.91 -41.3 95.87 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.313 -0.867 . . . . 2.79 109.296 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.484 ' CD1' HD12 ' B' ' 332' ' ' ILE . 49.3 t80 -55.28 -56.01 24.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.799 . . . . 0.45 109.6 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.01 -33.48 25.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.341 -0.85 . . . . 1.68 109.9 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.44 74.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.164 -0.96 . . . . 0.43 109.893 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -48.8 79.52 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.28 109.307 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.53 -38.06 52.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 2.52 109.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.78 84.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.157 -0.965 . . . . 1.75 109.675 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 344' ' ' LEU . 49.6 mt -61.4 -33.96 74.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.31 108.729 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.84 -57.4 13.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.457 -0.777 . . . . 1.21 109.404 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -26.11 68.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 1.69 109.793 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.96 -58.0 10.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.27 109.979 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.401 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 38.4 mt -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.3 109.488 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.11 -35.69 73.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 1.93 109.39 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.426 HD22 ' HD3' ' A' ' 351' ' ' LYS . 10.3 tp -64.97 -40.67 95.33 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.4 109.304 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.578 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.4 -50.4 71.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.662 0.744 . . . . 1.59 109.065 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -30.04 61.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.708 -0.62 . . . . 1.43 109.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.98 81.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.815 . . . . 0.65 109.638 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.107 -0.996 . . . . 1.19 109.689 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.493 -0.558 . . . . 2.11 109.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 7.9 m-85 -93.3 152.4 19.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.29 -0.881 . . . . 0.64 109.283 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.5 m-85 -139.23 -168.71 2.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 0.49 109.705 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.9 p -152.38 160.98 43.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.47 109.445 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.4 tp -148.96 133.41 17.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.949 . . . . 0.42 109.494 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 17.2 tt0 -86.32 129.01 35.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 1.81 109.472 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.486 HD12 ' CD1' ' C' ' 338' ' ' PHE . 30.5 mt -123.87 118.58 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.42 109.587 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.99 150.1 40.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 2.35 109.703 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.61 134.2 5.3 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.822 -1.311 . . . . 0.41 109.822 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.47 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.69 -53.87 6.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -1.142 . . . . 2.59 109.301 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -46.41 86.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 2.54 109.326 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -41.27 95.5 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.332 -0.855 . . . . 3.39 109.342 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' C' ' 332' ' ' ILE . 49.6 t80 -55.25 -56.07 24.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 0.47 109.611 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.98 -33.56 25.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 1.66 109.912 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.77 -49.34 75.38 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.183 -0.948 . . . . 0.61 109.942 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.46 -49.04 78.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.33 109.113 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.4 -37.98 51.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 3.28 109.485 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -47.69 84.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.249 -0.907 . . . . 1.78 109.715 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' D' ' 344' ' ' LEU . 49.7 mt -61.52 -33.81 74.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.38 108.773 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.86 -57.4 13.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.438 -0.788 . . . . 1.2 109.4 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -26.01 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.438 -0.789 . . . . 2.12 109.727 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.03 -57.95 10.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.311 -0.868 . . . . 0.26 109.966 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.446 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 37.7 mt -60.63 -40.24 91.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.4 109.427 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.07 -35.68 73.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 2.09 109.316 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 10.3 tp -64.95 -40.74 95.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.75 109.25 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.28 72.13 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 2.19 109.132 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.708 -0.62 . . . . 1.34 109.634 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.98 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.72 109.699 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.143 -0.973 . . . . 1.8 109.645 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.542 -0.54 . . . . 1.67 109.542 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 7.8 m-85 -93.29 152.39 19.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.61 109.328 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.5 m-85 -139.28 -168.67 2.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.957 . . . . 0.56 109.656 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.8 p -152.4 160.87 43.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.43 109.463 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.82 133.45 17.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.35 109.508 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.1 34.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.344 -0.847 . . . . 1.37 109.441 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.478 HD12 ' CD1' ' D' ' 338' ' ' PHE . 30.4 mt -123.94 118.47 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.48 109.509 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.92 150.11 41.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -0.842 . . . . 2.08 109.733 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.55 134.18 5.26 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.825 -1.31 . . . . 0.4 109.825 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -80.62 -53.9 6.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -1.114 . . . . 2.64 109.308 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -46.45 86.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 2.22 109.248 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 0.4 OUTLIER -60.78 -41.27 95.22 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.292 -0.88 . . . . 2.74 109.304 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.25 -56.01 24.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.789 . . . . 0.43 109.625 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.06 -33.53 26.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.432 -0.792 . . . . 1.69 109.866 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.73 -49.38 75.26 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.169 -0.957 . . . . 0.43 109.897 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -49.01 78.56 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.281 -0.887 . . . . 0.27 109.185 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.36 -38.09 51.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 2.45 109.572 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -47.71 84.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.145 -0.972 . . . . 1.75 109.686 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' C' ' 344' ' ' LEU . 49.7 mt -61.45 -33.96 74.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.31 108.739 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.72 -57.44 12.99 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.415 -0.803 . . . . 1.22 109.407 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -25.97 68.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.355 -0.841 . . . . 1.73 109.728 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.07 -57.83 10.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.28 110.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 37.6 mt -60.65 -40.1 90.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.31 109.522 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.23 -35.63 73.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.922 . . . . 1.91 109.297 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' C' ' 354' ' ' GLN . 10.3 tp -64.84 -40.78 95.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.43 109.339 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -62.42 -50.29 72.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.433 -0.792 . . . . 1.57 109.129 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -29.98 60.97 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.645 -0.659 . . . . 1.44 109.679 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.04 81.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.271 -0.893 . . . . 0.64 109.731 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 1.21 109.684 -179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.247 -0.649 . . . . 1.7 109.247 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 6.9 m-85 -91.77 153.39 19.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.61 109.394 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.4 m-85 -136.08 -171.26 2.83 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.317 -0.864 . . . . 0.58 109.662 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 13.4 p -151.78 158.53 43.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 0.42 109.067 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.65 133.67 18.17 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.393 -0.817 . . . . 0.36 109.45 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 2.9 tt0 -87.02 129.07 35.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 1.37 109.332 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.9 mt -124.09 113.21 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.47 109.444 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 148.39 42.05 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.173 -0.954 . . . . 2.1 109.826 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.7 132.1 6.89 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.709 -1.356 . . . . 0.42 109.709 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.7 ttt180 -75.05 -58.22 3.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -1.16 . . . . 2.68 109.581 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -44.25 84.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 2.22 109.659 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -42.64 95.32 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.28 -0.887 . . . . 2.77 109.53 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.6 t80 -56.18 -55.56 31.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.43 109.839 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.37 -37.64 49.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.367 -0.833 . . . . 1.66 110.012 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.53 -48.61 78.78 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.197 -0.94 . . . . 0.44 109.79 -179.111 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 29.6 m-85 -59.79 -52.06 67.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.028 -1.045 . . . . 0.29 109.412 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.34 -38.57 59.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.421 -0.799 . . . . 2.44 109.942 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -58.85 -42.84 90.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 1.74 109.767 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' B' ' 344' ' ' LEU . 64.9 mt -61.71 -45.7 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.3 109.461 -179.455 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -57.9 -43.87 86.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 1.22 109.757 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.448 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 3.2 mt-10 -63.01 -37.9 89.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 1.72 109.966 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.38 -52.07 66.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.27 109.879 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.475 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 21.7 mt -60.6 -40.54 92.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.29 109.476 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.31 -38.81 81.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 1.91 109.711 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 21.5 tp -64.03 -42.23 97.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.41 109.575 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 14.7 ttmt -61.99 -45.84 91.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.169 -0.957 . . . . 1.56 109.121 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.74 -30.64 65.73 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.542 -0.724 . . . . 1.43 109.816 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.52 81.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.541 -0.724 . . . . 0.66 109.878 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.419 ' OE1' HD21 ' B' ' 350' ' ' LEU . 8.8 mt-30 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.986 . . . . 1.18 109.88 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.341 -0.614 . . . . 1.61 109.341 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 6.3 m-85 -91.74 153.44 19.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.57 109.475 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -136.14 -171.08 2.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.53 109.61 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.7 p -151.81 158.6 43.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.38 109.183 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.6 tp -148.61 133.78 18.31 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.2 -0.937 . . . . 0.36 109.545 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 2.9 tt0 -86.99 128.82 35.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.352 -0.843 . . . . 1.36 109.368 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.0 mt -123.89 113.24 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.49 109.447 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.51 42.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 2.1 109.732 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.63 132.21 6.92 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 62.4 ttt180 -75.18 -58.16 3.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -1.191 . . . . 2.72 109.587 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.7 -44.12 85.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 2.21 109.599 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -60.18 -42.41 94.95 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.127 -0.983 . . . . 2.79 109.6 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.5 t80 -56.14 -55.93 27.02 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.438 -0.789 . . . . 0.45 109.821 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -51.06 -37.55 46.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 1.68 109.998 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.5 -48.76 78.14 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.276 -0.89 . . . . 0.43 109.86 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 29.3 m-85 -59.85 -52.02 67.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.037 -1.039 . . . . 0.28 109.362 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -52.34 -38.68 59.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.481 -0.762 . . . . 2.52 109.824 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.75 -42.65 89.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.941 . . . . 1.75 109.886 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' A' ' 344' ' ' LEU . 64.1 mt -61.92 -45.49 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.2 -0.937 . . . . 0.31 109.538 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -58.11 -43.75 87.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 1.21 109.632 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 3.3 mt-10 -63.01 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 1.69 109.918 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -52.21 66.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.27 109.943 -179.507 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 21.7 mt -60.66 -40.29 91.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.3 109.516 -179.624 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.56 -38.89 82.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.213 -0.929 . . . . 1.93 109.633 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.419 HD21 ' OE1' ' A' ' 354' ' ' GLN . 22.3 tp -63.91 -42.2 97.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.4 109.536 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.4 ttmt -62.07 -45.89 91.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 1.59 109.177 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.69 -30.75 65.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.54 -0.725 . . . . 1.43 109.755 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.29 81.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.65 109.988 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.19 109.784 -179.818 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.285 -0.635 . . . . 2.11 109.285 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 6.2 m-85 -91.84 153.25 19.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.937 . . . . 0.64 109.418 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.2 m-85 -135.82 -170.91 2.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.49 109.484 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 13.4 p -151.95 158.42 43.11 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.309 -0.87 . . . . 0.47 109.13 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -148.69 133.72 18.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.02 128.95 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.373 -0.829 . . . . 1.81 109.364 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.2 mt -124.06 113.16 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.42 109.523 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 148.3 42.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 2.35 109.719 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.94 132.38 7.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 62.5 ttt180 -75.14 -58.53 3.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -1.18 . . . . 2.59 109.555 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -44.29 83.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 2.54 109.736 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.05 -42.62 94.86 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.308 -0.87 . . . . 3.39 109.647 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -56.17 -55.8 28.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.354 -0.841 . . . . 0.47 109.756 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.86 -37.81 45.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.908 . . . . 1.66 110.073 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.41 -48.53 79.31 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.24 -0.912 . . . . 0.61 110.024 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 29.1 m-85 -60.03 -52.22 66.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.33 109.324 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -52.2 -38.79 58.95 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.423 -0.798 . . . . 3.28 109.75 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.76 -42.57 89.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.198 -0.939 . . . . 1.78 109.991 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.84 -45.73 92.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.227 -0.921 . . . . 0.38 109.474 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.87 -43.63 86.12 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.2 109.762 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.418 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 3.3 mt-10 -63.15 -37.98 89.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.308 -0.87 . . . . 2.12 109.813 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.34 -52.14 66.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.892 . . . . 0.26 110.01 -179.33 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.492 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 21.6 mt -60.65 -40.44 92.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.4 109.393 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.32 -38.86 81.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 2.09 109.686 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 21.7 tp -64.07 -42.08 97.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 0.75 109.595 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.09 -45.85 91.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.19 109.18 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.82 -30.57 65.83 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.588 -0.695 . . . . 1.34 109.645 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.79 81.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.44 -0.787 . . . . 0.72 109.957 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 1.8 109.79 -179.799 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.148 -0.686 . . . . 1.67 109.148 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 6.4 m-85 -91.84 153.44 19.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 0.61 109.393 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 83.7 m-85 -136.03 -171.03 2.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.425 -0.797 . . . . 0.56 109.579 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 13.4 p -152.17 158.05 42.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.416 -0.803 . . . . 0.43 109.106 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.34 133.83 18.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 0.35 109.561 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -86.93 128.87 35.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.26 -0.9 . . . . 1.37 109.427 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.2 mt -124.0 113.34 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.282 -0.886 . . . . 0.48 109.468 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.37 42.51 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.348 -0.845 . . . . 2.08 109.692 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.67 132.52 7.06 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.774 -1.33 . . . . 0.4 109.774 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.607 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 62.3 ttt180 -75.35 -58.51 3.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -1.073 . . . . 2.64 109.528 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -44.47 84.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.394 -0.816 . . . . 2.22 109.681 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.92 -42.47 94.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 2.74 109.756 -179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.5 t80 -56.16 -55.68 30.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.835 . . . . 0.43 109.804 -179.651 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -51.23 -37.62 47.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.69 110.012 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -62.56 -48.48 79.3 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.157 -0.964 . . . . 0.43 109.915 -179.03 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 29.2 m-85 -60.03 -52.25 66.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.27 109.316 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.16 -38.74 58.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.337 -0.852 . . . . 2.45 109.827 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.65 -42.82 89.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.113 -0.992 . . . . 1.75 109.834 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' C' ' 344' ' ' LEU . 67.2 mt -61.67 -45.68 92.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.287 -0.883 . . . . 0.31 109.605 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.93 -43.66 86.44 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.29 -0.881 . . . . 1.22 109.67 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.28 -37.94 89.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.73 109.862 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.23 -52.06 66.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.199 -0.938 . . . . 0.28 109.881 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 21.0 mt -60.61 -40.55 92.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 0.31 109.49 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.56 -38.7 81.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.355 -0.841 . . . . 1.91 109.557 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.94 -42.36 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.149 -0.969 . . . . 0.43 109.503 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.466 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 14.4 ttmt -61.78 -46.08 91.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.57 109.29 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.69 -30.88 65.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.579 -0.701 . . . . 1.44 109.667 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.66 81.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.346 -0.846 . . . . 0.64 110.037 -179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 1.21 109.764 -179.756 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.278 0.561 . . . . 1.7 109.799 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 19.9 m-85 -94.93 154.87 17.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.204 -0.935 . . . . 0.61 108.892 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 87.6 m-85 -139.31 -172.73 3.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 0.58 109.945 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -153.1 160.06 42.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.402 -0.811 . . . . 0.42 109.085 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -149.79 131.3 14.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.145 -0.972 . . . . 0.36 109.663 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 41.3 tt0 -86.28 127.16 34.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.345 -0.847 . . . . 1.37 109.442 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.3 mt -124.12 112.68 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.169 -0.957 . . . . 0.47 109.716 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.55 149.4 42.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 2.1 109.318 179.755 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.46 131.86 7.28 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.639 -1.384 . . . . 0.42 109.639 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -74.01 -65.76 0.8 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.074 . . . . 2.68 109.57 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.44 -39.05 82.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 2.22 109.822 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -46.04 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.204 -0.935 . . . . 2.77 109.674 -179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.1 t80 -55.03 -55.68 28.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.825 . . . . 0.43 109.758 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.72 -33.96 24.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.333 -0.854 . . . . 1.66 109.935 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.36 -50.73 70.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.197 -0.939 . . . . 0.44 109.93 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.434 ' HB2' HD13 ' A' ' 332' ' ' ILE . 18.3 m-85 -60.99 -48.47 81.67 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.233 -0.917 . . . . 0.29 109.25 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -51.6 -38.12 53.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.439 -0.788 . . . . 2.44 109.649 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.81 -48.4 81.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.188 -0.945 . . . . 1.74 109.604 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' B' ' 344' ' ' LEU . 71.0 mt -61.86 -33.32 73.98 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.211 -0.931 . . . . 0.3 108.69 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.13 25.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.518 -0.739 . . . . 1.22 109.602 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.63 -30.46 71.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 1.72 109.896 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.14 -55.33 33.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.27 109.95 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.78 -33.52 73.1 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.29 109.6 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.38 -40.17 95.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.948 . . . . 1.91 109.771 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.47 -49.48 71.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.884 . . . . 0.41 109.666 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' B' ' 346' ' ' GLU . 0.2 OUTLIER -60.35 -39.16 86.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.924 . . . . 1.56 108.835 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.69 -33.0 67.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.495 -0.558 . . . . 1.43 109.495 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.27 87.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.66 109.075 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.751 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.398 -0.814 . . . . 1.18 109.331 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.199 0.523 . . . . 1.61 109.828 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.479 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 19.9 m-85 -94.83 154.82 17.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.57 108.878 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.5 m-85 -139.39 -172.71 3.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.94 -1.1 . . . . 0.53 109.923 -179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.9 p -152.95 160.12 43.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.336 -0.852 . . . . 0.38 109.186 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.1 tp -149.87 131.31 14.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.206 -0.934 . . . . 0.36 109.617 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.32 127.16 34.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 1.36 109.423 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' B' ' 341' ' ' PHE . 34.3 mt -124.17 112.58 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.49 109.703 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.506 ' HD2' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.49 149.32 42.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.1 109.289 179.821 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.53 131.96 7.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.586 -1.406 . . . . 0.44 109.586 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.0 ttt180 -74.02 -65.69 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -1.14 . . . . 2.72 109.672 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.42 -39.09 82.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.82 . . . . 2.21 109.864 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -45.91 91.14 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 2.79 109.744 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.12 -55.58 29.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.316 -0.865 . . . . 0.45 109.814 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.76 -33.94 25.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.68 109.842 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.38 -50.73 70.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.235 -0.916 . . . . 0.43 109.944 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.44 ' HB2' HD13 ' B' ' 332' ' ' ILE . 18.3 m-85 -60.96 -48.59 81.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.28 109.167 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.61 -38.15 53.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.817 . . . . 2.52 109.593 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.74 -48.44 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 1.75 109.631 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' A' ' 344' ' ' LEU . 71.2 mt -61.9 -33.33 74.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.182 -0.949 . . . . 0.31 108.729 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.546 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.8 t-20 -59.89 -56.11 25.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.494 -0.754 . . . . 1.21 109.559 179.743 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 351' ' ' LYS . 15.6 tt0 -63.56 -30.58 71.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.868 . . . . 1.69 109.87 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.97 -55.46 32.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.27 109.939 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.75 -33.52 73.06 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.379 -0.826 . . . . 0.3 109.633 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.41 -40.12 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 1.93 109.868 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.751 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.3 tt -64.38 -49.57 71.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.316 -0.865 . . . . 0.4 109.689 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -39.16 85.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.59 108.92 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.63 -33.03 67.83 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.27 0.557 . . . . 1.43 109.601 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.43 88.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.359 -0.838 . . . . 0.65 109.191 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.417 ' OE1' HD11 ' A' ' 350' ' ' LEU . 23.7 mt-30 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.19 109.31 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.191 0.52 . . . . 2.11 109.909 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 19.6 m-85 -94.93 154.78 17.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.195 -0.941 . . . . 0.64 108.863 179.337 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.6 m-85 -139.27 -172.74 3.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.078 -1.014 . . . . 0.49 109.978 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 40.8 p -152.99 160.09 42.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 0.47 109.095 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.1 tp -149.82 131.41 14.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.42 109.66 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.39 127.27 34.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 1.81 109.392 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' C' ' 341' ' ' PHE . 34.1 mt -124.12 112.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.133 -0.979 . . . . 0.42 109.689 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -73.62 149.38 42.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.29 -0.881 . . . . 2.35 109.279 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.52 131.95 7.3 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.593 -1.403 . . . . 0.41 109.593 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.8 ttt180 -73.95 -65.85 0.78 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -1.155 . . . . 2.59 109.607 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.35 -39.02 81.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 2.54 109.865 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.91 91.33 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.241 -0.912 . . . . 3.39 109.705 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.8 t80 -55.05 -55.7 28.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.387 -0.82 . . . . 0.47 109.71 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.71 -33.85 24.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.335 -0.853 . . . . 1.66 109.99 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -50.78 70.19 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.121 -0.987 . . . . 0.61 109.936 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' C' ' 332' ' ' ILE . 18.5 m-85 -60.88 -48.49 81.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 0.33 109.309 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.62 -38.19 53.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.444 -0.785 . . . . 3.28 109.589 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.75 -48.34 82.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.216 -0.928 . . . . 1.78 109.709 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' D' ' 344' ' ' LEU . 71.3 mt -61.93 -33.31 74.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.38 108.788 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.526 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.8 t-20 -59.81 -56.12 25.75 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.44 -0.788 . . . . 1.2 109.66 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.455 ' HB3' ' HE2' ' D' ' 351' ' ' LYS . 15.4 tt0 -63.58 -30.55 71.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 2.12 109.917 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.0 -55.35 33.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.287 -0.883 . . . . 0.26 109.971 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.75 -33.6 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.351 -0.843 . . . . 0.4 109.533 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -64.5 -40.06 94.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 2.09 109.713 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.685 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.3 tt -64.42 -49.61 70.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.338 -0.851 . . . . 0.75 109.681 -179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.31 86.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 2.19 108.865 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.63 -33.07 67.87 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-O 121.355 0.598 . . . . 1.34 109.538 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.36 88.58 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.72 109.128 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.499 ' OE1' HD11 ' D' ' 350' ' ' LEU . 23.7 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 1.8 109.323 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.318 0.58 . . . . 1.67 109.788 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.506 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 19.5 m-85 -94.92 154.87 17.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.21 -0.931 . . . . 0.61 108.958 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.6 m-85 -139.32 -172.88 3.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.56 109.925 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.8 p -152.92 160.11 43.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.43 109.208 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.1 tp -149.85 131.32 14.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.101 -1.0 . . . . 0.35 109.661 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.34 127.16 34.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.398 -0.814 . . . . 1.37 109.361 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' D' ' 341' ' ' PHE . 33.6 mt -124.05 112.58 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.182 -0.949 . . . . 0.48 109.817 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.27 42.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -0.886 . . . . 2.08 109.378 179.772 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.54 131.9 7.28 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.4 109.588 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttt180 -73.98 -65.7 0.81 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -1.069 . . . . 2.64 109.656 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.45 -39.05 82.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.873 . . . . 2.22 109.849 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.86 91.41 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.239 -0.913 . . . . 2.74 109.724 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.0 t80 -55.15 -55.64 28.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.43 109.74 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.74 -33.87 24.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 1.69 109.963 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.45 -50.62 70.75 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.217 -0.927 . . . . 0.43 109.926 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB2' HD13 ' D' ' 332' ' ' ILE . 18.2 m-85 -61.01 -48.62 80.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.27 109.146 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.49 -38.2 52.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 2.45 109.591 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.83 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 1.75 109.658 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' C' ' 344' ' ' LEU . 70.8 mt -61.9 -33.26 73.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.244 -0.91 . . . . 0.31 108.765 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.548 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.21 24.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.459 -0.775 . . . . 1.22 109.633 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -63.52 -30.59 71.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.352 -0.842 . . . . 1.73 109.895 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.98 -55.47 32.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.28 109.888 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.82 -33.37 72.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.31 109.626 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.49 -40.13 95.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.895 . . . . 1.91 109.753 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.614 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -64.47 -49.55 70.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.336 -0.852 . . . . 0.43 109.65 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' C' ' 346' ' ' GLU . 0.2 OUTLIER -60.26 -39.27 86.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.224 -0.922 . . . . 1.57 108.891 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.53 -33.03 67.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.79 -0.569 . . . . 1.44 109.584 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.35 88.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.322 -0.862 . . . . 0.64 109.139 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.685 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.2 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.391 -0.818 . . . . 1.21 109.307 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.442 -0.577 . . . . 1.7 109.442 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.7 155.25 17.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.117 -0.989 . . . . 0.61 109.582 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.3 -169.95 2.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.58 109.542 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 30.3 p -153.2 157.22 39.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.42 109.432 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -148.7 133.19 17.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.36 109.602 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 23.2 tt0 -85.83 127.86 34.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 1.37 109.121 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.85 114.32 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.47 109.797 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.479 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -74.13 149.51 40.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 2.1 109.358 179.64 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.79 133.61 7.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.751 -1.34 . . . . 0.42 109.751 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.9 ttt180 -78.58 -58.21 3.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 2.68 109.582 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.72 86.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 2.22 109.629 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 2.3 ttm180 -60.63 -41.4 94.8 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.285 -0.884 . . . . 2.77 109.558 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 59.0 t80 -55.57 -56.07 24.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.324 -0.86 . . . . 0.43 109.943 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.28 -37.13 45.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 1.66 110.173 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.42 -47.77 80.56 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.177 -0.952 . . . . 0.44 110.307 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.44 64.89 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.945 . . . . 0.29 109.415 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.78 -39.63 53.02 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.436 -0.79 . . . . 2.44 109.736 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.72 -43.26 94.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 1.74 109.999 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' B' ' 344' ' ' LEU . 75.0 mt -62.19 -43.46 98.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.3 109.531 -179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.13 -48.09 81.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 1.22 109.876 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.86 -34.34 75.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 1.72 109.844 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.46 -49.07 79.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.27 110.007 -179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 55.2 mt -61.47 -41.92 97.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.29 109.731 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.79 -38.52 78.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 1.91 109.495 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.79 -42.79 97.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.41 109.795 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.64 -40.06 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.387 -0.82 . . . . 1.56 109.198 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.15 -35.41 67.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.469 -0.769 . . . . 1.43 109.588 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -49.76 63.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.66 109.57 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.439 ' NE2' HD11 ' B' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 1.18 109.753 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.37 -0.604 . . . . 1.61 109.37 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -93.82 155.18 17.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.57 109.498 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -139.16 -169.9 2.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.53 109.533 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 30.1 p -153.18 157.03 39.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.929 . . . . 0.38 109.416 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.53 133.22 17.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.36 109.662 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.85 127.8 34.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.862 . . . . 1.36 109.135 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.2 mt -123.86 114.36 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.49 109.768 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.6 OUTLIER -74.14 149.3 41.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 2.1 109.418 179.664 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.9 133.33 7.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.776 -1.329 . . . . 0.44 109.776 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.9 ttt180 -78.15 -58.39 3.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.334 -1.097 . . . . 2.72 109.644 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.06 -42.66 85.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.965 . . . . 2.21 109.663 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.63 -41.43 94.86 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.334 -0.854 . . . . 2.79 109.565 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.6 t80 -55.58 -56.08 24.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.41 -0.806 . . . . 0.45 109.91 -179.824 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.38 -37.08 46.26 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.377 -0.827 . . . . 1.68 110.141 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.78 80.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.255 -0.903 . . . . 0.43 110.291 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.04 -52.55 64.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 0.28 109.342 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.75 -39.71 52.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.864 . . . . 2.52 109.625 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.63 -43.33 93.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.35 -0.844 . . . . 1.75 109.97 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' A' ' 344' ' ' LEU . 75.3 mt -62.09 -43.49 98.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.31 109.567 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.12 -48.16 81.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.921 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.87 -34.24 75.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 1.69 109.84 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.46 -49.06 79.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.27 109.977 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 55.6 mt -61.51 -41.88 97.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.3 109.665 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.92 -38.43 78.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.93 109.422 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.439 HD11 ' NE2' ' A' ' 354' ' ' GLN . 13.4 tp -63.82 -42.85 97.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.4 109.725 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.13 93.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.373 -0.829 . . . . 1.59 109.14 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.06 -35.42 66.93 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.585 -0.697 . . . . 1.43 109.723 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.63 63.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.65 109.598 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.19 109.821 -179.886 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.478 -0.564 . . . . 2.11 109.478 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -93.69 155.33 17.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.238 -0.914 . . . . 0.64 109.481 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.7 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.49 109.479 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 30.2 p -153.19 157.2 39.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.47 109.382 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.62 133.21 17.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.42 109.661 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 23.3 tt0 -85.82 127.76 34.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.198 -0.939 . . . . 1.81 109.236 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.82 114.24 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.42 109.804 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.6 OUTLIER -74.06 149.45 41.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.388 -0.82 . . . . 2.35 109.379 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.85 133.7 7.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.659 -1.376 . . . . 0.41 109.659 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.9 ttt180 -78.61 -58.26 3.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 2.59 109.593 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.67 86.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 2.54 109.661 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.52 -41.54 94.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.26 -0.9 . . . . 3.39 109.597 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 329' ' ' THR . 59.1 t80 -55.53 -56.02 25.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.445 -0.784 . . . . 0.47 109.952 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.41 -37.07 46.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.298 -0.876 . . . . 1.66 110.082 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -63.51 -47.7 80.62 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.112 -0.993 . . . . 0.61 110.274 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.02 -52.46 64.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.33 109.453 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.82 -39.6 53.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.317 -0.865 . . . . 3.28 109.702 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.76 -43.39 94.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.78 109.897 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' D' ' 344' ' ' LEU . 74.8 mt -62.11 -43.48 98.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.38 109.512 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.07 -48.18 80.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 1.2 109.91 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.88 -34.28 75.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 2.12 109.829 -179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.47 -48.95 79.66 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.26 110.044 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 55.7 mt -61.6 -41.85 98.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -0.857 . . . . 0.4 109.692 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.83 -38.42 78.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.27 -0.894 . . . . 2.09 109.533 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 13.4 tp -63.9 -42.85 97.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.21 -0.931 . . . . 0.75 109.699 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.03 93.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.858 . . . . 2.19 109.212 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.375 -0.828 . . . . 1.34 109.754 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.63 63.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 0.72 109.632 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.591 ' NE2' HD11 ' D' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.238 -0.914 . . . . 1.8 109.739 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.394 -0.595 . . . . 1.67 109.394 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -93.85 155.24 17.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.462 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.56 109.548 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 30.2 p -153.14 156.94 39.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 0.43 109.501 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.43 133.22 17.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.371 -0.831 . . . . 0.35 109.681 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.79 127.75 34.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 1.37 109.184 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.8 mt -123.69 114.38 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 0.48 109.844 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.6 OUTLIER -74.27 149.42 40.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.333 -0.855 . . . . 2.08 109.304 179.733 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.8 133.65 7.54 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.753 -1.339 . . . . 0.4 109.753 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.9 ttt180 -78.5 -58.27 3.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -1.159 . . . . 2.64 109.624 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.18 -42.58 86.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.862 . . . . 2.22 109.625 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.7 -41.52 95.36 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.291 -0.88 . . . . 2.74 109.522 -179.788 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.8 t80 -55.51 -56.05 24.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.409 -0.807 . . . . 0.43 109.977 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.31 -37.17 46.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.304 -0.873 . . . . 1.69 110.078 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.68 80.86 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.141 -0.975 . . . . 0.43 110.279 -179.258 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.47 64.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.944 . . . . 0.27 109.417 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -50.7 -39.72 52.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 2.45 109.707 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.74 -43.25 94.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 1.75 109.991 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' C' ' 344' ' ' LEU . 75.0 mt -62.14 -43.47 98.76 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.31 109.541 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -58.18 -48.07 81.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 1.22 109.948 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.81 -34.38 75.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.941 . . . . 1.73 109.821 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.47 -49.02 79.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 0.28 109.935 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.58 -41.9 98.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.31 109.611 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.75 -38.55 78.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 1.91 109.501 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.591 HD11 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -63.8 -42.76 97.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.315 -0.866 . . . . 0.43 109.722 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 11.9 ttmm -61.75 -39.96 93.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -0.829 . . . . 1.57 109.105 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.16 -35.55 67.3 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.52 -0.737 . . . . 1.44 109.587 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.63 63.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 0.64 109.687 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 1.21 109.73 -179.867 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.3 0.572 . . . . 1.7 109.561 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -95.37 161.22 14.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.287 -0.883 . . . . 0.61 109.457 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.04 -168.72 2.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 0.58 109.709 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.3 p -152.16 160.55 43.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.42 109.411 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.6 tp -148.72 129.87 14.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.36 109.438 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 41.9 tt0 -86.41 129.64 34.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.37 109.348 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 341' ' ' PHE . 49.3 mt -123.76 116.68 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.47 109.43 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 148.87 43.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.231 -0.918 . . . . 2.1 109.595 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 133.53 5.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.601 -1.399 . . . . 0.42 109.601 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 49.3 ttt180 -79.27 -52.34 8.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.309 -1.112 . . . . 2.68 109.496 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 2.22 109.672 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.762 HH12 HD22 ' C' ' 348' ' ' LEU . 8.7 tpp180 -62.46 -44.04 97.36 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.216 -0.928 . . . . 2.77 109.341 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.2 -48.86 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.362 -0.836 . . . . 0.43 109.51 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.25 42.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -0.852 . . . . 1.66 109.653 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.481 ' SD ' ' CG ' ' D' ' 340' ' ' MET . 14.3 ttp -61.86 -47.41 85.14 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.178 -0.951 . . . . 0.44 109.826 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.472 ' CD2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -61.41 -50.96 70.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 0.29 109.308 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.28 -36.53 42.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.414 -0.804 . . . . 2.44 109.716 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.2 -51.04 71.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.16 -0.962 . . . . 1.74 109.776 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' B' ' 344' ' ' LEU . 21.3 mt -61.06 -32.97 72.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.3 108.947 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.6 t-20 -60.4 -53.09 61.75 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.393 -0.817 . . . . 1.22 109.76 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.15 -36.85 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.377 -0.827 . . . . 1.72 110.157 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.79 -53.36 58.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.27 110.218 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.812 HD22 HH12 ' C' ' 337' ' ' ARG . 66.4 mt -60.77 -40.74 93.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.29 109.82 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.06 -35.42 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.288 -0.883 . . . . 1.91 109.83 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' B' ' 354' ' ' GLN . 13.1 tp -64.02 -45.95 86.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 0.41 109.677 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.53 -48.13 80.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 1.56 109.272 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -31.33 65.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.474 -0.766 . . . . 1.43 109.536 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.75 80.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 0.66 109.627 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.55 ' OE1' HD21 ' B' ' 350' ' ' LEU . 35.1 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.97 . . . . 1.18 109.614 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.271 0.558 . . . . 1.61 109.664 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.25 161.3 14.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.57 109.47 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.3 m-85 -140.11 -168.76 2.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.53 109.606 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.4 p -152.22 160.35 43.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.332 -0.855 . . . . 0.38 109.472 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.6 tp -148.54 129.86 14.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.36 109.518 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.39 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.829 . . . . 1.36 109.348 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' B' ' 341' ' ' PHE . 49.1 mt -123.82 116.7 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.49 109.44 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 148.93 42.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.873 . . . . 2.1 109.62 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.33 133.5 5.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.664 -1.374 . . . . 0.44 109.664 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 49.1 ttt180 -79.19 -52.5 8.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -1.141 . . . . 2.72 109.424 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.08 -44.06 91.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.319 -0.863 . . . . 2.21 109.739 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 8.7 tpp180 -62.41 -44.05 97.37 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.273 -0.892 . . . . 2.79 109.381 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.28 -48.79 73.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.373 -0.829 . . . . 0.45 109.527 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -51.39 -36.21 42.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 1.68 109.68 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -61.95 -47.34 85.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.43 109.86 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -61.32 -51.03 70.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.216 -0.927 . . . . 0.28 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.25 -36.63 42.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 2.52 109.664 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -60.13 -51.16 70.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.095 -1.003 . . . . 1.75 109.711 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 344' ' ' LEU . 21.2 mt -60.99 -32.84 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 0.31 108.99 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.415 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -60.57 -53.03 62.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.478 -0.764 . . . . 1.21 109.772 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.0 -36.99 85.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 1.69 110.178 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.73 -53.45 57.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.27 110.175 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.774 HD22 HH12 ' D' ' 337' ' ' ARG . 66.1 mt -60.75 -40.73 93.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.3 109.778 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -61.06 -35.51 77.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.206 -0.934 . . . . 1.93 109.772 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.55 HD21 ' OE1' ' A' ' 354' ' ' GLN . 13.1 tp -63.91 -46.02 86.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.264 -0.898 . . . . 0.4 109.68 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.52 -48.21 80.56 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 1.59 109.231 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -31.19 65.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.605 -0.684 . . . . 1.43 109.541 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.71 80.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.65 109.686 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.443 ' OE1' HD21 ' A' ' 350' ' ' LEU . 35.0 mt-30 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.249 -0.907 . . . . 1.19 109.643 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.308 0.575 . . . . 2.11 109.617 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -95.33 161.31 14.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.322 -0.861 . . . . 0.64 109.339 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.9 m-85 -140.13 -168.74 2.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 0.49 109.618 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 9.2 p -152.23 160.6 43.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.47 109.363 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.5 tp -148.71 129.83 14.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.42 129.57 34.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.81 109.383 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' C' ' 341' ' ' PHE . 49.7 mt -123.72 116.73 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.226 -0.921 . . . . 0.42 109.337 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 148.89 43.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 2.35 109.557 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.44 133.49 5.87 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.601 -1.4 . . . . 0.41 109.601 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 49.2 ttt180 -79.22 -52.4 8.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -1.146 . . . . 2.59 109.494 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.06 -44.13 91.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.405 -0.81 . . . . 2.54 109.64 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.812 HH12 HD22 ' A' ' 348' ' ' LEU . 8.8 tpp180 -62.36 -44.11 97.23 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.855 . . . . 3.39 109.317 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.7 t80 -55.16 -48.89 73.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -0.829 . . . . 0.47 109.516 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.53 -36.01 43.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.413 -0.804 . . . . 1.66 109.697 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.07 -47.28 85.38 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.206 -0.934 . . . . 0.61 109.79 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.43 -51.01 70.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.168 -0.957 . . . . 0.33 109.249 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.19 -36.62 42.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.306 -0.871 . . . . 3.28 109.766 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.19 -51.07 71.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 1.78 109.73 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' D' ' 344' ' ' LEU . 21.5 mt -61.11 -32.83 72.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.38 108.898 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -60.62 -52.92 63.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.435 -0.791 . . . . 1.2 109.722 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.21 -36.86 85.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.826 . . . . 2.12 110.176 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.82 -53.42 58.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.26 110.139 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.762 HD22 HH12 ' A' ' 337' ' ' ARG . 66.4 mt -60.69 -40.8 93.53 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.208 -0.932 . . . . 0.4 109.748 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.04 -35.44 76.89 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.251 -0.906 . . . . 2.09 109.905 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.52 HD21 ' OE1' ' D' ' 354' ' ' GLN . 13.1 tp -63.97 -45.97 86.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.173 -0.954 . . . . 0.75 109.735 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 18.1 ttmm -62.46 -48.28 80.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 2.19 109.156 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -31.21 65.08 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.515 -0.741 . . . . 1.34 109.478 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.67 80.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.72 109.636 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' D' ' 350' ' ' LEU . 35.0 mt-30 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.16 -0.962 . . . . 1.8 109.643 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.236 0.541 . . . . 1.67 109.587 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.3 161.27 14.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.89 . . . . 0.61 109.381 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.7 m-85 -140.06 -168.66 2.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.221 -0.924 . . . . 0.56 109.662 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 9.6 p -152.33 160.45 43.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.43 109.468 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.7 tp -148.55 129.88 14.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.35 109.41 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.34 129.66 34.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.905 . . . . 1.37 109.282 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' D' ' 341' ' ' PHE . 48.5 mt -123.78 116.62 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 0.48 109.475 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 148.91 43.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.08 109.567 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.34 133.55 5.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.731 -1.348 . . . . 0.4 109.731 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 49.1 ttt180 -79.26 -52.44 8.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -1.108 . . . . 2.64 109.417 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.03 -44.14 91.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 2.22 109.708 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.774 HH12 HD22 ' B' ' 348' ' ' LEU . 8.7 tpp180 -62.36 -44.16 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 2.74 109.324 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.3 t80 -55.23 -48.73 73.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.43 109.597 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.19 42.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 1.69 109.701 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.481 ' CG ' ' SD ' ' A' ' 340' ' ' MET . 14.3 ttp -62.06 -47.29 85.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.223 -0.923 . . . . 0.43 109.867 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.34 -50.96 70.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.847 . . . . 0.27 109.377 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.24 -36.66 42.95 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.367 -0.833 . . . . 2.45 109.664 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.23 -50.99 71.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 1.75 109.715 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' C' ' 344' ' ' LEU . 21.3 mt -61.15 -32.79 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.221 -0.924 . . . . 0.31 108.968 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.7 t-20 -60.49 -53.12 61.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.41 -0.806 . . . . 1.22 109.765 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 38.1 mt-10 -63.04 -36.96 85.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 1.73 110.109 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.8 -53.43 58.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.008 . . . . 0.28 110.112 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 66.8 mt -60.78 -40.73 93.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 0.31 109.692 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.14 -35.39 76.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 1.91 109.821 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.474 HD21 ' OE1' ' C' ' 354' ' ' GLN . 13.1 tp -63.97 -45.95 86.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.184 -0.947 . . . . 0.43 109.725 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.62 -48.19 80.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 1.57 109.14 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -31.27 65.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.546 -0.721 . . . . 1.44 109.501 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -35.67 80.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.32 -0.863 . . . . 0.64 109.674 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.52 ' OE1' HD21 ' C' ' 350' ' ' LEU . 35.0 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.184 -0.947 . . . . 1.21 109.586 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.289 -0.634 . . . . 1.7 109.289 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -92.59 153.43 19.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.574 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.7 m-85 -137.76 -163.39 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.58 109.262 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 328' ' ' PHE . 20.0 p -154.98 156.61 36.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.42 109.672 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.9 tp -147.36 129.76 15.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.304 -0.872 . . . . 0.36 109.299 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -86.43 134.78 33.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.37 109.753 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.64 115.47 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.47 109.332 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 147.34 43.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 2.1 109.76 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 91.88 136.88 7.41 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.737 -1.345 . . . . 0.42 109.737 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.7 ttm180 -73.59 -53.14 11.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -1.104 . . . . 2.68 109.389 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.93 -42.13 84.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 2.22 109.172 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.36 -46.97 82.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.409 -0.807 . . . . 2.77 109.755 -179.841 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.601 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.7 t80 -55.41 -55.79 27.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.46 -0.775 . . . . 0.43 109.747 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -50.85 -36.51 38.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 1.66 110.002 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.4 -51.79 64.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.181 -0.949 . . . . 0.44 110.393 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.4 m-85 -60.76 -53.4 57.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.109 -0.994 . . . . 0.29 109.436 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.466 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.3 OUTLIER -50.16 -34.77 23.58 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.422 -0.799 . . . . 2.44 109.835 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -50.89 71.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.946 -1.096 . . . . 1.74 109.758 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' B' ' 344' ' ' LEU . 62.8 mt -61.64 -33.6 74.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.231 -0.918 . . . . 0.3 109.039 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.571 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.8 t-20 -60.49 -54.59 43.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.388 -0.82 . . . . 1.22 109.908 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -63.82 -33.32 75.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.344 -0.847 . . . . 1.72 110.089 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -54.11 49.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.27 109.838 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.21 -41.6 97.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.29 109.423 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.6 -33.01 72.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 1.91 109.383 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.517 HD11 ' OE1' ' B' ' 354' ' ' GLN . 14.0 tp -64.7 -46.11 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.41 109.45 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.476 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 6.3 ttmm -61.55 -44.28 97.33 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.34 -0.85 . . . . 1.56 108.956 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.95 -32.5 66.08 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 1.43 109.561 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -47.6 71.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.323 -0.861 . . . . 0.66 109.507 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.371 -0.83 . . . . 1.18 109.576 179.949 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.309 -0.626 . . . . 1.61 109.309 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.21 153.52 19.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.57 109.635 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.0 m-85 -137.78 -163.35 1.43 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.249 -0.907 . . . . 0.53 109.231 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.442 HG23 ' O ' ' B' ' 328' ' ' PHE . 20.3 p -154.91 156.58 36.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.97 . . . . 0.38 109.73 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.8 tp -147.33 129.74 15.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.882 . . . . 0.36 109.312 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -86.27 134.84 33.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 1.36 109.802 -179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.696 HD13 ' HB2' ' B' ' 341' ' ' PHE . 30.0 mt -123.71 115.57 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.49 109.346 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 147.34 43.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.774 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 91.95 136.79 7.4 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.769 -1.333 . . . . 0.44 109.769 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttm180 -73.63 -53.01 11.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 2.72 109.407 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -42.0 84.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 2.21 109.108 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.46 -46.94 83.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.519 -0.738 . . . . 2.79 109.832 -179.785 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.597 ' HD1' HD12 ' B' ' 332' ' ' ILE . 40.5 t80 -55.37 -55.76 27.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.356 -0.84 . . . . 0.45 109.828 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.73 -36.54 36.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 1.68 110.095 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.52 -51.71 64.33 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.43 110.386 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.696 ' HB2' HD13 ' B' ' 332' ' ' ILE . 26.3 m-85 -60.82 -53.32 58.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.074 -1.016 . . . . 0.28 109.408 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.457 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.3 OUTLIER -50.22 -34.8 24.14 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.493 -0.754 . . . . 2.52 109.841 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.95 70.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.089 -1.007 . . . . 1.75 109.73 -179.647 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 344' ' ' LEU . 62.5 mt -61.47 -33.75 74.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.903 . . . . 0.31 109.024 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.9 t-20 -60.4 -54.56 44.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.443 -0.786 . . . . 1.21 110.001 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.476 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 34.1 mm-40 -63.89 -33.42 75.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 1.69 110.081 -179.423 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.0 -53.99 50.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.27 109.852 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.403 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 16.2 mt -61.2 -41.74 97.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.329 -0.857 . . . . 0.3 109.388 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.41 -33.05 71.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.201 -0.937 . . . . 1.93 109.452 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.513 HD23 HD23 ' A' ' 350' ' ' LEU . 14.0 tp -64.8 -46.08 83.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.4 109.391 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.4 -44.39 97.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.376 -0.827 . . . . 1.59 108.97 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.52 65.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.68 -0.638 . . . . 1.43 109.578 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.63 71.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.406 -0.809 . . . . 0.65 109.499 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.517 ' OE1' HD11 ' A' ' 350' ' ' LEU . 49.6 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 1.19 109.608 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.313 -0.625 . . . . 2.11 109.313 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -92.54 153.5 19.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.64 109.549 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.0 m-85 -137.77 -163.38 1.43 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.49 109.247 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.459 HG23 ' O ' ' C' ' 328' ' ' PHE . 20.4 p -154.93 156.65 36.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.47 109.66 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.0 tp -147.38 129.87 15.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.42 109.253 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -86.44 134.77 33.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 1.81 109.746 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.63 115.6 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.314 -0.866 . . . . 0.42 109.34 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.86 147.25 43.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 2.35 109.717 -179.807 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 91.89 136.85 7.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.824 -1.31 . . . . 0.41 109.824 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 21.8 ttm180 -73.59 -53.07 11.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.196 . . . . 2.59 109.374 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.02 -41.99 84.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.54 109.182 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.482 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.45 -46.99 82.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 3.39 109.738 -179.802 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.615 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.5 t80 -55.34 -55.78 27.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.47 109.751 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.88 -36.52 38.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 1.66 109.974 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.33 -51.82 64.41 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.091 -1.006 . . . . 0.61 110.38 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.5 m-85 -60.84 -53.28 59.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.103 -0.998 . . . . 0.33 109.385 -179.569 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.451 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.31 -34.72 24.6 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.4 -0.813 . . . . 3.28 109.88 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -50.96 70.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.027 -1.046 . . . . 1.78 109.78 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' D' ' 344' ' ' LEU . 62.4 mt -61.49 -33.71 74.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.248 -0.908 . . . . 0.38 109.097 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.559 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.8 t-20 -60.41 -54.62 43.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.455 -0.778 . . . . 1.2 109.941 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.444 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 34.0 mm-40 -63.79 -33.41 75.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 2.12 110.07 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -54.06 49.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.26 109.745 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.07 -41.76 97.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.311 -0.868 . . . . 0.4 109.511 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.53 -32.95 71.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.89 . . . . 2.09 109.457 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.5 HD23 HD23 ' D' ' 350' ' ' LEU . 14.0 tp -64.78 -46.03 83.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.75 109.457 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.58 -44.2 97.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.416 -0.802 . . . . 2.19 108.947 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.97 -32.59 66.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.539 -0.726 . . . . 1.34 109.512 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -47.82 71.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.72 109.489 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.433 ' OE1' HD11 ' D' ' 350' ' ' LEU . 49.3 mt-30 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 1.8 109.622 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.286 -0.635 . . . . 1.67 109.286 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -92.43 153.49 19.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 0.61 109.57 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.9 m-85 -137.82 -163.31 1.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.56 109.305 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.458 HG23 ' O ' ' D' ' 328' ' ' PHE . 20.2 p -154.9 156.81 36.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.43 109.615 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.0 tp -147.56 129.73 15.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.35 109.318 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -86.35 134.96 33.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -0.872 . . . . 1.37 109.73 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' D' ' 341' ' ' PHE . 30.7 mt -123.85 115.65 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.48 109.29 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.76 147.38 43.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 2.08 109.746 -179.814 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 91.79 136.93 7.39 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.752 -1.339 . . . . 0.4 109.752 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 21.6 ttm180 -73.55 -53.17 11.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -1.149 . . . . 2.64 109.374 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -41.92 84.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 2.22 109.248 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.42 -46.96 82.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.469 -0.77 . . . . 2.74 109.732 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.617 ' HD1' HD12 ' D' ' 332' ' ' ILE . 40.7 t80 -55.46 -55.69 28.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.513 -0.742 . . . . 0.43 109.825 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.77 -36.59 37.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 1.69 110.068 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.43 -51.65 64.82 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.12 -0.987 . . . . 0.43 110.369 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.698 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.5 m-85 -60.86 -53.35 58.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.27 109.412 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.15 -34.86 23.71 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.429 -0.795 . . . . 2.45 109.841 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.97 70.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.039 . . . . 1.75 109.672 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' C' ' 344' ' ' LEU . 62.9 mt -61.49 -33.7 74.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.215 -0.928 . . . . 0.31 109.038 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.558 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.8 t-20 -60.54 -54.54 44.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.466 -0.771 . . . . 1.22 109.898 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.88 -33.3 75.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.73 110.049 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.18 48.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.28 109.757 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.1 -41.59 96.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.378 -0.826 . . . . 0.31 109.473 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.7 -32.91 72.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.91 109.445 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.5 HD23 HD23 ' C' ' 350' ' ' LEU . 14.0 tp -64.8 -46.12 83.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.883 . . . . 0.43 109.376 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 6.3 ttmm -61.48 -44.33 97.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.449 -0.782 . . . . 1.57 108.943 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.583 -0.698 . . . . 1.44 109.528 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.336 -0.852 . . . . 0.64 109.43 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.233 -0.917 . . . . 1.21 109.587 -179.971 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.443 -0.577 . . . . 1.7 109.443 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.78 158.64 15.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.61 109.584 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 77.6 m-85 -138.65 -167.0 2.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.58 109.641 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 1.6 p -153.57 157.75 40.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.168 -0.957 . . . . 0.42 109.564 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.9 tp -149.26 131.62 15.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 0.36 109.485 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.8 tt0 -86.58 131.49 34.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 1.37 109.4 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.6 mt -123.92 119.29 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 0.47 109.57 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.43 148.82 42.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.314 -0.866 . . . . 2.1 109.498 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.41 136.01 6.34 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -80.76 -51.5 8.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -1.156 . . . . 2.68 109.496 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.26 -47.7 82.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 2.22 109.438 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.7 -42.58 97.47 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.29 -0.881 . . . . 2.77 109.558 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.7 t80 -54.49 -57.24 12.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.433 -0.792 . . . . 0.43 109.544 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.49 -34.6 36.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 1.66 109.631 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.59 -49.28 73.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.197 -0.939 . . . . 0.44 110.098 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -60.99 -52.56 64.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.163 -0.96 . . . . 0.29 109.258 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.48 -39.86 49.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.44 109.704 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.43 -43.84 98.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.942 . . . . 1.74 110.014 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 344' ' ' LEU . 38.0 mt -61.64 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 0.3 109.397 -179.749 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.81 -49.62 76.03 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.374 -0.829 . . . . 1.22 109.685 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.477 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.72 110.01 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.84 -53.59 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.106 -0.996 . . . . 0.27 109.986 -179.53 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.478 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 30.0 mt -60.89 -42.66 98.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 0.29 109.635 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.2 -34.26 73.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 1.91 109.614 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.51 -45.97 84.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.41 109.409 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.06 -43.99 97.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.542 -0.724 . . . . 1.56 109.188 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -37.63 73.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.514 -0.741 . . . . 1.43 109.741 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.05 67.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.66 109.522 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.18 109.384 -179.893 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.451 -0.574 . . . . 1.61 109.451 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -93.66 158.64 15.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.57 109.633 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.1 m-85 -138.61 -167.01 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.917 . . . . 0.53 109.546 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.6 p -153.59 157.7 40.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -0.989 . . . . 0.38 109.543 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.0 tp -149.27 131.61 15.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 0.36 109.399 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.7 tt0 -86.68 131.56 34.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 1.36 109.385 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.54 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.5 mt -123.85 119.3 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.49 109.575 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.47 148.61 43.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.243 -0.911 . . . . 2.1 109.53 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.67 136.02 6.47 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.67 -1.372 . . . . 0.44 109.67 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.58 8.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -1.082 . . . . 2.72 109.538 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -47.78 82.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 2.21 109.458 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.61 -42.67 97.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.317 -0.865 . . . . 2.79 109.541 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.54 ' HD1' HD12 ' B' ' 332' ' ' ILE . 44.8 t80 -54.53 -57.2 12.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.429 -0.794 . . . . 0.45 109.517 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -51.35 -34.65 34.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.68 109.742 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.57 -49.35 73.74 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.252 -0.905 . . . . 0.43 110.092 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -60.92 -52.6 64.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.28 109.244 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.54 -39.95 50.52 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.359 -0.838 . . . . 2.52 109.539 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.33 -43.91 98.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.127 -0.983 . . . . 1.75 109.981 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' A' ' 344' ' ' LEU . 38.7 mt -61.57 -43.34 99.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.31 109.456 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.9 -49.56 76.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.367 -0.833 . . . . 1.21 109.655 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.345 -0.847 . . . . 1.69 110.029 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.8 -53.58 55.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.27 110.049 -179.568 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.96 -42.72 98.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.3 109.579 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.1 -34.22 73.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 1.93 109.651 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.0 tt -64.62 -45.91 84.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.85 . . . . 0.4 109.487 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.9 97.86 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.434 -0.791 . . . . 1.59 109.189 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -37.66 73.24 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.452 -0.78 . . . . 1.43 109.688 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.06 67.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.65 109.495 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.19 109.468 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.519 -0.548 . . . . 2.11 109.519 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -93.7 158.69 15.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.64 109.506 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.3 m-85 -138.67 -167.02 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.908 . . . . 0.49 109.586 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 1.6 p -153.66 157.63 39.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.228 -0.92 . . . . 0.47 109.487 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -149.16 131.65 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.42 109.474 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.52 131.5 34.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.928 . . . . 1.81 109.365 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.533 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.7 mt -123.95 119.34 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.935 . . . . 0.42 109.583 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 148.69 42.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.151 -0.968 . . . . 2.35 109.487 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.53 136.09 6.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.76 -1.336 . . . . 0.41 109.76 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -80.7 -51.69 8.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.294 -1.121 . . . . 2.59 109.539 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.13 -47.66 82.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.291 -0.88 . . . . 2.54 109.509 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.478 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttm180 -60.78 -42.55 97.75 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.313 -0.867 . . . . 3.39 109.602 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' C' ' 332' ' ' ILE . 44.4 t80 -54.68 -57.15 12.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.355 -0.84 . . . . 0.47 109.465 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.39 -34.6 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -0.909 . . . . 1.66 109.695 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.63 -49.25 74.0 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.351 -0.843 . . . . 0.61 110.095 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.4 m-85 -61.01 -52.61 64.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.33 109.226 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.39 -39.97 48.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -0.764 . . . . 3.28 109.667 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.47 -43.7 98.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.78 110.033 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' D' ' 344' ' ' LEU . 38.1 mt -61.68 -43.36 99.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.38 109.407 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.87 -49.58 76.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 1.2 109.674 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.8 -31.98 73.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 2.12 110.068 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -53.67 54.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.151 -0.968 . . . . 0.26 110.007 -179.555 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.82 -42.79 98.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.4 109.559 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.18 -34.24 73.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 2.09 109.612 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.707 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.0 tt -64.6 -45.94 84.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.915 . . . . 0.75 109.43 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.99 97.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.533 -0.729 . . . . 2.19 109.179 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -37.57 73.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.548 -0.72 . . . . 1.34 109.734 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -26.96 66.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.72 109.55 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.194 -0.942 . . . . 1.8 109.589 179.957 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.46 -0.571 . . . . 1.67 109.46 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.64 158.69 15.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.174 -0.954 . . . . 0.61 109.569 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.2 m-85 -138.64 -167.03 2.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.56 109.653 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.6 p -153.57 157.71 40.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.935 . . . . 0.43 109.58 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.9 tp -149.21 131.6 15.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.35 109.435 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.7 tt0 -86.61 131.5 34.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.915 . . . . 1.37 109.409 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.532 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.7 mt -123.89 119.35 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -0.928 . . . . 0.48 109.552 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.46 148.67 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.08 109.579 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.56 136.05 6.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.762 -1.335 . . . . 0.4 109.762 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.67 8.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -1.182 . . . . 2.64 109.494 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.18 -47.66 82.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 2.22 109.457 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.76 -42.53 97.64 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.376 -0.828 . . . . 2.74 109.572 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.532 ' HD1' HD12 ' D' ' 332' ' ' ILE . 44.5 t80 -54.59 -57.18 12.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.43 109.495 -179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.37 -34.63 35.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 1.69 109.781 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.63 -49.35 73.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.19 -0.944 . . . . 0.43 110.079 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.6 m-85 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.222 -0.924 . . . . 0.27 109.189 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.36 -40.06 48.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.404 -0.81 . . . . 2.45 109.638 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.35 -43.88 98.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.75 110.023 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' C' ' 344' ' ' LEU . 38.5 mt -61.56 -43.35 99.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.31 109.501 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.92 -49.47 76.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 1.22 109.648 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -32.05 73.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.297 -0.877 . . . . 1.73 109.972 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.7 -53.71 54.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.28 110.006 -179.51 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.88 -42.62 98.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.31 109.61 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.33 -34.1 73.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 1.91 109.562 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.0 tt -64.7 -45.84 84.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.43 109.415 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.18 -43.86 97.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.461 -0.774 . . . . 1.57 109.163 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -37.66 73.36 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.596 -0.69 . . . . 1.44 109.581 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.12 67.11 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.64 109.495 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.239 -0.913 . . . . 1.21 109.595 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.28 0.562 . . . . 1.7 109.552 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.0 m-85 -93.33 156.86 16.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.94 . . . . 0.61 109.394 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.7 m-85 -139.47 -169.84 2.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.58 109.584 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 73.7 p -153.55 158.56 41.42 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.877 . . . . 0.42 109.442 -179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' C' ' 329' ' ' THR . 18.7 tp -149.52 133.91 17.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 0.36 109.601 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.92 126.58 34.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.883 . . . . 1.37 109.224 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.1 mt -123.71 111.05 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.141 -0.974 . . . . 0.47 109.62 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.3 40.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.29 -0.881 . . . . 2.1 109.456 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.21 130.0 6.63 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.97 1.33 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -1.096 . . . . 2.68 109.504 179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.64 87.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.384 -0.823 . . . . 2.22 109.669 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 3.3 ttt180 -60.53 -43.52 97.08 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.257 -0.902 . . . . 2.77 109.667 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 36.1 t80 -55.07 -56.31 21.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.43 109.633 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -51.15 -33.05 25.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 1.66 109.868 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.15 -50.04 71.96 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.178 -0.951 . . . . 0.44 110.04 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.4 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.8 m-85 -61.23 -47.6 85.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.938 . . . . 0.29 109.171 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.06 -42.24 62.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.381 -0.824 . . . . 2.44 109.854 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.57 -40.96 93.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 1.74 110.025 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 344' ' ' LEU . 85.6 mt -62.36 -46.0 90.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.908 . . . . 0.3 109.484 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -58.19 -47.13 84.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.894 . . . . 1.22 109.831 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -33.98 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.305 -0.872 . . . . 1.72 109.935 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.35 -51.89 67.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.27 110.076 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.32 -41.83 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.846 . . . . 0.29 109.72 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.67 -37.29 78.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 1.91 109.783 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.9 tp -64.31 -45.25 88.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.41 109.659 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.54 -36.57 80.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.56 108.951 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -56.52 -36.36 69.12 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.409 -0.807 . . . . 1.43 109.465 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.09 87.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.386 -0.821 . . . . 0.66 109.475 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 1.18 109.588 179.942 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.476 -0.565 . . . . 1.61 109.476 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.0 m-85 -93.43 156.76 16.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 0.57 109.367 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.53 109.525 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.9 p -153.41 158.43 41.43 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.38 109.536 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.0 tp -149.41 134.01 17.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.36 109.532 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.88 126.52 34.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.36 109.166 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' B' ' 341' ' ' PHE . 49.9 mt -123.67 110.95 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.119 -0.988 . . . . 0.49 109.71 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.35 152.19 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.226 -0.922 . . . . 2.1 109.452 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.29 130.03 6.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.807 -1.317 . . . . 0.44 109.807 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.98 1.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -1.132 . . . . 2.72 109.504 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.73 87.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.456 -0.778 . . . . 2.21 109.694 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.43 -43.62 96.6 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.261 -0.899 . . . . 2.79 109.69 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 35.8 t80 -55.09 -56.14 23.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.45 109.734 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.33 -32.9 26.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.333 -0.855 . . . . 1.68 109.904 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.26 -49.95 72.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.161 -0.962 . . . . 0.43 110.096 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.401 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.0 m-85 -61.18 -47.68 85.06 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.097 -1.002 . . . . 0.28 109.213 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.03 -42.18 62.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 2.52 109.891 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -60.58 -41.04 93.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.096 -1.002 . . . . 1.75 109.959 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -46.01 90.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.31 109.588 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -58.17 -47.23 84.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.872 . . . . 1.21 109.803 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -34.04 75.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.834 . . . . 1.69 110.031 -179.663 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.29 -51.93 67.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.27 110.129 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.14 -42.02 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.854 . . . . 0.3 109.719 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.58 -37.28 78.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.93 109.758 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 15.8 tp -64.3 -45.31 88.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.4 109.62 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.43 -36.71 81.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.59 108.866 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.43 -36.33 68.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.523 -0.735 . . . . 1.43 109.503 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.19 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.65 109.407 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.19 109.573 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.282 0.563 . . . . 2.11 109.587 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.35 156.82 16.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.64 109.401 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -139.42 -169.92 2.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.199 -0.938 . . . . 0.49 109.488 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 74.7 p -153.51 158.49 41.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.219 -0.926 . . . . 0.47 109.549 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.0 tp -149.59 133.93 17.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.347 -0.845 . . . . 0.42 109.497 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.75 126.54 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 1.81 109.241 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.68 111.08 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.143 -0.973 . . . . 0.42 109.679 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.17 40.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.323 -0.861 . . . . 2.35 109.453 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.37 130.02 6.66 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.754 -1.338 . . . . 0.41 109.754 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 16.2 ttm180 -74.3 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.347 -1.09 . . . . 2.59 109.428 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -41.62 87.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.406 -0.809 . . . . 2.54 109.736 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.58 -43.59 97.18 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.281 -0.887 . . . . 3.39 109.649 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -55.15 -56.17 22.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.47 109.644 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -51.34 -32.87 27.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 1.66 109.87 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.24 -50.01 71.89 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.205 -0.934 . . . . 0.61 110.069 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.17 -47.67 85.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.33 109.157 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.08 -42.22 63.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.395 -0.815 . . . . 3.28 109.811 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.53 -41.02 93.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 1.78 110.042 -179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 344' ' ' LEU . 85.7 mt -62.36 -45.91 91.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.38 109.56 -179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -58.23 -47.13 84.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.2 109.742 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -33.96 75.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.865 . . . . 2.12 109.914 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -52.04 66.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.933 . . . . 0.26 110.04 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.439 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 35.7 mt -61.11 -42.07 97.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.4 109.704 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.5 -37.31 77.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 2.09 109.808 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 15.8 tp -64.2 -45.43 88.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.75 109.612 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -61.42 -36.63 80.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 2.19 108.92 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.41 -36.37 68.84 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.585 -0.697 . . . . 1.34 109.481 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.28 87.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.72 109.451 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.328 -0.858 . . . . 1.8 109.556 -179.942 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.581 -0.526 . . . . 1.67 109.581 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.31 156.75 16.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.61 109.497 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.95 2.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.56 109.618 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.5 p -153.45 158.5 41.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.43 109.51 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.1 tp -149.49 134.0 17.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.35 109.547 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.87 126.51 34.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 1.37 109.187 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -123.7 111.04 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.48 109.66 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.46 152.08 40.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.938 . . . . 2.08 109.41 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.38 130.11 6.69 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.709 -1.357 . . . . 0.4 109.709 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 16.2 ttm180 -74.39 -62.84 1.38 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -1.145 . . . . 2.64 109.468 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -41.66 87.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 2.22 109.75 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.49 -43.5 96.92 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.126 -0.984 . . . . 2.74 109.77 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 36.0 t80 -55.07 -56.16 22.91 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.295 -0.878 . . . . 0.43 109.737 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.41 -32.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.69 109.896 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.3 -50.05 71.59 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.163 -0.96 . . . . 0.43 109.992 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.06 -47.68 85.23 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.251 -0.905 . . . . 0.27 109.266 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.1 -42.17 63.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 2.45 109.885 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -60.6 -40.97 93.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.154 -0.967 . . . . 1.75 109.961 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.42 -45.85 91.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.31 109.588 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.25 -47.09 84.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.22 109.802 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -33.95 75.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.875 . . . . 1.73 110.003 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.25 -52.04 66.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.276 -0.89 . . . . 0.28 110.131 -179.722 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.13 -42.05 97.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.31 109.681 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.58 -37.23 77.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.91 109.807 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.54 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 15.9 tp -64.24 -45.44 88.14 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.43 109.63 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.35 -36.69 80.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.878 . . . . 1.57 108.963 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -56.41 -36.29 68.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.578 -0.701 . . . . 1.44 109.521 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.19 87.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.64 109.481 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 1.21 109.632 179.948 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.341 -0.614 . . . . 1.7 109.341 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.5 m-85 -93.06 153.68 18.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.134 -0.979 . . . . 0.61 109.596 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.4 m-85 -139.32 -172.03 3.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.58 109.597 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -153.15 160.16 42.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 0.42 109.388 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.95 131.34 16.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.905 . . . . 0.36 109.52 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.23 132.3 34.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 1.37 109.383 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' HD1' ' A' ' 338' ' ' PHE . 65.6 mt -123.51 109.23 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.47 109.479 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -73.64 116.88 14.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 2.1 109.194 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.54 4.21 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.476 -1.45 . . . . 0.42 109.476 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.2 ttp180 -81.01 -57.0 3.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -1.121 . . . . 2.68 109.634 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.45 -46.38 86.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -0.907 . . . . 2.22 109.672 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.488 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.4 ttm180 -60.78 -41.58 95.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.253 -0.904 . . . . 2.77 109.506 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.525 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.5 t80 -55.12 -55.66 28.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.43 109.579 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.86 -37.98 54.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 1.66 110.027 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.74 -46.53 87.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.236 -0.915 . . . . 0.44 110.154 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.49 -51.12 69.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.29 109.274 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.81 59.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.374 -0.829 . . . . 2.44 109.761 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.84 -41.13 90.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.221 -0.925 . . . . 1.74 109.857 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' B' ' 344' ' ' LEU . 69.7 mt -62.52 -44.89 95.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.3 109.525 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.56 -47.5 84.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 1.22 109.977 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.88 -37.05 83.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 1.72 109.968 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.53 -51.99 67.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.922 . . . . 0.27 110.028 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 29.5 mt -61.38 -41.5 97.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.312 -0.868 . . . . 0.29 109.647 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.78 -35.88 75.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.91 109.56 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 350' ' ' LEU . 10.6 tp -64.01 -45.36 89.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.87 . . . . 0.41 109.59 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.68 -43.27 99.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.56 109.169 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.7 -31.19 64.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.636 -0.665 . . . . 1.43 109.799 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.21 72.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.381 -0.824 . . . . 0.66 109.598 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 1.18 109.563 -179.957 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.393 -0.595 . . . . 1.61 109.393 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.6 m-85 -93.05 153.7 18.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.57 109.594 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.5 m-85 -139.3 -171.91 3.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.53 109.504 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 67.8 p -153.2 160.04 42.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.38 109.376 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.83 131.33 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -0.895 . . . . 0.36 109.611 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.13 132.2 34.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 1.36 109.455 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.521 HD12 ' HD1' ' B' ' 338' ' ' PHE . 65.5 mt -123.49 109.15 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.49 109.484 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.505 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -73.53 116.91 14.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 2.1 109.279 179.841 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.38 136.64 4.23 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.447 -1.461 . . . . 0.44 109.447 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.2 ttp180 -81.13 -56.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.301 -1.117 . . . . 2.72 109.731 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.56 -46.62 86.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.32 -0.862 . . . . 2.21 109.596 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.49 -41.71 94.83 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.164 -0.96 . . . . 2.79 109.572 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' B' ' 332' ' ' ILE . 43.8 t80 -55.11 -55.56 29.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.45 109.661 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.9 -37.96 54.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 1.68 110.038 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.78 -46.54 87.54 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.166 -0.959 . . . . 0.43 110.185 -179.317 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.41 -51.1 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.28 109.348 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.63 59.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 2.52 109.696 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.83 -41.23 90.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.1 -1.0 . . . . 1.75 109.852 -179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 344' ' ' LEU . 70.3 mt -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.231 -0.918 . . . . 0.31 109.574 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.55 -47.56 83.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.21 109.932 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.95 -36.98 83.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.29 -0.881 . . . . 1.69 109.958 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.57 -51.98 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.272 -0.892 . . . . 0.27 109.962 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.36 -41.53 97.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.3 109.687 -179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.81 -35.86 75.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.291 -0.881 . . . . 1.93 109.537 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 350' ' ' LEU . 10.6 tp -64.04 -45.28 89.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.4 109.643 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.79 -43.23 99.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.431 -0.793 . . . . 1.59 109.059 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.78 -31.3 64.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.591 -0.693 . . . . 1.43 109.602 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -48.14 72.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.65 109.618 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.285 -0.884 . . . . 1.19 109.586 179.967 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.328 -0.619 . . . . 2.11 109.328 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.5 m-85 -93.11 153.78 18.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.959 . . . . 0.64 109.577 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 79.0 m-85 -139.35 -171.95 3.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.49 109.507 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 66.9 p -153.17 160.17 42.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.174 -0.954 . . . . 0.47 109.401 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.88 131.27 16.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.42 109.551 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -86.13 132.28 34.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.328 -0.857 . . . . 1.81 109.391 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' C' ' 338' ' ' PHE . 65.5 mt -123.46 109.22 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.42 109.516 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -73.68 117.05 15.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 2.35 109.24 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.27 136.55 4.23 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.402 -1.479 . . . . 0.41 109.402 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.2 ttp180 -81.06 -56.94 3.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -1.135 . . . . 2.59 109.629 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -46.49 86.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.361 -0.837 . . . . 2.54 109.688 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.4 ttm180 -60.75 -41.55 95.62 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.246 -0.909 . . . . 3.39 109.523 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.5 t80 -55.17 -55.62 29.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.351 -0.843 . . . . 0.47 109.562 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.89 -37.99 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -0.825 . . . . 1.66 110.026 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.7 -46.59 87.42 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.208 -0.933 . . . . 0.61 110.221 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.31 -51.14 70.12 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.174 -0.954 . . . . 0.33 109.367 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -40.7 59.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.383 -0.823 . . . . 3.28 109.752 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.77 -41.23 90.6 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.271 -0.893 . . . . 1.78 109.866 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' D' ' 344' ' ' LEU . 70.3 mt -62.47 -45.05 94.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.38 109.494 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.39 -47.63 83.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 1.2 110.023 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.97 -36.91 82.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 2.12 109.946 -179.489 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.67 -51.83 68.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 0.26 110.038 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 29.0 mt -61.42 -41.46 97.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 0.4 109.682 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.8 -35.91 75.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.09 109.595 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' D' ' 350' ' ' LEU . 10.6 tp -63.95 -45.31 89.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.75 109.677 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.72 -43.38 98.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 2.19 109.122 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.67 -31.13 64.11 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.541 -0.724 . . . . 1.34 109.753 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.12 72.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.845 . . . . 0.72 109.556 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.539 ' OE1' HD21 ' D' ' 350' ' ' LEU . 9.3 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.917 . . . . 1.8 109.642 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.262 -0.644 . . . . 1.67 109.262 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.5 m-85 -93.16 153.73 18.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.61 109.528 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.4 m-85 -139.4 -171.97 3.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.56 109.455 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 66.9 p -153.23 160.1 42.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.878 . . . . 0.43 109.406 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.8 131.24 16.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.237 -0.914 . . . . 0.35 109.635 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.17 132.3 34.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.32 -0.863 . . . . 1.37 109.369 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' D' ' 338' ' ' PHE . 65.3 mt -123.5 109.21 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.48 109.506 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -73.62 116.87 14.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 2.08 109.331 179.854 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.58 4.22 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.443 -1.463 . . . . 0.4 109.443 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.2 ttp180 -80.93 -56.95 3.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -1.131 . . . . 2.64 109.72 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.37 -46.7 85.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.279 -0.888 . . . . 2.22 109.673 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.54 -41.67 94.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.251 -0.906 . . . . 2.74 109.509 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -55.16 -55.58 29.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 0.43 109.608 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.0 -37.89 54.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 1.69 109.971 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.81 -46.55 87.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.175 -0.953 . . . . 0.43 110.181 -179.348 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.31 -51.26 69.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.141 -0.975 . . . . 0.27 109.341 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.65 59.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.429 -0.795 . . . . 2.45 109.756 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.237 -0.914 . . . . 1.75 109.745 -179.576 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' C' ' 344' ' ' LEU . 70.1 mt -62.46 -44.97 95.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.31 109.508 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -58.46 -47.66 83.28 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.96 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -36.92 82.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 1.73 110.017 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.68 -51.77 68.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.28 110.065 -179.612 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.51 -41.39 97.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.31 109.663 -179.651 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.96 -35.72 75.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 1.91 109.587 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' C' ' 354' ' ' GLN . 10.6 tp -64.05 -45.32 89.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.43 109.627 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' C' ' 350' ' ' LEU . 35.5 ttmt -61.71 -43.25 99.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 1.57 109.136 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.83 -31.21 64.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.62 -0.675 . . . . 1.44 109.669 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -48.17 72.78 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.896 . . . . 0.64 109.637 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 1.21 109.621 -179.987 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.289 0.566 . . . . 1.7 109.569 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.19 153.21 17.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.61 109.766 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HG3' ' C' ' 331' ' ' GLN . 84.5 m-85 -140.91 -173.57 3.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.58 109.579 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.8 p -152.09 157.32 41.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.42 109.34 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -148.59 131.06 15.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.271 -0.893 . . . . 0.36 109.406 -179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.5 tt0 -85.78 131.88 34.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 1.37 109.2 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 341' ' ' PHE . 53.4 mt -123.99 115.48 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.962 . . . . 0.47 109.668 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.84 149.97 41.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 2.1 109.274 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.84 139.13 10.42 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.6 -1.4 . . . . 0.42 109.6 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.549 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 1.4 ttm-85 -82.26 -57.47 3.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.237 -1.155 . . . . 2.68 109.324 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.46 -41.34 89.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.406 -0.809 . . . . 2.22 109.647 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.44 -44.34 95.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.271 -0.893 . . . . 2.77 109.694 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.79 -53.28 57.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.43 109.54 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.98 -37.67 53.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 1.66 109.744 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 12.7 ttp -63.03 -45.82 90.5 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.18 -0.95 . . . . 0.44 110.115 -179.576 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 332' ' ' ILE . 23.2 m-85 -61.57 -54.22 45.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.29 109.333 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.72 -34.12 25.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 2.44 109.5 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 340' ' ' MET . 34.6 tt0 -60.25 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.187 -0.946 . . . . 1.74 109.521 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 344' ' ' LEU . 96.2 mt -61.45 -34.5 75.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.3 108.903 179.587 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.17 -54.06 51.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.462 -0.774 . . . . 1.22 109.53 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.23 -31.74 72.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.445 -0.785 . . . . 1.72 109.912 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.05 -54.41 45.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.185 -0.947 . . . . 0.27 110.045 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.16 -42.72 99.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.29 109.696 -179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.72 -35.46 74.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 1.91 109.595 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.611 HD11 ' NE2' ' B' ' 354' ' ' GLN . 18.6 tp -64.86 -42.03 95.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 0.41 109.366 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 30.3 ttmt -62.64 -50.1 72.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.81 . . . . 1.56 109.089 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.22 -30.46 64.61 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.601 -0.687 . . . . 1.43 109.805 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.17 91.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.66 109.944 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.52 ' OE1' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 1.18 109.765 -179.775 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.27 0.557 . . . . 1.61 109.544 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.18 153.24 17.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.912 . . . . 0.57 109.79 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.9 m-85 -140.92 -173.5 3.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -0.85 . . . . 0.53 109.549 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.403 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 56.9 p -152.06 157.35 41.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.38 109.343 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.63 130.99 15.63 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.278 -0.889 . . . . 0.36 109.472 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 32.6 tt0 -85.72 131.77 34.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.36 109.206 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' B' ' 341' ' ' PHE . 52.3 mt -123.88 115.38 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.49 109.792 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.9 149.9 41.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 2.1 109.358 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.09 10.42 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.598 -1.401 . . . . 0.44 109.598 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.535 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 1.4 ttm-85 -82.37 -57.35 3.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -1.16 . . . . 2.72 109.3 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -59.52 -41.43 89.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 2.21 109.65 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.35 -44.24 95.75 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.321 -0.862 . . . . 2.79 109.813 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.92 -53.23 58.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.312 -0.868 . . . . 0.45 109.537 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.96 -37.6 53.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 1.68 109.744 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 12.8 ttp -63.15 -45.82 90.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.223 -0.923 . . . . 0.43 109.984 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.479 ' CB ' HD13 ' B' ' 332' ' ' ILE . 23.3 m-85 -61.68 -54.18 46.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.28 109.345 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.67 -34.16 25.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.283 -0.886 . . . . 2.52 109.473 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 340' ' ' MET . 34.4 tt0 -60.27 -49.25 78.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 1.75 109.483 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 344' ' ' LEU . 96.1 mt -61.62 -34.34 75.5 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.278 -0.889 . . . . 0.31 108.962 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.12 -54.22 49.53 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.376 -0.828 . . . . 1.21 109.508 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.95 -31.88 73.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.495 -0.753 . . . . 1.69 109.978 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.1 -54.33 45.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.27 110.039 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.21 -42.7 99.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.899 . . . . 0.3 109.749 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.66 -35.67 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.93 109.577 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.52 HD11 ' OE1' ' A' ' 354' ' ' GLN . 18.6 tp -64.65 -42.11 95.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.4 109.393 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 30.3 ttmt -62.59 -50.15 72.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.468 -0.77 . . . . 1.59 109.11 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.24 -30.33 64.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.563 -0.711 . . . . 1.43 109.807 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.22 91.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.65 109.905 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.611 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 1.19 109.753 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.267 0.556 . . . . 2.11 109.557 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.2 153.34 17.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 0.64 109.835 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.5 m-85 -140.93 -173.58 3.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.49 109.59 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.6 p -152.04 157.21 41.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.129 -0.982 . . . . 0.47 109.332 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.44 131.13 15.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.42 109.47 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.5 tt0 -85.83 131.8 34.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 1.81 109.174 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' C' ' 341' ' ' PHE . 52.8 mt -123.89 115.44 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.42 109.731 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.85 149.93 41.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 2.35 109.341 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.13 10.45 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.619 -1.393 . . . . 0.41 109.619 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 1.4 ttm-85 -82.33 -57.39 3.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -1.12 . . . . 2.59 109.324 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -59.57 -41.17 89.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.344 -0.847 . . . . 2.54 109.67 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.65 -44.13 96.79 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.239 -0.913 . . . . 3.39 109.719 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.94 -53.19 58.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.868 . . . . 0.47 109.574 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.99 -37.61 53.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 1.66 109.718 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 12.7 ttp -63.11 -45.84 90.14 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.281 -0.887 . . . . 0.61 110.089 -179.568 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' C' ' 332' ' ' ILE . 23.4 m-85 -61.49 -54.38 44.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.084 -1.01 . . . . 0.33 109.295 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.71 -34.11 25.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 3.28 109.526 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' C' ' 340' ' ' MET . 34.6 tt0 -60.1 -49.47 77.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.13 -0.981 . . . . 1.78 109.487 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' D' ' 344' ' ' LEU . 96.1 mt -61.5 -34.47 75.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.199 -0.938 . . . . 0.38 108.917 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.05 -54.17 50.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.374 -0.828 . . . . 1.2 109.555 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.09 -31.92 73.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.426 -0.796 . . . . 2.12 109.971 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -54.4 45.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.26 110.029 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.4 109.713 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.52 74.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 2.09 109.644 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 18.7 tp -64.96 -41.9 95.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.376 -0.828 . . . . 0.75 109.359 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.68 -49.97 73.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 2.19 109.08 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -57.41 -30.43 64.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.618 -0.676 . . . . 1.34 109.754 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.21 91.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.72 109.954 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.217 -0.927 . . . . 1.8 109.7 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.217 0.532 . . . . 1.67 109.599 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.04 153.31 17.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.276 -0.89 . . . . 0.61 109.788 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.2 m-85 -141.01 -173.59 3.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.34 -0.85 . . . . 0.56 109.577 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 57.0 p -152.04 157.37 41.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.43 109.266 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.61 131.09 15.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 0.35 109.438 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.8 131.8 34.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 1.37 109.181 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.482 HD13 ' CB ' ' D' ' 341' ' ' PHE . 52.4 mt -123.88 115.38 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.48 109.828 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 150.0 41.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.928 . . . . 2.08 109.356 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.77 139.14 10.41 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.625 -1.39 . . . . 0.4 109.625 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.4 ttm-85 -82.3 -57.5 3.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -1.071 . . . . 2.64 109.285 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.44 -41.47 89.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 2.22 109.621 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.33 -44.38 95.54 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 2.74 109.652 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.2 t80 -54.83 -53.4 55.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.339 -0.851 . . . . 0.43 109.499 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.76 -37.73 52.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 1.69 109.786 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 12.6 ttp -63.05 -45.85 90.25 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.24 -0.913 . . . . 0.43 110.106 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.482 ' CB ' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.57 -54.34 44.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.972 . . . . 0.27 109.324 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.56 -34.2 24.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 2.45 109.529 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 34.7 tt0 -60.15 -49.39 77.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 1.75 109.52 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' C' ' 344' ' ' LEU . 96.1 mt -61.58 -34.35 75.46 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.164 -0.96 . . . . 0.31 108.899 179.669 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.15 -54.12 50.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.471 -0.768 . . . . 1.22 109.54 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.01 -32.0 73.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 1.73 109.936 -179.703 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.92 -54.36 45.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.28 110.106 -179.571 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.291 -0.881 . . . . 0.31 109.651 -179.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.51 74.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 1.91 109.619 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.66 HD21 ' NE2' ' C' ' 354' ' ' GLN . 18.8 tp -64.88 -41.96 95.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.314 -0.866 . . . . 0.43 109.308 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 30.3 ttmt -62.67 -50.02 72.81 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.462 -0.774 . . . . 1.57 109.086 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.3 -30.42 64.72 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.616 -0.677 . . . . 1.44 109.757 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.16 90.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.64 109.861 -179.466 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.292 -0.88 . . . . 1.21 109.709 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.248 0.547 . . . . 1.7 109.84 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.56 155.84 16.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.326 -0.859 . . . . 0.61 109.361 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 75.8 m-85 -140.82 136.37 32.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -0.9 . . . . 0.58 109.301 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.7 p -91.96 171.53 9.06 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.811 . . . . 0.42 109.931 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 330' ' ' LEU . 23.5 tp -148.96 132.39 16.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.316 -0.865 . . . . 0.36 109.345 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.48 122.36 31.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.385 -0.822 . . . . 1.37 109.774 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 341' ' ' PHE . 27.9 mt -124.01 109.75 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.47 109.402 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 1.8 tmt_? -72.99 147.24 45.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 2.1 109.754 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 95.73 131.4 6.62 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 6.0 ttm180 -79.6 -49.56 12.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.263 -1.139 . . . . 2.68 109.313 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.27 -47.21 86.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 2.22 109.323 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.722 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.0 tpp180 -62.51 -42.47 99.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.282 -0.886 . . . . 2.77 109.165 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 20.8 t80 -54.26 -48.94 70.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.33 -0.856 . . . . 0.43 109.289 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.82 -37.61 60.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.27 -0.894 . . . . 1.66 109.766 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -62.68 -46.71 86.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.44 110.06 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.6 m-85 -60.99 -50.9 71.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 0.29 109.452 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.08 -38.59 52.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.826 . . . . 2.44 109.721 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -50.98 71.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 1.74 109.899 -179.662 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 348' ' ' LEU . 84.5 mt -61.31 -33.87 74.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.3 109.209 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.05 -53.52 56.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.386 -0.821 . . . . 1.22 109.742 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.04 82.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.392 -0.818 . . . . 1.72 110.235 -179.598 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.92 -50.26 74.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.27 109.954 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.76 HD22 ' NH1' ' C' ' 337' ' ' ARG . 36.2 mt -62.17 -45.99 90.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.29 109.525 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.49 -31.79 69.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 1.91 109.589 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.512 HD11 ' OE1' ' B' ' 354' ' ' GLN . 14.8 tp -64.77 -47.36 78.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.905 . . . . 0.41 109.365 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.89 -48.87 78.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.457 -0.777 . . . . 1.56 109.128 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.7 -32.35 65.38 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.613 -0.68 . . . . 1.43 109.639 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.3 84.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.66 109.505 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 1.18 109.506 -179.92 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.158 0.504 . . . . 1.61 109.742 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -94.68 155.87 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.328 -0.858 . . . . 0.57 109.368 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 75.8 m-85 -140.83 136.3 32.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.53 109.331 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.94 171.72 8.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.328 -0.857 . . . . 0.38 109.838 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' B' ' 330' ' ' LEU . 23.4 tp -149.14 132.25 16.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.336 -0.852 . . . . 0.36 109.389 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.33 122.44 31.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.36 109.83 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' B' ' 341' ' ' PHE . 28.0 mt -124.14 109.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.49 109.291 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 1.8 tmt_? -72.95 147.19 45.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 2.1 109.703 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.413 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 95.8 131.35 6.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.83 -1.308 . . . . 0.44 109.83 179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 6.0 ttm180 -79.48 -49.7 11.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.175 . . . . 2.72 109.268 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.1 -47.31 85.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.288 -0.882 . . . . 2.21 109.417 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.782 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.0 tpp180 -62.52 -42.35 99.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.282 -0.886 . . . . 2.79 109.215 179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.425 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 20.6 t80 -54.32 -48.92 70.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.852 . . . . 0.45 109.3 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.74 -37.56 59.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 1.68 109.84 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.79 -46.67 86.92 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.27 -0.894 . . . . 0.43 110.024 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.4 m-85 -61.01 -50.83 71.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.28 109.398 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.23 -38.53 53.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 2.52 109.734 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -50.96 72.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 1.75 109.882 -179.681 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.471 HD23 HD21 ' A' ' 348' ' ' LEU . 84.9 mt -61.35 -33.8 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 0.31 109.218 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.1 -53.59 56.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.843 . . . . 1.21 109.683 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.18 82.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.69 110.194 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.07 75.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.27 110.049 -179.529 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.787 HD22 ' NH1' ' D' ' 337' ' ' ARG . 35.2 mt -62.09 -46.07 90.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 0.3 109.61 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.81 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -0.85 . . . . 1.93 109.581 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.416 HD23 HD23 ' A' ' 350' ' ' LEU . 14.7 tp -64.78 -47.47 78.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.4 109.294 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -61.88 -48.79 78.91 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.389 -0.82 . . . . 1.59 109.134 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.673 -0.642 . . . . 1.43 109.682 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.21 83.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 0.65 109.609 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.512 ' OE1' HD11 ' A' ' 350' ' ' LEU . 29.9 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 1.19 109.619 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.24 0.543 . . . . 2.11 109.806 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.6 155.79 16.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.381 -0.824 . . . . 0.64 109.387 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -140.78 136.36 32.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.49 109.165 179.332 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -91.95 171.58 9.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -0.813 . . . . 0.47 109.889 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' C' ' 330' ' ' LEU . 23.4 tp -149.0 132.34 16.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.829 . . . . 0.42 109.376 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.32 30.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 1.81 109.816 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' C' ' 341' ' ' PHE . 27.8 mt -123.91 109.77 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.252 -0.905 . . . . 0.42 109.339 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 1.8 tmt_? -72.98 147.18 45.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 2.35 109.733 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 95.7 131.39 6.61 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 6.0 ttm180 -79.57 -49.56 12.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.319 -1.106 . . . . 2.59 109.256 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.29 -47.32 85.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 2.54 109.335 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.76 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.0 tpp180 -62.44 -42.42 99.44 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 3.39 109.273 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CG ' ' HB2' ' A' ' 328' ' ' PHE . 20.4 t80 -54.29 -48.92 70.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.47 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.73 -37.51 59.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.222 -0.924 . . . . 1.66 109.856 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.86 -46.66 86.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.169 -0.957 . . . . 0.61 109.987 -179.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 21.6 m-85 -61.02 -50.82 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 0.33 109.457 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -51.19 -38.49 52.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 3.28 109.732 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.25 -50.96 72.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.039 -1.038 . . . . 1.78 109.933 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.493 HD23 HD21 ' D' ' 348' ' ' LEU . 84.7 mt -61.24 -33.92 74.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.189 -0.944 . . . . 0.38 109.187 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.09 -53.55 56.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.408 -0.807 . . . . 1.2 109.641 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -36.07 82.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 2.12 110.256 -179.54 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -50.17 74.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.26 110.013 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.722 HD22 ' NH1' ' A' ' 337' ' ' ARG . 35.7 mt -62.06 -46.06 90.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.4 109.617 -179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.88 69.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 2.09 109.519 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.434 HD11 ' OE1' ' D' ' 354' ' ' GLN . 14.7 tp -64.76 -47.37 78.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.75 109.335 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.85 -48.89 78.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.448 -0.782 . . . . 2.19 109.149 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.65 -32.43 65.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.507 -0.746 . . . . 1.34 109.621 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.34 84.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.274 -0.891 . . . . 0.72 109.46 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.482 ' OE1' HD11 ' D' ' 350' ' ' LEU . 29.5 mt-30 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.929 . . . . 1.8 109.569 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.28 0.562 . . . . 1.67 109.832 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.54 155.85 16.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.61 109.413 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 76.4 m-85 -140.89 136.36 32.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.56 109.271 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.3 p -91.91 171.75 8.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.43 109.864 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' D' ' 330' ' ' LEU . 23.5 tp -149.21 132.3 16.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 0.35 109.39 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.47 31.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.176 -0.953 . . . . 1.37 109.774 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' D' ' 341' ' ' PHE . 28.1 mt -124.07 109.55 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.253 -0.904 . . . . 0.48 109.303 179.634 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 1.9 tmt_? -72.82 147.04 45.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 2.08 109.793 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 95.86 131.4 6.66 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.739 -1.344 . . . . 0.4 109.739 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 6.0 ttm180 -79.53 -49.48 12.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -1.168 . . . . 2.64 109.354 179.723 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.3 -47.33 85.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 2.22 109.317 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.0 tpp180 -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.218 -0.926 . . . . 2.74 109.256 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 20.4 t80 -54.38 -48.9 70.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.43 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.69 -37.67 59.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.69 109.77 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.78 -46.67 86.93 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.22 -0.925 . . . . 0.43 110.054 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.415 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.8 m-85 -60.97 -50.82 71.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.27 109.425 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.32 -38.39 52.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 2.45 109.695 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.98 71.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 1.75 109.848 -179.722 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.542 HD23 HD21 ' C' ' 348' ' ' LEU . 84.8 mt -61.3 -33.92 74.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.092 -1.005 . . . . 0.31 109.209 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.07 -53.55 56.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.22 109.672 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -35.94 81.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.407 -0.808 . . . . 1.73 110.309 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.01 -50.22 74.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.28 109.9 -179.554 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.782 HD22 ' NH1' ' B' ' 337' ' ' ARG . 35.3 mt -62.05 -46.08 90.73 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.361 -0.837 . . . . 0.31 109.579 -179.732 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.53 -31.74 69.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 1.91 109.558 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.482 HD11 ' OE1' ' C' ' 354' ' ' GLN . 14.7 tp -64.84 -47.37 78.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.851 . . . . 0.43 109.344 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.74 -49.04 78.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.776 . . . . 1.57 109.145 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.63 -32.33 65.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.557 -0.714 . . . . 1.44 109.766 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.22 83.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.64 109.572 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.434 ' OE1' HD11 ' C' ' 350' ' ' LEU . 29.9 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.183 -0.948 . . . . 1.21 109.683 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.291 0.567 . . . . 1.7 109.522 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -93.28 157.12 16.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.61 109.437 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -140.16 -169.65 2.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.975 . . . . 0.58 109.771 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.5 p -153.29 157.46 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.42 109.507 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' C' ' 345' ' ' ASN . 11.0 tp -149.31 131.13 15.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.36 109.48 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -87.24 129.12 35.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 1.37 109.566 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 341' ' ' PHE . 40.3 mt -123.97 119.04 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 0.47 109.458 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.11 149.53 41.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 2.1 109.659 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.46 133.27 7.3 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.982 -1.247 . . . . 0.42 109.982 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.0 ttp180 -79.15 -59.88 2.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.25 -1.147 . . . . 2.68 109.31 179.864 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 25.1 pt-20 -58.6 -41.39 85.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.365 -0.835 . . . . 2.22 109.175 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.7 ttp180 -60.91 -45.73 93.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 2.77 109.368 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.48 -49.28 72.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.43 109.638 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.99 44.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.66 110.108 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -62.76 -46.03 89.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.044 -1.035 . . . . 0.44 110.039 -179.332 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.653 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 22.3 m-85 -61.5 -48.85 79.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.137 -0.977 . . . . 0.29 109.33 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -42.98 59.5 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.4 -0.813 . . . . 2.44 109.551 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.21 -40.9 87.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.74 109.8 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.422 HD22 HD22 ' B' ' 344' ' ' LEU . 71.9 mt -62.62 -45.83 91.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.203 -0.936 . . . . 0.3 109.46 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.1 t30 -57.91 -45.01 87.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 1.22 109.789 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.42 -38.37 89.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.295 -0.878 . . . . 1.72 109.839 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.34 -49.24 78.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.25 -0.906 . . . . 0.27 109.784 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 17.5 mt -61.9 -42.32 98.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.29 109.825 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.86 -37.3 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 1.91 109.856 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.14 -49.18 73.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.41 109.315 -179.589 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.89 79.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.787 -0.819 . . . . 1.56 108.787 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.77 -38.23 81.24 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.599 -0.688 . . . . 1.43 109.375 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -23.92 66.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.499 -0.751 . . . . 0.66 109.549 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.473 ' OE1' HD11 ' B' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.94 . . . . 1.18 109.323 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.47 -0.567 . . . . 1.61 109.47 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 22.8 m-85 -93.4 157.23 16.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.884 . . . . 0.57 109.36 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.7 m-85 -140.18 -169.7 2.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.936 . . . . 0.53 109.726 -179.834 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.4 p -153.34 157.46 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.38 109.43 -179.739 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.0 tp -149.18 131.14 15.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.36 109.54 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.3 tt0 -87.31 129.16 35.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 1.36 109.513 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' B' ' 341' ' ' PHE . 39.7 mt -123.88 118.97 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.49 109.493 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.06 149.52 41.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.314 -0.866 . . . . 2.1 109.731 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 133.35 7.34 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.908 -1.277 . . . . 0.44 109.908 179.673 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.1 ttp180 -79.18 -59.95 2.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.125 . . . . 2.72 109.366 179.723 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 25.1 pt-20 -58.57 -41.31 85.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.847 . . . . 2.21 109.209 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.7 ttp180 -60.95 -45.72 93.59 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.308 -0.87 . . . . 2.79 109.417 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.55 -49.29 73.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.45 109.592 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.93 44.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 1.68 110.11 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.2 ttp -62.82 -46.04 89.8 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.697 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 22.3 m-85 -61.4 -48.94 78.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.28 109.348 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -42.92 58.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.382 -0.824 . . . . 2.52 109.658 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.37 -40.88 87.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.75 109.748 -179.699 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 344' ' ' LEU . 71.8 mt -62.53 -45.81 91.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.31 109.552 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.43 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.0 t30 -57.88 -45.15 86.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 1.21 109.753 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.26 -38.41 89.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -0.912 . . . . 1.69 109.877 -179.643 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -49.26 78.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.266 -0.896 . . . . 0.27 109.717 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.668 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 17.5 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.3 109.787 -179.66 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.95 -37.31 81.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.337 -0.852 . . . . 1.93 109.792 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.598 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.23 -49.02 73.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.4 109.289 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 35.3 ttmt -60.4 -37.05 79.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.265 -0.897 . . . . 1.59 108.891 179.654 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.62 -38.15 80.53 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.604 -0.685 . . . . 1.43 109.456 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.81 -24.03 66.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.448 -0.782 . . . . 0.65 109.537 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.362 -0.836 . . . . 1.19 109.371 179.895 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.522 -0.547 . . . . 2.11 109.522 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 22.7 m-85 -93.43 157.21 16.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.64 109.412 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.3 m-85 -140.14 -169.73 2.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.15 -0.969 . . . . 0.49 109.8 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.4 p -153.42 157.45 39.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.47 109.482 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 345' ' ' ASN . 11.1 tp -149.18 131.12 15.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.121 -0.987 . . . . 0.42 109.555 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -87.3 129.11 35.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 1.81 109.483 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.409 HD13 ' CB ' ' C' ' 341' ' ' PHE . 40.1 mt -123.95 118.96 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.42 109.499 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -73.97 149.45 41.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 2.35 109.773 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.53 133.36 7.35 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.967 -1.253 . . . . 0.41 109.967 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.0 ttp180 -79.32 -59.81 2.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.329 -1.101 . . . . 2.59 109.261 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 25.1 pt-20 -58.63 -41.41 85.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 2.54 109.185 179.772 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.7 ttp180 -60.77 -45.86 92.71 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.364 -0.835 . . . . 3.39 109.36 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.45 -49.34 72.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.398 -0.814 . . . . 0.47 109.624 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.98 44.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 1.66 110.106 -179.528 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.69 -46.17 89.37 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.146 -0.971 . . . . 0.61 110.02 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.4 -48.91 79.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.104 -0.997 . . . . 0.33 109.29 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -42.83 59.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.407 -0.808 . . . . 3.28 109.6 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -59.35 -40.91 87.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.254 -0.904 . . . . 1.78 109.727 -179.727 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' D' ' 344' ' ' LEU . 71.9 mt -62.51 -45.88 90.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.38 109.493 -179.881 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.421 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.0 t30 -57.92 -45.06 87.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.88 . . . . 1.2 109.767 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.24 -38.51 89.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 2.12 109.919 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.39 -49.24 78.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.26 109.746 -179.722 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.653 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 17.4 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.4 109.81 -179.687 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.97 -37.44 82.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 2.09 109.735 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.598 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.02 -49.04 73.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.75 109.384 -179.597 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 35.3 ttmt -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.33 -0.856 . . . . 2.19 108.862 179.708 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.71 -38.13 80.77 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.549 -0.719 . . . . 1.34 109.322 179.656 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -24.17 66.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.72 109.47 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.8 109.333 -179.993 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.301 0.572 . . . . 1.67 109.475 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -93.34 157.21 16.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.282 -0.887 . . . . 0.61 109.442 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.6 m-85 -140.18 -169.84 2.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.975 . . . . 0.56 109.801 -179.795 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 1.4 p -153.23 157.43 40.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.43 109.464 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.0 tp -149.25 131.07 15.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.35 109.541 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.15 129.07 35.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 1.37 109.54 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' D' ' 341' ' ' PHE . 40.3 mt -123.93 119.0 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.48 109.458 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.05 149.56 41.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 2.08 109.677 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.5 133.27 7.31 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.994 -1.243 . . . . 0.4 109.994 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttp180 -79.17 -59.93 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -1.14 . . . . 2.64 109.345 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 25.1 pt-20 -58.51 -41.41 85.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 2.22 109.163 179.806 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.7 ttp180 -60.89 -45.85 92.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.389 -0.819 . . . . 2.74 109.393 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.45 -49.28 72.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.403 -0.81 . . . . 0.43 109.652 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.89 44.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.213 -0.929 . . . . 1.69 110.14 -179.57 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.8 -46.13 89.39 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.052 -1.03 . . . . 0.43 109.988 -179.357 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.668 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 22.3 m-85 -61.43 -48.9 79.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.27 109.288 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -42.74 60.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.309 -0.869 . . . . 2.45 109.658 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.34 -40.86 87.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.207 -0.933 . . . . 1.75 109.801 -179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' C' ' 344' ' ' LEU . 72.2 mt -62.5 -45.93 90.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.109 -0.995 . . . . 0.31 109.563 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' B' ' 330' ' ' LEU . 54.9 t30 -57.91 -45.0 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.856 . . . . 1.22 109.817 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.34 -38.38 89.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.366 -0.834 . . . . 1.73 109.825 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.45 -49.22 78.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.28 109.691 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.697 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 17.5 mt -61.83 -42.42 99.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.368 -0.832 . . . . 0.31 109.801 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.78 -37.45 81.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 1.91 109.861 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.604 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.19 -49.04 73.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.43 109.35 -179.532 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.93 79.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.57 108.812 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -59.69 -38.15 80.75 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.528 -0.733 . . . . 1.44 109.419 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -24.12 66.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.461 -0.775 . . . . 0.64 109.504 -179.831 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.465 ' OE1' HD11 ' C' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.92 . . . . 1.21 109.401 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.306 0.574 . . . . 1.7 109.939 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -96.82 154.16 17.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.988 . . . . 0.61 109.175 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.63 -174.79 3.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.142 -0.974 . . . . 0.58 109.802 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.0 p -153.44 159.08 42.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.42 109.273 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.1 tp -149.05 129.29 13.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.14 -0.975 . . . . 0.36 109.63 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.45 129.77 34.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.37 109.338 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.2 mt -123.83 117.1 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.47 109.559 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.57 156.61 37.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 2.1 109.537 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.1 139.04 6.32 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.756 -1.338 . . . . 0.42 109.756 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.02 -60.59 2.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.348 -1.089 . . . . 2.68 109.531 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.46 -38.09 76.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 2.22 109.65 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.665 HH12 HD22 ' C' ' 348' ' ' LEU . 5.4 tpp180 -62.76 -46.97 85.55 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.287 -0.883 . . . . 2.77 109.54 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' A' ' 332' ' ' ILE . 42.1 t80 -54.88 -51.2 66.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 0.43 109.491 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.26 -32.78 38.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 1.66 109.92 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.56 -52.04 62.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.139 -0.976 . . . . 0.44 110.06 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 19.4 m-85 -60.85 -51.77 67.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.29 109.14 -179.885 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.43 -38.1 41.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.494 -0.754 . . . . 2.44 109.371 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -61.74 -43.96 97.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -0.839 . . . . 1.74 109.793 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.96 -47.02 86.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.341 -0.849 . . . . 0.3 109.737 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.473 ' HB2' HD21 ' C' ' 330' ' ' LEU . 44.7 t30 -58.22 -42.98 87.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 1.22 109.783 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -41.94 99.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 1.72 109.89 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.6 -46.24 89.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.27 109.843 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.616 HD22 HH12 ' C' ' 337' ' ' ARG . 75.4 mt -62.06 -43.5 98.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.29 109.714 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.93 -37.25 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.91 109.78 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -63.53 -48.69 76.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.41 109.732 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.521 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 27.7 ttmt -61.19 -40.8 95.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.312 -0.868 . . . . 1.56 109.153 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.23 -33.03 67.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.559 -0.713 . . . . 1.43 109.586 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.18 89.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.66 109.342 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.18 109.43 179.71 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.217 0.532 . . . . 1.61 109.965 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -96.73 154.21 17.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.198 -0.939 . . . . 0.57 109.207 179.45 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.8 m-85 -139.57 -174.74 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.53 109.862 -179.695 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.1 p -153.52 159.16 42.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.38 109.256 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.13 129.2 13.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.36 109.529 -179.793 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.47 129.81 34.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.35 -0.843 . . . . 1.36 109.379 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.5 mt -123.77 117.04 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.11 -0.994 . . . . 0.49 109.507 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.63 156.67 37.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.253 -0.905 . . . . 2.1 109.544 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.04 138.98 6.25 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.608 -1.397 . . . . 0.44 109.608 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -79.83 -60.67 2.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -1.104 . . . . 2.72 109.528 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.51 -38.02 76.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.323 -0.861 . . . . 2.21 109.667 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.637 HH12 HD22 ' D' ' 348' ' ' LEU . 5.4 tpp180 -62.8 -46.88 85.89 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.124 -0.985 . . . . 2.79 109.579 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' B' ' 332' ' ' ILE . 42.1 t80 -54.83 -51.36 66.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.425 -0.797 . . . . 0.45 109.477 179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.03 -32.92 36.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 1.68 109.941 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.52 -52.07 62.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.134 -0.979 . . . . 0.43 110.081 -179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' B' ' 332' ' ' ILE . 19.5 m-85 -60.79 -51.82 67.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.28 109.183 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.47 -38.05 41.75 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.439 -0.788 . . . . 2.52 109.38 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.75 -44.07 97.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.912 . . . . 1.75 109.683 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.86 -47.03 86.86 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.235 -0.916 . . . . 0.31 109.747 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.0 t30 -58.26 -42.89 87.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.264 -0.898 . . . . 1.21 109.775 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 1.69 109.769 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.59 -46.2 89.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.27 109.827 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.773 HD22 HH12 ' D' ' 337' ' ' ARG . 75.3 mt -62.03 -43.47 98.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.3 109.845 -179.7 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -60.96 -37.22 81.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 1.93 109.711 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.656 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -63.56 -48.7 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.358 -0.839 . . . . 0.4 109.824 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . 27.8 ttmt -61.21 -40.7 94.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.324 -0.86 . . . . 1.59 109.141 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.24 -33.18 67.3 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.543 -0.723 . . . . 1.43 109.6 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.16 89.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 0.65 109.337 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.19 109.337 179.766 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.226 0.536 . . . . 2.11 109.998 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -96.81 154.34 17.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.64 109.198 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.4 m-85 -139.68 -174.78 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.133 -0.979 . . . . 0.49 109.788 -179.632 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.0 p -153.53 159.13 42.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.47 109.25 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -149.08 129.26 13.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.42 109.515 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.38 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.393 -0.817 . . . . 1.81 109.415 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.4 mt -123.79 117.11 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 0.42 109.568 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.65 156.68 37.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.295 -0.878 . . . . 2.35 109.508 179.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.94 6.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.648 -1.381 . . . . 0.41 109.648 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.79 -60.7 2.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 2.59 109.514 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.01 76.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -0.924 . . . . 2.54 109.607 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.616 HH12 HD22 ' A' ' 348' ' ' LEU . 5.4 tpp180 -62.88 -46.84 85.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.229 -0.919 . . . . 3.39 109.543 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' C' ' 332' ' ' ILE . 41.7 t80 -54.94 -51.35 66.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.47 109.336 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -52.08 -32.82 36.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 1.66 109.942 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.62 -52.01 62.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.61 110.095 -179.368 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' C' ' 332' ' ' ILE . 19.6 m-85 -60.84 -51.76 67.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -0.918 . . . . 0.33 109.228 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.39 -38.07 40.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 3.28 109.439 179.6 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.7 -44.11 97.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.328 -0.857 . . . . 1.78 109.781 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.83 -47.11 86.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.38 109.79 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 44.7 t30 -58.21 -42.85 87.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 1.2 109.878 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 2.12 109.823 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.58 -46.25 89.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.26 109.86 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.665 HD22 HH12 ' A' ' 337' ' ' ARG . 75.2 mt -61.92 -43.52 98.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.356 -0.84 . . . . 0.4 109.796 -179.741 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -60.96 -37.2 81.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 2.09 109.672 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.667 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -63.57 -48.73 76.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.387 -0.821 . . . . 0.75 109.75 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -61.19 -40.78 95.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 2.19 109.115 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.25 -33.11 67.25 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.574 -0.704 . . . . 1.34 109.613 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.27 89.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.283 -0.886 . . . . 0.72 109.418 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.34 -0.85 . . . . 1.8 109.428 179.75 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.219 0.533 . . . . 1.67 109.964 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -96.82 154.18 17.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.102 -0.999 . . . . 0.61 109.14 179.367 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.9 m-85 -139.58 -174.72 3.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.56 109.839 -179.765 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 19.9 p -153.55 159.16 42.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.43 109.23 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.14 129.22 13.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 0.35 109.519 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.37 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.9 . . . . 1.37 109.399 179.794 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.5 mt -123.86 117.16 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.167 -0.958 . . . . 0.48 109.542 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.66 156.64 37.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.869 . . . . 2.08 109.534 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.91 6.27 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.763 -1.335 . . . . 0.4 109.763 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -79.87 -60.64 2.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.341 -1.094 . . . . 2.64 109.505 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.04 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.836 . . . . 2.22 109.515 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.773 HH12 HD22 ' B' ' 348' ' ' LEU . 5.5 tpp180 -62.86 -46.88 85.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.2 -0.937 . . . . 2.74 109.586 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.55 ' HD1' HD12 ' D' ' 332' ' ' ILE . 42.0 t80 -54.76 -51.41 65.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.43 109.459 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.21 -32.68 37.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.69 109.919 -179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.7 -51.9 62.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.217 -0.927 . . . . 0.43 110.096 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' D' ' 332' ' ' ILE . 19.3 m-85 -60.95 -51.76 67.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.27 109.13 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.5 -38.03 42.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.36 -0.837 . . . . 2.45 109.383 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.66 -44.04 97.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.345 -0.847 . . . . 1.75 109.794 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -47.04 86.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.9 . . . . 0.31 109.708 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.7 t30 -58.14 -42.91 86.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.902 . . . . 1.22 109.867 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -41.95 99.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 1.73 109.807 -179.689 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.59 -46.28 89.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 0.28 109.795 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.637 HD22 HH12 ' B' ' 337' ' ' ARG . 75.1 mt -61.91 -43.42 98.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.31 109.8 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.02 -37.23 81.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.91 109.709 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.663 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -63.55 -48.7 76.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.43 109.723 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 27.8 ttmt -61.28 -40.77 95.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.321 -0.862 . . . . 1.57 109.105 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.19 -33.07 67.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.556 -0.715 . . . . 1.44 109.562 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.17 89.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.859 . . . . 0.64 109.325 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.416 ' OE1' HD11 ' C' ' 350' ' ' LEU . 68.0 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 1.21 109.457 179.698 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.282 -0.636 . . . . 1.7 109.282 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -94.67 160.12 14.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.61 109.701 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.9 m-85 -138.76 -168.77 2.48 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.191 -0.943 . . . . 0.58 109.341 179.888 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.8 p -154.01 160.65 42.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.166 -0.959 . . . . 0.42 109.566 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -149.45 130.03 13.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.36 109.376 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -86.06 134.75 33.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.291 -0.881 . . . . 1.37 109.593 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.653 HD12 ' HD1' ' A' ' 338' ' ' PHE . 47.9 mt -124.07 117.41 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.286 -0.884 . . . . 0.47 109.35 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 144.3 47.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.427 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.29 136.02 7.24 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.606 -1.398 . . . . 0.42 109.606 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 68.8 ttt180 -81.15 -47.59 13.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -1.152 . . . . 2.68 109.505 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -47.92 82.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.391 -0.818 . . . . 2.22 109.493 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.0 tpp180 -61.94 -42.35 99.01 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.304 -0.873 . . . . 2.77 109.713 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.653 ' HD1' HD12 ' A' ' 332' ' ' ILE . 50.7 t80 -54.67 -49.0 71.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.346 -0.846 . . . . 0.43 109.449 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.24 -38.16 57.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 1.66 109.769 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.0 -46.9 87.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.233 -0.917 . . . . 0.44 110.112 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.531 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.0 m-85 -60.76 -49.18 78.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.149 -0.97 . . . . 0.29 109.137 -179.794 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -38.66 56.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.501 -0.749 . . . . 2.44 109.569 179.818 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.24 66.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 1.74 110.089 -179.518 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' B' ' 344' ' ' LEU . 35.2 mt -59.65 -33.69 71.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.993 -1.067 . . . . 0.3 108.939 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.0 t-20 -60.01 -54.07 50.32 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 1.22 109.801 179.773 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.78 -32.98 74.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.434 -0.792 . . . . 1.72 110.33 -179.497 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.43 -53.26 58.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.27 109.961 -179.635 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.818 HD22 ' NH1' ' C' ' 337' ' ' ARG . 51.8 mt -60.88 -43.15 98.83 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.29 109.741 -179.56 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.61 -35.71 76.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.202 -0.936 . . . . 1.91 109.713 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -65.69 -46.22 79.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.41 109.553 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -37.84 84.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.406 -0.809 . . . . 1.56 108.972 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.47 -33.76 68.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.602 -0.686 . . . . 1.43 109.625 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -48.77 68.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.66 109.483 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.499 -0.751 . . . . 1.18 109.74 -179.876 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.314 -0.624 . . . . 1.61 109.314 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.83 160.17 14.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.57 109.663 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.4 m-85 -138.77 -168.93 2.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.53 109.443 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.4 p -153.86 160.6 42.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.38 109.594 -179.89 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -149.35 130.31 14.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.872 . . . . 0.36 109.225 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -86.32 134.71 33.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.884 . . . . 1.36 109.51 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.662 HD12 ' HD1' ' B' ' 338' ' ' PHE . 48.4 mt -124.06 117.51 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.49 109.394 179.777 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 144.26 47.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.938 . . . . 2.1 109.412 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.22 136.3 7.32 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.528 -1.429 . . . . 0.44 109.528 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 68.7 ttt180 -81.38 -47.7 12.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.132 -1.216 . . . . 2.72 109.492 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -48.11 81.09 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.384 -0.822 . . . . 2.21 109.394 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 6.1 tpp180 -61.74 -42.4 98.92 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.406 -0.809 . . . . 2.79 109.799 -179.896 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.662 ' HD1' HD12 ' B' ' 332' ' ' ILE . 50.6 t80 -54.71 -49.02 71.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.257 -0.902 . . . . 0.45 109.484 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.15 -38.04 56.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.433 -0.792 . . . . 1.68 109.836 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.0 -47.03 86.59 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.355 -0.84 . . . . 0.43 110.212 -179.536 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.54 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.78 -49.24 78.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.28 109.124 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -38.8 56.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.384 -0.823 . . . . 2.52 109.536 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -52.46 65.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 110.09 -179.54 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' A' ' 344' ' ' LEU . 36.0 mt -59.53 -33.61 71.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.992 . . . . 0.31 108.987 -179.828 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.1 t-20 -60.11 -54.08 50.18 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.549 -0.719 . . . . 1.21 109.805 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -62.76 -32.99 74.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 1.69 110.279 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.4 -53.36 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.126 -0.984 . . . . 0.27 109.953 -179.624 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.784 HD22 HH12 ' D' ' 337' ' ' ARG . 51.8 mt -60.74 -43.07 98.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.3 109.715 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.77 -35.79 77.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 1.93 109.642 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -65.45 -46.45 79.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.4 109.529 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -37.83 84.63 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.308 -0.87 . . . . 1.59 109.049 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -57.31 -33.78 68.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.562 -0.712 . . . . 1.43 109.691 179.896 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -48.69 68.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.3 -0.875 . . . . 0.65 109.472 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.412 -0.805 . . . . 1.19 109.732 -179.811 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.337 -0.616 . . . . 2.11 109.337 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.81 160.19 14.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.243 -0.911 . . . . 0.64 109.617 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 83.2 m-85 -138.8 -168.68 2.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.49 109.359 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.6 p -154.08 160.48 41.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.47 109.585 -179.84 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.3 tp -149.33 130.17 14.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.294 -0.879 . . . . 0.42 109.392 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.75 33.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 1.81 109.517 -179.898 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' C' ' 338' ' ' PHE . 47.6 mt -123.99 117.31 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.42 109.333 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 144.49 47.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 2.35 109.367 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.01 136.27 7.21 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 0.41 109.603 -179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 68.9 ttt180 -81.27 -47.61 13.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -1.177 . . . . 2.59 109.486 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -47.84 82.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.924 . . . . 2.54 109.498 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.818 ' NH1' HD22 ' A' ' 348' ' ' LEU . 5.9 tpp180 -62.03 -42.38 99.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.269 -0.894 . . . . 3.39 109.635 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.642 ' HD1' HD12 ' C' ' 332' ' ' ILE . 50.9 t80 -54.58 -48.91 71.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.262 -0.898 . . . . 0.47 109.571 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -52.23 -38.18 57.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 1.66 109.823 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.02 -46.8 87.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.21 -0.931 . . . . 0.61 110.185 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.547 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.0 m-85 -60.8 -49.23 78.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.33 109.163 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -38.81 56.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.473 -0.767 . . . . 3.28 109.605 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -52.14 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 1.78 110.155 -179.566 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 344' ' ' LEU . 34.9 mt -59.85 -33.56 71.95 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.115 -0.991 . . . . 0.38 108.915 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.04 -54.03 50.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.516 -0.74 . . . . 1.2 109.781 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.84 -32.97 74.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.372 -0.83 . . . . 2.12 110.31 -179.42 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.47 -53.28 58.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.06 -1.025 . . . . 0.26 109.951 -179.615 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 52.8 mt -60.83 -43.24 98.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.244 -0.91 . . . . 0.4 109.65 -179.583 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.67 -35.54 76.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 2.09 109.63 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -65.66 -46.51 78.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.75 109.503 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -37.78 84.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.436 -0.79 . . . . 2.19 108.996 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.49 -33.8 68.4 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.438 -0.789 . . . . 1.34 109.576 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -48.87 68.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.72 109.378 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.429 ' OE1' HD11 ' D' ' 350' ' ' LEU . 87.6 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.418 -0.801 . . . . 1.8 109.772 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.315 -0.624 . . . . 1.67 109.315 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -94.69 160.2 14.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.193 -0.942 . . . . 0.61 109.684 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.0 m-85 -138.88 -168.88 2.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.359 -0.838 . . . . 0.56 109.428 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.85 160.69 42.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.43 109.554 -179.801 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.5 130.23 14.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.883 . . . . 0.35 109.303 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.67 33.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.24 -0.912 . . . . 1.37 109.609 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.65 HD12 ' HD1' ' D' ' 338' ' ' PHE . 47.9 mt -124.09 117.47 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -0.91 . . . . 0.48 109.264 179.891 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 144.35 47.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.923 . . . . 2.08 109.4 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.21 136.34 7.34 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.616 -1.394 . . . . 0.4 109.616 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 68.8 ttt180 -81.42 -47.56 13.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -1.153 . . . . 2.64 109.437 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.383 -0.823 . . . . 2.22 109.446 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.784 HH12 HD22 ' B' ' 348' ' ' LEU . 6.0 tpp180 -61.69 -42.42 98.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.446 -0.784 . . . . 2.74 109.772 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.65 ' HD1' HD12 ' D' ' 332' ' ' ILE . 50.5 t80 -54.64 -49.07 71.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.286 -0.884 . . . . 0.43 109.453 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.16 -38.22 56.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 1.69 109.815 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -61.93 -46.85 87.52 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.194 -0.941 . . . . 0.43 110.15 -179.489 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.8 -49.27 78.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 0.27 109.221 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -38.77 56.55 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.431 -0.793 . . . . 2.45 109.585 179.749 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -52.21 66.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.75 110.114 -179.525 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' C' ' 344' ' ' LEU . 36.2 mt -59.76 -33.55 71.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.09 -1.006 . . . . 0.31 108.939 -179.825 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.448 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.1 t-20 -60.07 -54.07 50.3 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.512 -0.742 . . . . 1.22 109.775 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -62.81 -32.95 74.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.509 -0.744 . . . . 1.73 110.249 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.36 -53.34 57.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.28 110.023 -179.668 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 52.6 mt -60.87 -43.03 98.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.31 109.661 -179.537 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.7 -35.75 77.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -0.94 . . . . 1.91 109.653 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.713 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.37 -46.52 79.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.43 109.557 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.37 -37.67 84.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.83 . . . . 1.57 108.942 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.41 -33.81 68.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.547 -0.72 . . . . 1.44 109.744 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.75 68.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 0.64 109.534 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.382 -0.824 . . . . 1.21 109.763 -179.874 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.283 0.563 . . . . 1.7 109.732 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.78 146.99 23.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 0.61 109.099 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.9 m-85 -140.41 -169.97 2.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.158 -0.964 . . . . 0.58 109.804 -179.718 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.9 p -153.15 165.04 36.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.42 109.417 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' C' ' 345' ' ' ASN . 13.4 tp -149.89 133.39 16.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.36 109.576 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.1 130.7 34.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.37 109.39 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.7 mt -123.95 118.99 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.106 -0.997 . . . . 0.47 109.667 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.82 151.67 40.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 2.1 109.57 179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.78 138.53 7.06 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.841 -1.303 . . . . 0.42 109.841 179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 6.3 ttt180 -82.59 -58.02 3.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -1.127 . . . . 2.68 109.473 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -43.01 87.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.203 -0.936 . . . . 2.22 109.256 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -41.82 97.71 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.241 -0.912 . . . . 2.77 109.342 179.846 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.5 t80 -54.82 -57.14 12.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.45 -0.781 . . . . 0.43 109.527 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.01 -30.78 16.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 1.66 109.685 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.44 -50.85 68.12 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.105 -0.997 . . . . 0.44 109.863 -179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.553 ' HB2' HD13 ' A' ' 332' ' ' ILE . 23.5 m-85 -61.44 -50.55 72.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 0.29 109.175 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -51.08 -36.3 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.852 . . . . 2.44 109.204 179.59 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.38 -49.43 77.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 1.74 109.707 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 344' ' ' LEU . 60.0 mt -61.28 -33.7 73.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -0.895 . . . . 0.3 108.881 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.505 ' HB2' HD21 ' C' ' 330' ' ' LEU . 17.3 t-20 -59.0 -55.08 39.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.465 -0.772 . . . . 1.22 109.414 179.477 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.94 -27.36 69.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 1.72 109.856 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -57.43 12.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 0.27 110.123 -179.517 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.7 -40.93 94.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.29 109.579 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 18.9 mt-10 -59.41 -36.45 75.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.91 109.425 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' B' ' 351' ' ' LYS . 11.2 tp -64.95 -40.14 94.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.41 109.382 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.84 -50.86 70.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.433 -0.792 . . . . 1.56 109.067 179.781 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.32 -31.07 63.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.595 -0.691 . . . . 1.43 109.745 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.85 89.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 0.66 109.827 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' B' ' 350' ' ' LEU . 12.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.18 109.748 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.205 0.526 . . . . 1.61 109.672 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -94.76 147.02 23.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.57 109.042 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -140.37 -169.94 2.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.125 -0.984 . . . . 0.53 109.81 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.7 p -153.25 165.07 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.38 109.403 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' D' ' 345' ' ' ASN . 13.4 tp -149.83 133.61 16.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.64 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 130.66 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.856 . . . . 1.36 109.38 179.754 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.0 mt -124.0 119.03 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.166 -0.959 . . . . 0.49 109.592 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.76 151.7 40.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 2.1 109.546 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 138.61 7.08 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.819 -1.312 . . . . 0.44 109.819 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 6.3 ttt180 -82.69 -58.05 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -1.116 . . . . 2.72 109.34 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.23 -43.01 87.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.899 . . . . 2.21 109.246 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -41.81 97.77 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 2.79 109.226 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.6 t80 -54.79 -57.16 12.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.487 -0.758 . . . . 0.45 109.468 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.07 -30.72 16.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 1.68 109.662 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.51 -50.87 67.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.249 -0.907 . . . . 0.43 109.847 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.55 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.5 m-85 -61.46 -50.41 72.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.189 -0.945 . . . . 0.28 109.155 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.489 ' NH1' ' HG2' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -51.19 -36.31 40.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 2.52 109.265 179.576 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.38 -49.44 77.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.255 -0.903 . . . . 1.75 109.668 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 344' ' ' LEU . 59.5 mt -61.14 -33.76 73.92 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.31 108.908 179.775 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 17.4 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.477 -0.764 . . . . 1.21 109.269 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.83 -27.4 69.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 1.69 109.841 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.08 -57.33 12.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.27 110.129 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.81 -40.91 94.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.3 109.613 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 349' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 18.8 mt-10 -59.41 -36.27 75.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.216 -0.927 . . . . 1.93 109.526 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' A' ' 354' ' ' GLN . 11.2 tp -65.03 -40.09 94.33 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.4 109.349 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.01 -50.7 70.99 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.452 -0.78 . . . . 1.59 109.001 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.49 -30.97 63.59 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.661 -0.649 . . . . 1.43 109.689 179.84 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.892 . . . . 0.65 109.824 -179.585 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.412 ' OE1' HD21 ' A' ' 350' ' ' LEU . 12.1 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.173 -0.954 . . . . 1.19 109.734 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.147 0.498 . . . . 2.11 109.752 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.87 147.13 23.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 0.64 109.024 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.3 m-85 -140.47 -169.98 2.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.49 109.867 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.7 p -153.2 165.03 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.291 -0.881 . . . . 0.47 109.46 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.4 tp -149.81 133.54 16.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.146 -0.972 . . . . 0.42 109.613 -179.593 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.36 130.69 34.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 1.81 109.33 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.9 mt -123.96 118.94 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.63 151.74 40.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 2.35 109.565 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.73 138.57 7.05 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 6.3 ttt180 -82.71 -58.01 3.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -1.107 . . . . 2.59 109.401 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 -42.93 87.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.54 109.204 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -41.76 97.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.326 -0.859 . . . . 3.39 109.292 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' C' ' 332' ' ' ILE . 34.6 t80 -54.83 -57.19 12.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.784 . . . . 0.47 109.479 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.14 -30.65 17.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.66 109.689 -179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.48 -50.84 68.08 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.162 -0.961 . . . . 0.61 109.865 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.4 -50.47 72.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.33 109.207 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.467 ' HG2' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -51.15 -36.25 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 3.28 109.303 179.542 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.52 -49.25 78.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.881 . . . . 1.78 109.644 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' D' ' 344' ' ' LEU . 59.4 mt -61.38 -33.62 73.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.38 108.876 179.763 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.493 ' HB2' HD21 ' A' ' 330' ' ' LEU . 17.4 t-20 -59.09 -55.1 39.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.442 -0.786 . . . . 1.2 109.36 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.92 -27.44 69.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.448 -0.783 . . . . 2.12 109.833 -179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.99 -57.32 13.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 0.26 110.198 -179.56 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.81 -40.84 94.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.111 -0.993 . . . . 0.4 109.643 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 18.8 mt-10 -59.45 -36.41 75.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 2.09 109.433 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.97 -40.16 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.795 . . . . 0.75 109.307 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -50.66 71.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.448 -0.783 . . . . 2.19 109.082 179.789 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.54 -30.89 63.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.639 -0.663 . . . . 1.34 109.777 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 0.72 109.854 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' D' ' 350' ' ' LEU . 12.0 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.8 109.76 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.195 0.521 . . . . 1.67 109.681 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -94.86 147.05 23.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.905 . . . . 0.61 109.092 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.0 m-85 -140.39 -169.96 2.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.055 -1.028 . . . . 0.56 109.789 -179.623 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.8 p -153.24 164.88 37.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.43 109.391 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.4 tp -149.77 133.6 16.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.35 109.627 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.26 130.64 34.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.28 -0.888 . . . . 1.37 109.333 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.556 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.1 mt -124.06 118.89 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.97 . . . . 0.48 109.652 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.66 151.7 40.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 2.08 109.582 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.41 7.04 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.72 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 6.3 ttt180 -82.64 -57.99 3.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -1.053 . . . . 2.64 109.417 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -42.91 87.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.22 109.268 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.77 97.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.335 -0.853 . . . . 2.74 109.337 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' HD1' HD12 ' D' ' 332' ' ' ILE . 34.6 t80 -54.75 -57.12 12.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.524 -0.735 . . . . 0.43 109.57 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.12 -30.66 16.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 1.69 109.668 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.59 -51.0 67.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.149 -0.969 . . . . 0.43 109.681 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.556 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.39 -50.46 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.27 109.202 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.477 ' NH1' ' HG2' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -51.05 -36.38 39.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.443 -0.786 . . . . 2.45 109.308 179.495 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.3 -49.47 77.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 1.75 109.718 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' C' ' 344' ' ' LEU . 59.8 mt -61.21 -33.84 74.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.262 -0.899 . . . . 0.31 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.529 ' HB2' HD21 ' B' ' 330' ' ' LEU . 17.3 t-20 -58.85 -55.23 37.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.539 -0.726 . . . . 1.22 109.367 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.86 -27.4 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 1.73 109.83 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.02 -57.45 12.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.28 110.116 -179.475 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.73 -40.89 94.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.31 109.659 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 18.9 mt-10 -59.34 -36.42 75.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.14 -0.975 . . . . 1.91 109.548 179.833 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' C' ' 354' ' ' GLN . 11.2 tp -64.99 -40.15 94.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.315 -0.866 . . . . 0.43 109.335 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.77 70.94 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.442 -0.786 . . . . 1.57 109.08 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.742 -0.599 . . . . 1.44 109.69 179.819 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.67 89.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 0.64 109.822 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.15 -0.969 . . . . 1.21 109.689 -179.827 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.508 -0.553 . . . . 1.7 109.508 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 11.9 m-85 -94.51 155.89 16.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.61 109.509 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.5 m-85 -140.11 -170.39 2.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.58 109.679 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.0 p -153.89 155.45 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.42 109.388 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -148.98 131.94 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.36 109.445 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.5 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.337 -0.852 . . . . 1.37 109.196 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.0 mt -123.99 116.76 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.47 109.695 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.04 148.68 41.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 2.1 109.612 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.11 8.19 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.704 -1.359 . . . . 0.42 109.704 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.0 ttt-85 -77.63 -56.06 4.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.35 -1.088 . . . . 2.68 109.384 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.21 88.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 2.22 109.423 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.62 -45.42 92.0 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.312 -0.868 . . . . 2.77 109.686 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.57 ' HD1' HD12 ' A' ' 332' ' ' ILE . 33.6 t80 -54.5 -57.42 11.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.347 -0.845 . . . . 0.43 109.429 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.31 -36.71 43.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 1.66 109.96 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.91 -47.59 82.61 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.271 -0.893 . . . . 0.44 110.1 -179.449 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -61.79 -53.93 49.3 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.272 -0.892 . . . . 0.29 109.257 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.3 -37.52 36.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.4 -0.813 . . . . 2.44 109.536 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.74 -45.17 95.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 1.74 109.693 -179.755 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.46 -43.76 98.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.3 109.377 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' C' ' 330' ' ' LEU . 42.4 t-20 -57.26 -46.88 82.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.299 -0.876 . . . . 1.22 109.697 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.0 -35.96 80.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.72 109.736 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.06 -50.01 75.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.263 -0.898 . . . . 0.27 110.129 -179.559 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.97 -42.31 98.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.29 109.674 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.99 -39.47 85.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 1.91 109.906 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 1.003 HD11 ' NE2' ' B' ' 354' ' ' GLN . 13.3 tp -63.74 -44.47 93.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.41 109.677 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -61.37 -39.28 90.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 1.56 109.137 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.61 -37.08 70.18 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.53 -0.731 . . . . 1.43 109.877 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.75 87.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.855 . . . . 0.66 109.386 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.974 ' NE2' HD11 ' B' ' 350' ' ' LEU . 21.5 mt-30 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.18 109.559 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.549 -0.537 . . . . 1.61 109.549 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.43 155.89 16.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.57 109.513 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 64.3 m-85 -140.22 -170.57 3.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.53 109.659 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 38.9 p -153.81 155.49 35.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.38 109.398 -179.833 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -148.93 131.82 16.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.286 -0.884 . . . . 0.36 109.451 -179.741 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.65 33.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 1.36 109.185 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.603 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.8 mt -123.98 116.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.182 -0.949 . . . . 0.49 109.608 -179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -74.21 148.84 41.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.348 -0.845 . . . . 2.1 109.584 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.21 136.98 8.06 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.834 -1.306 . . . . 0.44 109.834 179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.0 ttt-85 -77.54 -56.07 4.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -1.129 . . . . 2.72 109.418 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.97 88.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.869 . . . . 2.21 109.481 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.244 -0.91 . . . . 2.79 109.702 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.567 ' HD1' HD12 ' B' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.39 11.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.45 109.449 -179.891 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -51.3 -36.68 43.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.68 109.975 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.178 -0.951 . . . . 0.43 110.092 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.5 m-85 -61.8 -53.84 50.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 0.28 109.264 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.34 -37.49 37.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.358 -0.839 . . . . 2.52 109.611 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.59 -45.28 94.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 1.75 109.704 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.31 109.433 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' D' ' 330' ' ' LEU . 42.4 t-20 -57.31 -46.94 82.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.21 109.605 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.85 -36.1 80.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.69 109.714 -179.859 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.02 -50.1 75.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.378 -0.826 . . . . 0.27 110.12 -179.525 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.93 -42.25 97.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.3 109.724 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.91 -39.66 86.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.93 109.767 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.974 HD11 ' NE2' ' A' ' 354' ' ' GLN . 13.3 tp -63.69 -44.48 93.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.4 109.673 -179.676 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.42 -39.15 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.426 -0.796 . . . . 1.59 109.106 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.67 -37.13 70.41 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.571 -0.706 . . . . 1.43 109.782 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.81 87.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.65 109.405 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 1.003 ' NE2' HD11 ' A' ' 350' ' ' LEU . 21.5 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.35 -0.844 . . . . 1.19 109.566 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.292 0.568 . . . . 2.11 109.479 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.52 155.92 16.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.64 109.577 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.4 m-85 -140.2 -170.53 2.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.958 . . . . 0.49 109.646 -179.895 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 38.5 p -153.82 155.44 35.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.47 109.367 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -148.9 131.89 16.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.42 109.494 -179.809 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.71 33.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -0.882 . . . . 1.81 109.134 179.809 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.611 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.4 mt -124.02 116.73 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.42 109.742 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.06 148.65 41.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 2.35 109.572 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.07 8.17 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.716 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt-85 -77.59 -56.23 4.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.26 -1.141 . . . . 2.59 109.365 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.09 87.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 2.54 109.472 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.84 -45.3 92.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.393 -0.817 . . . . 3.39 109.631 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.557 ' HD1' HD12 ' C' ' 332' ' ' ILE . 33.7 t80 -54.55 -57.43 11.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.47 109.474 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.16 -36.74 42.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.66 109.99 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.97 -47.58 82.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.252 -0.905 . . . . 0.61 110.033 -179.341 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.611 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.4 m-85 -61.94 -53.82 50.41 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.187 -0.945 . . . . 0.33 109.248 -179.865 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -50.3 -37.49 36.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.314 -0.866 . . . . 3.28 109.587 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.73 -45.13 95.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.107 -0.995 . . . . 1.78 109.696 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.68 -43.53 98.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.38 109.351 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 330' ' ' LEU . 42.5 t-20 -57.35 -46.93 82.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 1.2 109.573 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -36.12 80.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.354 -0.841 . . . . 2.12 109.803 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.99 -50.07 75.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.26 110.128 -179.571 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.9 -42.34 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.4 109.652 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.92 -39.6 86.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.29 -0.881 . . . . 2.09 109.841 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.944 HD11 ' NE2' ' D' ' 354' ' ' GLN . 13.3 tp -63.66 -44.49 93.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.75 109.714 -179.715 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.38 -39.17 89.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.362 -0.837 . . . . 2.19 109.177 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.66 -37.05 70.28 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.546 -0.721 . . . . 1.34 109.864 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.86 87.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.72 109.479 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.916 ' NE2' HD11 ' D' ' 350' ' ' LEU . 21.7 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.331 -0.856 . . . . 1.8 109.597 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.438 -0.578 . . . . 1.67 109.438 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 11.8 m-85 -94.57 155.96 16.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.61 109.501 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.6 m-85 -140.23 -170.51 2.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -0.945 . . . . 0.56 109.637 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.0 p -153.81 155.41 35.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 0.43 109.369 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -148.92 131.9 16.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.35 109.484 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 31.7 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 1.37 109.13 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.3 mt -123.98 116.72 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.48 109.709 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -74.0 148.76 41.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.347 -0.846 . . . . 2.08 109.564 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.33 136.96 8.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.76 -1.336 . . . . 0.4 109.76 179.668 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 2.0 ttt-85 -77.54 -56.12 4.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.228 -1.16 . . . . 2.64 109.412 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -43.04 88.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.35 -0.844 . . . . 2.22 109.42 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.71 -45.43 92.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.3 -0.875 . . . . 2.74 109.687 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.37 11.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.43 109.486 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.22 -36.83 43.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.317 -0.865 . . . . 1.69 109.95 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.8 -47.7 82.32 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.43 110.104 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.617 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -61.74 -53.91 49.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.27 109.178 -179.866 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.39 -37.45 37.65 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.433 -0.792 . . . . 2.45 109.546 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.64 -45.25 94.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.22 -0.925 . . . . 1.75 109.632 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.63 -43.54 98.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.167 -0.958 . . . . 0.31 109.42 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.4 ' HB2' HD21 ' B' ' 330' ' ' LEU . 42.3 t-20 -57.3 -46.96 82.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.22 109.668 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.86 -36.02 79.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 1.73 109.813 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.06 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 0.28 110.112 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.92 -42.42 98.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.31 109.676 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -59.94 -39.57 85.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 1.91 109.85 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.916 HD11 ' NE2' ' C' ' 354' ' ' GLN . 13.3 tp -63.6 -44.49 93.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.43 109.712 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.47 -39.2 90.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.339 -0.851 . . . . 1.57 109.096 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.58 -37.12 70.17 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.471 -0.768 . . . . 1.44 109.866 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.82 87.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.64 109.342 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.944 ' NE2' HD11 ' C' ' 350' ' ' LEU . 21.7 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.347 -0.846 . . . . 1.21 109.637 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.369 0.604 . . . . 1.7 109.622 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.4 m-85 -93.55 155.37 17.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.61 109.401 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.0 m-85 -139.26 -170.13 2.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.58 109.572 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.5 p -153.52 160.72 42.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.271 -0.893 . . . . 0.42 109.561 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -149.12 133.18 17.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.272 -0.893 . . . . 0.36 109.432 -179.79 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -85.88 130.87 34.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.253 -0.905 . . . . 1.37 109.647 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 341' ' ' PHE . 58.6 mt -123.93 120.44 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.47 109.488 179.77 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.57 152.95 40.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 2.1 109.525 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.14 137.02 3.86 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.802 -1.319 . . . . 0.42 109.802 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttp180 -82.98 -52.07 7.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -1.118 . . . . 2.68 109.407 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.13 -46.75 85.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 2.22 109.241 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.67 -40.06 90.7 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.327 -0.858 . . . . 2.77 109.325 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' C' ' 329' ' ' THR . 55.8 t80 -55.38 -54.95 37.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.395 -0.815 . . . . 0.43 109.658 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.4 -36.02 30.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.331 -0.856 . . . . 1.66 109.971 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -62.7 -47.86 81.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.158 -0.964 . . . . 0.44 109.928 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.359 -0.838 . . . . 0.29 109.306 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.34 -36.75 44.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.875 . . . . 2.44 109.639 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.17 -50.01 75.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.045 -1.034 . . . . 1.74 109.712 -179.687 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' B' ' 344' ' ' LEU . 55.6 mt -61.07 -34.22 74.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.3 108.849 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.595 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.9 t-20 -59.24 -55.09 39.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.441 -0.787 . . . . 1.22 109.559 179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.13 -28.24 69.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.785 . . . . 1.72 109.807 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.77 -52.53 65.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.136 -0.978 . . . . 0.27 110.1 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.09 -41.23 96.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.249 -0.907 . . . . 0.29 109.639 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.44 -36.94 76.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 1.91 109.538 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.62 HD23 HD23 ' B' ' 350' ' ' LEU . 4.8 tp -64.35 -45.08 89.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.284 -0.885 . . . . 0.41 109.718 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.8 -38.86 89.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.247 -0.908 . . . . 1.56 109.136 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.1 -34.41 65.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 1.43 109.621 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.68 70.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.347 -0.846 . . . . 0.66 109.589 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.604 HE21 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.18 109.783 -179.876 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.294 0.569 . . . . 1.61 109.632 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.7 m-85 -93.54 155.4 17.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 0.57 109.337 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -139.24 -170.03 2.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.53 109.579 -179.897 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.483 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.5 p -153.59 160.63 42.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.144 -0.973 . . . . 0.38 109.546 -179.823 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -149.11 133.21 17.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.36 109.408 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 36.3 tt0 -85.9 131.05 34.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 1.36 109.64 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.449 HD13 ' HB2' ' B' ' 341' ' ' PHE . 59.0 mt -124.02 120.46 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.211 -0.931 . . . . 0.49 109.451 179.774 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.66 152.86 40.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.249 -0.907 . . . . 2.1 109.526 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.28 136.95 3.92 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.81 -1.316 . . . . 0.44 109.81 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 18.2 ttp180 -82.96 -52.16 6.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.343 -1.092 . . . . 2.72 109.384 179.852 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.93 -46.94 84.25 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 2.21 109.205 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.52 -40.23 90.71 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.339 -0.851 . . . . 2.79 109.341 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' D' ' 329' ' ' THR . 55.9 t80 -55.29 -54.93 37.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.45 109.721 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.42 -36.03 31.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.813 . . . . 1.68 109.91 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.58 -47.9 81.79 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.122 -0.986 . . . . 0.43 109.977 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.449 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.9 m-85 -61.3 -51.31 69.41 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.159 -0.963 . . . . 0.28 109.254 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.44 -36.76 45.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 2.52 109.599 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.13 -49.97 75.53 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.942 . . . . 1.75 109.752 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 344' ' ' LEU . 55.5 mt -60.99 -34.33 74.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.31 108.919 179.743 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.9 t-20 -59.16 -55.16 38.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.427 -0.795 . . . . 1.21 109.519 179.644 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.09 -28.2 69.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 1.69 109.821 -179.716 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.87 -52.47 65.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.27 110.053 -179.651 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.13 -41.14 96.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.84 . . . . 0.3 109.676 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.4 -37.01 76.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.898 . . . . 1.93 109.554 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.62 HD23 HD23 ' A' ' 350' ' ' LEU . 4.8 tp -64.31 -45.08 89.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.429 -0.794 . . . . 0.4 109.78 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.72 -38.9 89.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.333 -0.854 . . . . 1.59 109.178 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.08 -34.49 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.461 -0.775 . . . . 1.43 109.572 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -47.69 70.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.65 109.533 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.503 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 1.19 109.795 -179.874 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.322 0.582 . . . . 2.11 109.557 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.4 m-85 -93.61 155.39 17.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.282 -0.887 . . . . 0.64 109.34 179.897 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.3 m-85 -139.23 -170.04 2.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.159 -0.963 . . . . 0.49 109.632 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.8 p -153.56 160.69 42.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.47 109.586 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -149.12 133.16 17.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.42 109.448 -179.748 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -86.01 130.92 34.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.81 109.624 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' C' ' 341' ' ' PHE . 58.2 mt -123.9 120.34 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.42 109.533 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.92 40.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.176 -0.953 . . . . 2.35 109.589 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 136.99 3.84 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.857 -1.297 . . . . 0.41 109.857 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.0 ttp180 -83.0 -51.98 7.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -1.118 . . . . 2.59 109.49 179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.0 -46.78 84.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 2.54 109.324 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.74 -40.13 91.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.327 -0.858 . . . . 3.39 109.338 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 55.9 t80 -55.37 -54.88 38.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.406 -0.808 . . . . 0.47 109.746 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -35.98 30.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.298 -0.876 . . . . 1.66 109.992 -179.717 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.64 -47.82 82.03 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.14 -0.975 . . . . 0.61 109.982 -179.618 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.444 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.38 -51.17 69.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.33 109.301 -179.895 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.5 -36.73 45.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 3.28 109.696 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 1.78 109.734 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' D' ' 344' ' ' LEU . 55.4 mt -60.96 -34.39 74.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.38 108.846 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.575 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.9 t-20 -59.19 -55.08 39.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.432 -0.793 . . . . 1.2 109.521 179.707 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.13 -28.22 69.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 2.12 109.828 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -52.41 65.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.26 110.095 -179.637 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.06 -41.33 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.4 109.645 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.27 -37.06 76.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 2.09 109.53 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.728 HD23 HD23 ' D' ' 350' ' ' LEU . 4.8 tp -64.28 -45.03 89.83 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.343 -0.848 . . . . 0.75 109.769 -179.839 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.78 -38.85 89.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 2.19 109.166 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.1 -34.39 65.97 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.463 -0.773 . . . . 1.34 109.622 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -47.76 69.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.308 -0.87 . . . . 0.72 109.56 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.625 HE21 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 1.8 109.706 -179.819 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.33 0.586 . . . . 1.67 109.581 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 13.2 m-85 -93.69 155.44 17.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.61 109.3 179.858 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 67.0 m-85 -139.29 -170.12 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.018 . . . . 0.56 109.554 -179.747 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.6 p -153.42 160.78 42.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.43 109.618 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -149.22 133.17 17.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.35 109.393 -179.816 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.96 130.98 34.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.311 -0.868 . . . . 1.37 109.666 -179.798 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 58.4 mt -123.99 120.46 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.925 . . . . 0.48 109.472 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.91 40.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.215 -0.928 . . . . 2.08 109.601 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.17 137.0 3.87 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 18.1 ttp180 -83.01 -52.16 6.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.345 -1.091 . . . . 2.64 109.315 179.871 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.89 -46.98 84.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 2.22 109.313 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.51 -40.1 90.18 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.409 -0.807 . . . . 2.74 109.462 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.0 t80 -55.33 -54.97 36.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.43 109.731 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -36.06 30.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 1.69 109.91 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.56 -48.03 81.26 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.193 -0.942 . . . . 0.43 109.816 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.23 -51.28 69.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.27 109.31 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.44 -36.66 44.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 2.45 109.736 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.12 -50.1 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 1.75 109.729 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' C' ' 344' ' ' LEU . 55.4 mt -60.89 -34.34 74.5 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.205 -0.935 . . . . 0.31 108.905 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.0 t-20 -59.22 -55.18 38.15 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.382 -0.824 . . . . 1.22 109.51 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.95 -28.3 69.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.482 -0.761 . . . . 1.73 109.909 -179.795 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -52.49 65.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.103 -0.998 . . . . 0.28 110.068 -179.592 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.08 -41.22 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.31 109.706 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -37.03 76.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.91 109.454 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.728 HD23 HD23 ' C' ' 350' ' ' LEU . 4.8 tp -64.33 -45.13 89.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.21 -0.932 . . . . 0.43 109.657 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.66 -38.98 89.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 1.57 109.223 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.04 -34.51 65.96 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.414 -0.804 . . . . 1.44 109.545 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.77 70.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.64 109.607 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.446 ' OE1' HD21 ' C' ' 350' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 1.21 109.67 -179.808 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.423 -0.584 . . . . 1.7 109.423 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -93.11 156.93 16.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.61 109.582 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.2 m-85 -138.89 -169.08 2.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.58 109.574 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.31 158.24 41.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.42 109.368 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.9 tp -148.67 134.83 19.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.36 109.51 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -86.66 129.47 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.348 -0.845 . . . . 1.37 109.514 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 338' ' ' PHE . 34.5 mt -123.97 115.32 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.47 109.611 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 149.25 41.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 2.1 109.468 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.13 137.76 6.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 10.7 ttm180 -83.91 -51.54 7.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -1.198 . . . . 2.68 109.475 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.63 -46.24 87.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 2.22 109.654 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.51 -42.21 95.94 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.331 -0.855 . . . . 2.77 109.529 -179.718 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.2 t80 -55.56 -52.82 62.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.43 109.773 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.19 -37.06 44.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.252 -0.905 . . . . 1.66 110.174 -179.537 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.83 -48.2 80.1 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.127 -0.983 . . . . 0.44 110.026 -179.289 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.93 -49.0 79.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.29 109.345 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.49 -40.84 60.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 2.44 109.7 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 1.74 109.87 -179.833 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' B' ' 344' ' ' LEU . 65.5 mt -62.77 -46.31 88.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.269 -0.894 . . . . 0.3 109.577 -179.726 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -57.97 -46.94 84.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.339 -0.85 . . . . 1.22 109.648 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -34.37 76.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.72 109.827 -179.619 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -53.43 57.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.27 109.856 -179.667 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.01 -40.33 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.29 109.513 -179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.11 -35.98 76.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -0.851 . . . . 1.91 109.474 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.36 -44.01 92.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 0.41 109.279 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 3.4 ttmm -61.41 -43.32 99.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 1.56 108.863 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.15 -30.24 64.27 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 1.43 109.388 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.28 -46.09 81.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.388 -0.82 . . . . 0.66 109.278 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.396 179.678 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.387 -0.597 . . . . 1.61 109.387 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.24 156.98 16.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.908 . . . . 0.57 109.552 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.9 m-85 -138.95 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.53 109.475 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.3 p -153.32 158.25 41.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.38 109.401 -179.838 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.61 134.81 19.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.36 109.571 -179.662 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.73 129.34 34.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 1.36 109.476 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' B' ' 338' ' ' PHE . 34.4 mt -123.87 115.49 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.49 109.672 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 149.36 41.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 2.1 109.468 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.03 137.83 6.89 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.78 -1.328 . . . . 0.44 109.78 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 10.7 ttm180 -83.95 -51.39 7.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -1.148 . . . . 2.72 109.516 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.86 -46.11 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.21 109.575 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.57 -42.12 95.99 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.253 -0.904 . . . . 2.79 109.564 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' B' ' 332' ' ' ILE . 76.5 t80 -55.55 -52.94 62.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.45 109.758 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.15 -37.09 44.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.68 110.166 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.81 -48.09 80.6 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.153 -0.967 . . . . 0.43 110.122 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -49.09 78.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.28 109.313 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.37 -40.98 60.3 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.312 -0.868 . . . . 2.52 109.667 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.41 -41.34 97.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.149 -0.969 . . . . 1.75 109.855 -179.756 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 344' ' ' LEU . 65.6 mt -62.74 -46.42 88.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.31 109.566 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -57.99 -46.74 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.385 -0.822 . . . . 1.21 109.77 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -34.31 76.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 1.69 109.803 -179.652 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.71 -53.42 57.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.27 109.837 -179.704 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.04 -40.35 93.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.3 109.571 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.06 -36.0 76.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.93 109.48 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.27 -44.12 92.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.295 -0.878 . . . . 0.4 109.266 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.32 99.06 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.41 -0.806 . . . . 1.59 108.97 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.23 -30.15 64.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.574 -0.704 . . . . 1.43 109.381 179.515 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.97 81.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.42 -0.8 . . . . 0.65 109.344 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 1.19 109.476 179.556 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.385 -0.598 . . . . 2.11 109.385 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.28 156.91 16.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.109 -0.994 . . . . 0.64 109.507 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.0 m-85 -138.84 -169.18 2.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 0.49 109.444 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -153.2 158.4 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.47 109.399 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.8 134.84 19.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.42 109.573 -179.762 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.4 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.356 -0.84 . . . . 1.81 109.454 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' C' ' 338' ' ' PHE . 34.7 mt -123.95 115.45 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.184 -0.948 . . . . 0.42 109.576 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 149.27 41.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 2.35 109.497 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.08 137.8 6.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 10.7 ttm180 -83.94 -51.44 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -1.119 . . . . 2.59 109.489 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.8 -46.21 88.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.865 . . . . 2.54 109.591 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.46 -42.17 95.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.284 -0.885 . . . . 3.39 109.632 -179.812 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.8 t80 -55.56 -52.9 62.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.372 -0.83 . . . . 0.47 109.765 -179.914 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.08 -37.18 44.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.88 . . . . 1.66 110.123 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.91 -48.01 80.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.098 -1.001 . . . . 0.61 110.118 -179.198 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.04 -48.87 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.115 -0.99 . . . . 0.33 109.412 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.43 -40.89 60.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 3.28 109.645 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.53 -41.29 97.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.186 -0.946 . . . . 1.78 109.841 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' D' ' 344' ' ' LEU . 65.6 mt -62.73 -46.34 88.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.38 109.562 -179.79 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -58.03 -46.86 84.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 1.2 109.762 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -34.57 76.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 2.12 109.885 -179.739 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.5 -53.5 56.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.301 -0.874 . . . . 0.26 109.916 -179.72 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.03 -40.37 93.32 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.306 -0.871 . . . . 0.4 109.543 -179.676 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.04 -36.05 76.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 2.09 109.412 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.31 -44.02 92.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.358 -0.839 . . . . 0.75 109.358 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.35 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.399 -0.813 . . . . 2.19 108.951 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.08 -30.36 64.25 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.624 -0.673 . . . . 1.34 109.388 179.462 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.99 82.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.483 -0.761 . . . . 0.72 109.432 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.23 -0.919 . . . . 1.8 109.369 179.672 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.414 -0.587 . . . . 1.67 109.414 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -93.07 157.05 16.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 0.61 109.536 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.0 m-85 -138.89 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.56 109.58 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.26 158.32 41.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.43 109.464 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.71 134.82 19.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.35 109.557 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.67 129.31 34.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.366 -0.834 . . . . 1.37 109.452 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' D' ' 338' ' ' PHE . 34.8 mt -123.92 115.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.48 109.634 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 149.25 41.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 2.08 109.509 179.784 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.16 137.79 6.95 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.717 -1.353 . . . . 0.4 109.717 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 10.7 ttm180 -83.92 -51.51 7.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 2.64 109.418 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.87 -46.05 88.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 2.22 109.502 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.6 -42.17 96.25 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.233 -0.917 . . . . 2.74 109.515 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.461 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.7 t80 -55.57 -52.8 62.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.449 -0.782 . . . . 0.43 109.799 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.13 -37.22 44.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 1.69 110.096 -179.509 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.79 -48.11 80.53 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.133 -0.98 . . . . 0.43 110.062 -179.225 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.13 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.27 109.276 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -51.54 -40.88 60.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.312 -0.868 . . . . 2.45 109.582 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -41.27 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 1.75 109.807 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -62.68 -46.48 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.135 -0.978 . . . . 0.31 109.552 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.03 -46.81 84.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.851 . . . . 1.22 109.705 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -34.33 76.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.73 109.941 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -53.34 58.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 0.28 109.875 -179.665 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.16 -40.28 93.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.866 . . . . 0.31 109.473 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.09 -36.03 76.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.87 . . . . 1.91 109.36 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.714 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.32 -44.02 92.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.43 109.296 -179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.38 98.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.346 -0.846 . . . . 1.57 108.942 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.07 -30.31 64.18 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.577 -0.702 . . . . 1.44 109.42 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.94 82.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.379 -0.825 . . . . 0.64 109.371 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.21 109.384 179.579 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.165 -0.68 . . . . 1.7 109.165 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -92.05 155.06 18.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.977 . . . . 0.61 109.657 -179.675 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.5 m-85 -139.62 -168.97 2.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.389 -0.819 . . . . 0.58 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -152.87 160.16 43.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.138 -0.976 . . . . 0.42 109.527 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.2 tp -148.92 133.13 17.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.36 109.59 -179.816 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 16.1 tt0 -85.62 129.86 34.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.37 109.27 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.0 mt -123.34 110.9 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.47 109.593 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 145.15 46.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 2.1 109.383 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.33 8.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.61 -1.396 . . . . 0.42 109.61 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.8 OUTLIER -78.27 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 2.68 109.4 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.25 -40.14 81.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.22 109.571 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.25 -44.88 96.53 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.365 -0.835 . . . . 2.77 109.674 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CD1' HD12 ' A' ' 332' ' ' ILE . 48.5 t80 -54.87 -53.27 57.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 0.43 109.545 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -50.93 -34.27 27.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.318 -0.864 . . . . 1.66 109.793 -179.78 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 10.6 ttp -62.91 -49.01 76.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.118 -0.989 . . . . 0.44 109.885 -179.592 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -61.09 -53.42 57.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.151 -0.968 . . . . 0.29 109.234 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -51.01 -34.64 30.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.44 109.55 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 340' ' ' MET . 0.9 OUTLIER -60.01 -50.28 74.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 1.74 109.528 -179.857 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' B' ' 344' ' ' LEU . 49.0 mt -60.99 -34.2 74.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.3 108.855 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.735 . . . . 1.22 109.492 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.9 -31.3 72.33 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 1.72 109.872 -179.7 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.4 -56.71 17.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.318 -0.864 . . . . 0.27 110.045 -179.814 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.84 -41.64 96.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.29 109.696 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.85 -35.2 74.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.233 -0.917 . . . . 1.91 109.483 179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.9 -42.89 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 0.41 109.422 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 31.3 ttmt -61.16 -44.32 97.49 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.704 -0.85 . . . . 1.56 108.704 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.42 -32.79 67.23 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.579 -0.7 . . . . 1.43 109.457 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.54 75.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.66 109.56 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.403 HE22 HE22 ' B' ' 354' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 O-C-N 121.229 -0.919 . . . . 1.18 109.384 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.166 -0.679 . . . . 1.61 109.166 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -92.1 154.95 18.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.57 109.671 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.7 m-85 -139.63 -168.98 2.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.353 -0.842 . . . . 0.53 109.348 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.4 p -152.8 160.25 43.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.169 -0.957 . . . . 0.38 109.537 -179.856 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.0 133.17 17.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.36 109.544 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.56 129.84 34.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.261 -0.9 . . . . 1.36 109.311 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.522 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.1 mt -123.48 110.83 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.169 -0.957 . . . . 0.49 109.607 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 145.04 46.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.1 109.375 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.3 8.43 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.636 -1.386 . . . . 0.44 109.636 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.579 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.8 OUTLIER -78.21 -61.56 1.96 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -1.078 . . . . 2.72 109.48 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.22 -40.37 81.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 2.21 109.547 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.06 -44.89 96.7 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.249 -0.907 . . . . 2.79 109.692 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CD1' HD12 ' B' ' 332' ' ' ILE . 48.9 t80 -54.84 -53.17 58.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.45 109.687 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.96 -34.35 28.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 1.68 109.777 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 10.6 ttp -62.83 -49.1 76.22 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.183 -0.948 . . . . 0.43 109.905 -179.61 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.4 m-85 -60.92 -53.51 56.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.28 109.25 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.6 30.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 2.52 109.451 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' B' ' 340' ' ' MET . 0.9 OUTLIER -59.99 -50.28 74.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 1.75 109.532 -179.895 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' A' ' 344' ' ' LEU . 48.9 mt -60.92 -34.34 74.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.31 108.878 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.9 -53.28 60.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.458 -0.776 . . . . 1.21 109.479 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.0 -31.04 72.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 1.69 109.87 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.71 -56.69 17.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.193 -0.942 . . . . 0.27 109.928 -179.741 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.8 -41.7 96.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.3 109.59 -179.62 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.84 -35.19 74.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.192 -0.943 . . . . 1.93 109.426 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 19.2 tp -65.97 -42.89 89.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.304 -0.873 . . . . 0.4 109.378 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.1 -44.3 97.56 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.791 -0.818 . . . . 1.59 108.791 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.51 -32.71 67.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.53 -0.731 . . . . 1.43 109.406 179.569 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.38 75.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.369 -0.832 . . . . 0.65 109.674 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.403 HE22 HE22 ' A' ' 354' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.223 -0.923 . . . . 1.19 109.335 179.877 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.047 -0.723 . . . . 2.11 109.047 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -92.04 154.93 18.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.98 . . . . 0.64 109.666 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 86.4 m-85 -139.64 -168.98 2.6 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.306 -0.871 . . . . 0.49 109.401 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 40.6 p -152.84 160.05 43.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.47 109.472 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.2 tp -148.73 133.21 17.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 0.42 109.592 -179.866 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 16.0 tt0 -85.63 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 1.81 109.265 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.3 mt -123.36 110.92 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.42 109.623 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 145.17 46.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 2.35 109.305 179.813 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.43 134.33 8.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.8 OUTLIER -78.19 -61.5 1.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -1.165 . . . . 2.59 109.516 179.899 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.5 -40.13 81.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 2.54 109.439 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.2 -44.88 96.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 3.39 109.614 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 48.8 t80 -54.86 -53.26 57.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.398 -0.814 . . . . 0.47 109.582 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -50.94 -34.29 28.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.358 -0.839 . . . . 1.66 109.746 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 10.5 ttp -62.89 -49.09 76.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.215 -0.928 . . . . 0.61 109.876 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.0 -53.43 57.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.89 . . . . 0.33 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.62 30.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.351 -0.843 . . . . 3.28 109.474 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -59.98 -50.23 74.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.78 109.616 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' D' ' 344' ' ' LEU . 49.8 mt -60.99 -34.18 74.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.16 -0.963 . . . . 0.38 108.937 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 1.2 109.521 179.564 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.94 -31.1 72.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.372 -0.83 . . . . 2.12 109.812 -179.733 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.58 -56.88 15.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 0.26 109.935 -179.712 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.69 -41.68 95.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.4 109.696 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.82 -35.21 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -0.938 . . . . 2.09 109.514 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 19.2 tp -65.93 -42.88 89.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.324 -0.86 . . . . 0.75 109.41 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.14 -44.29 97.55 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.412 -0.805 . . . . 2.19 108.835 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.36 -32.88 67.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.612 -0.68 . . . . 1.34 109.48 179.415 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.47 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.72 109.647 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.175 -0.953 . . . . 1.8 109.252 179.924 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.098 -0.705 . . . . 1.67 109.098 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.19 154.97 18.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.61 109.659 -179.671 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.8 m-85 -139.58 -168.98 2.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.56 109.322 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.423 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.5 p -152.88 160.17 43.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.43 109.507 -179.87 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.96 133.12 17.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.395 -0.816 . . . . 0.35 109.54 -179.779 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.54 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 1.37 109.192 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.0 mt -123.43 110.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.48 109.561 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 144.99 46.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.354 -0.841 . . . . 2.08 109.392 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.49 134.37 8.45 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.574 -1.41 . . . . 0.4 109.574 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -78.24 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -1.111 . . . . 2.64 109.474 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -58.29 -40.44 81.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.367 -0.833 . . . . 2.22 109.468 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.0 -44.81 96.87 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.288 -0.882 . . . . 2.74 109.638 -179.812 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' D' ' 332' ' ' ILE . 48.6 t80 -54.92 -53.26 57.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.43 109.578 -179.826 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.87 -34.4 27.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 1.69 109.742 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 10.7 ttp -62.86 -48.91 77.0 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.251 -0.906 . . . . 0.43 109.941 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.13 -53.46 56.72 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.889 . . . . 0.27 109.212 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.02 -34.53 29.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 2.45 109.532 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 343' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' D' ' 340' ' ' MET . 0.9 OUTLIER -60.14 -50.32 74.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.75 109.517 -179.908 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -60.75 -34.37 74.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.31 108.894 179.737 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.07 -53.18 61.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.375 -0.828 . . . . 1.22 109.469 179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.89 -31.26 72.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 1.73 109.76 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.55 -56.79 16.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.109 -0.995 . . . . 0.28 109.955 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.67 -41.76 95.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.422 -0.799 . . . . 0.31 109.676 -179.68 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.75 -35.27 74.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -0.927 . . . . 1.91 109.467 179.873 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.441 HD21 ' NE2' ' C' ' 354' ' ' GLN . 19.1 tp -65.95 -42.89 89.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.329 -0.857 . . . . 0.43 109.372 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.441 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 31.4 ttmt -61.15 -44.28 97.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.756 -0.831 . . . . 1.57 108.756 179.816 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.44 -32.78 67.26 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.621 -0.674 . . . . 1.44 109.456 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.6 76.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 0.64 109.606 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 1.21 109.338 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.277 0.561 . . . . 1.7 109.497 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -93.26 155.81 17.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.61 109.336 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.8 m-85 -138.58 -169.68 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.58 109.631 -179.839 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.3 p -154.16 156.98 38.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.42 109.377 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -146.94 129.37 15.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.36 109.437 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 15.2 tt0 -86.41 135.36 33.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.83 . . . . 1.37 110.082 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.7 mt -123.56 119.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.393 -0.817 . . . . 0.47 109.263 179.526 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 146.49 45.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.211 -0.931 . . . . 2.1 109.731 -179.687 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 142.95 9.82 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.903 -1.279 . . . . 0.42 109.903 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.1 ttm180 -79.65 -51.18 9.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -1.054 . . . . 2.68 109.285 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.29 -41.03 83.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 2.22 109.334 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -45.19 85.91 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.259 -0.901 . . . . 2.77 109.678 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.56 ' HD1' HD12 ' A' ' 332' ' ' ILE . 47.0 t80 -55.87 -55.01 37.59 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.405 -0.809 . . . . 0.43 109.63 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.45 -38.13 41.84 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.252 -0.905 . . . . 1.66 110.103 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -63.88 -51.22 65.55 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.101 -0.999 . . . . 0.44 110.519 -179.276 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.1 m-85 -60.93 -55.32 34.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.06 -1.025 . . . . 0.29 109.467 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.46 -34.48 16.92 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.413 -0.805 . . . . 2.44 109.61 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.55 -49.9 75.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.103 -0.998 . . . . 1.74 109.375 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 344' ' ' LEU . 96.7 mt -61.87 -34.53 76.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.299 -0.875 . . . . 0.3 108.929 179.736 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.6 t-20 -58.93 -52.84 64.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.321 -0.862 . . . . 1.22 109.423 179.714 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -31.38 72.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.875 . . . . 1.72 109.813 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.98 -58.77 7.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.27 109.964 -179.721 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.42 -40.06 89.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.29 109.501 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.16 -34.62 72.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.344 -0.847 . . . . 1.91 109.051 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' B' ' 354' ' ' GLN . 10.5 tp -65.38 -39.87 92.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.406 -0.809 . . . . 0.41 108.963 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -46.41 89.21 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.926 -0.768 . . . . 1.56 108.926 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.06 -31.01 62.8 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.54 -0.725 . . . . 1.43 109.445 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.37 91.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.66 109.635 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.599 ' OE1' HD21 ' B' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.18 109.583 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.457 -0.571 . . . . 1.61 109.457 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -93.23 155.77 17.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.341 -0.849 . . . . 0.57 109.312 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 91.4 m-85 -138.5 -169.65 2.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.53 109.67 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -154.09 156.97 38.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -0.935 . . . . 0.38 109.49 -179.87 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.4 tp -146.96 129.47 15.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.36 109.338 -179.869 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 15.0 tt0 -86.51 135.42 33.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 1.36 109.963 -179.568 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.72 119.57 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.847 . . . . 0.49 109.099 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 146.39 46.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.126 -0.984 . . . . 2.1 109.732 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.79 143.0 9.77 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.884 -1.286 . . . . 0.44 109.884 179.703 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.1 ttm180 -79.69 -51.09 9.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.374 -1.074 . . . . 2.72 109.286 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.32 -41.06 83.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -0.806 . . . . 2.21 109.311 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.454 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.65 -45.1 85.95 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.233 -0.917 . . . . 2.79 109.78 179.936 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' B' ' 332' ' ' ILE . 47.2 t80 -55.8 -55.01 37.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.45 109.74 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -50.42 -38.22 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.68 110.055 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.84 -51.29 65.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.159 -0.963 . . . . 0.43 110.521 -179.321 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.9 m-85 -60.89 -55.43 33.1 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.148 -0.97 . . . . 0.28 109.408 -179.579 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.45 -34.46 16.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.52 109.535 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.44 -49.92 75.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.986 . . . . 1.75 109.484 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 344' ' ' LEU . 96.8 mt -61.97 -34.41 76.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.31 108.874 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.6 t-20 -59.05 -52.74 64.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.821 . . . . 1.21 109.511 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -31.45 72.63 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.69 109.758 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.94 -58.75 7.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.28 -0.887 . . . . 0.27 109.99 -179.715 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.44 -40.17 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.3 109.396 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.05 -34.67 72.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.382 -0.824 . . . . 1.93 109.096 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.599 HD21 ' OE1' ' A' ' 354' ' ' GLN . 10.5 tp -65.32 -39.88 93.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.348 -0.845 . . . . 0.4 109.01 179.686 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -46.49 88.97 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.969 -0.752 . . . . 1.59 108.969 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.08 -30.86 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.513 -0.742 . . . . 1.43 109.512 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.26 90.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.65 109.597 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.581 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 1.19 109.583 179.892 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.311 0.577 . . . . 2.11 109.499 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.12 155.76 17.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.234 -0.916 . . . . 0.64 109.413 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -138.49 -169.61 2.64 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.49 109.636 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.559 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.5 p -154.22 156.96 38.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.249 -0.907 . . . . 0.47 109.441 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.2 tp -146.98 129.4 15.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.42 109.305 -179.788 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 15.0 tt0 -86.49 135.39 33.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 1.81 110.014 -179.537 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' C' ' 341' ' ' PHE . 46.7 mt -123.63 119.57 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.431 -0.793 . . . . 0.42 109.197 179.584 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.47 45.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 2.35 109.7 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.77 142.92 9.7 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.809 -1.316 . . . . 0.41 109.809 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.2 ttm180 -79.58 -51.12 9.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -1.068 . . . . 2.59 109.377 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.28 -41.01 83.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.352 -0.843 . . . . 2.54 109.36 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.459 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -45.15 86.01 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.326 -0.859 . . . . 3.39 109.72 179.906 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' C' ' 332' ' ' ILE . 47.4 t80 -55.87 -55.09 36.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.47 109.618 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.34 -38.21 40.83 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.166 -0.959 . . . . 1.66 110.105 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.85 -51.23 65.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.109 -0.994 . . . . 0.61 110.57 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.5 m-85 -60.77 -55.5 32.44 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.141 -0.974 . . . . 0.33 109.468 -179.656 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.41 -34.46 16.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.452 -0.78 . . . . 3.28 109.552 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.66 -49.77 76.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.129 -0.982 . . . . 1.78 109.446 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' D' ' 344' ' ' LEU . 96.7 mt -61.96 -34.41 76.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 0.38 108.949 179.68 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.01 -52.82 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.332 -0.855 . . . . 1.2 109.424 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -31.38 72.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.406 -0.809 . . . . 2.12 109.791 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.08 -58.61 7.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.94 . . . . 0.26 109.925 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.51 -40.22 90.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.4 109.368 -179.743 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.09 -34.68 72.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.261 -0.9 . . . . 2.09 109.06 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.603 HD21 ' OE1' ' D' ' 354' ' ' GLN . 10.5 tp -65.21 -39.96 93.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.75 109.055 179.655 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 0.8 OUTLIER -62.01 -46.56 88.68 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.95 -31.02 62.57 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.421 -0.8 . . . . 1.34 109.552 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.36 91.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.379 -0.826 . . . . 0.72 109.601 -179.802 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.224 -0.922 . . . . 1.8 109.432 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.485 -0.561 . . . . 1.67 109.485 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.23 155.72 17.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.326 -0.859 . . . . 0.61 109.407 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.7 m-85 -138.42 -169.69 2.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.212 -0.93 . . . . 0.56 109.649 -179.826 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.6 p -154.09 157.05 38.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.949 . . . . 0.43 109.475 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -147.03 129.41 15.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 0.35 109.22 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 15.0 tt0 -86.45 135.42 33.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.37 109.953 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.68 119.64 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.834 . . . . 0.48 109.146 179.525 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.41 46.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 2.08 109.745 -179.789 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.92 142.96 9.84 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.826 -1.31 . . . . 0.4 109.826 179.676 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.1 ttm180 -79.61 -51.19 9.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -1.11 . . . . 2.64 109.306 179.811 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.25 -41.08 83.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.87 . . . . 2.22 109.338 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.66 -45.17 85.9 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.168 -0.957 . . . . 2.74 109.689 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 47.1 t80 -55.82 -55.1 36.46 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.329 -0.857 . . . . 0.43 109.68 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.36 -38.14 40.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 1.69 110.075 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.88 -51.27 65.34 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.151 -0.968 . . . . 0.43 110.542 -179.319 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.582 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.3 m-85 -60.82 -55.47 32.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.126 -0.984 . . . . 0.27 109.45 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.4 -34.49 16.43 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.445 -0.785 . . . . 2.45 109.56 179.831 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.46 -49.93 75.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 1.75 109.458 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -61.94 -34.37 75.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.31 108.939 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.408 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.7 t-20 -59.02 -52.87 63.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.408 -0.807 . . . . 1.22 109.431 179.69 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.0 OUTLIER -63.73 -31.43 72.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 1.73 109.737 -179.9 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.06 -58.62 7.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.28 109.93 -179.615 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.48 -40.19 90.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 0.31 109.447 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.07 -34.66 72.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.895 . . . . 1.91 109.076 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' C' ' 354' ' ' GLN . 10.4 tp -65.27 -39.95 93.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.43 109.035 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -46.46 89.06 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.922 -0.77 . . . . 1.57 108.922 179.721 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.04 -30.89 62.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.585 -0.697 . . . . 1.44 109.589 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.39 90.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.348 -0.845 . . . . 0.64 109.583 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.603 ' OE1' HD21 ' C' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 1.21 109.536 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.483 -0.562 . . . . 1.7 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.53 156.57 16.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.61 109.461 179.807 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 75.0 m-85 -140.17 -172.01 3.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.246 -0.909 . . . . 0.58 109.628 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 7.5 p -153.53 163.0 40.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.42 109.494 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.47 133.75 17.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.36 109.403 -179.704 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.49 131.02 34.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.346 -0.846 . . . . 1.37 109.482 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 38.5 mt -123.82 116.73 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.915 . . . . 0.47 109.526 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.9 153.88 39.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 2.1 109.615 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.83 138.72 3.19 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.674 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.438 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.5 ttt180 -81.74 -51.02 8.59 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 2.68 109.36 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.14 -46.52 85.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 2.22 109.504 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -41.24 93.13 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.245 -0.909 . . . . 2.77 109.479 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 58.3 t80 -55.42 -54.89 38.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -0.827 . . . . 0.43 109.809 -179.888 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.9 mt-10 -50.24 -34.65 23.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 1.66 109.902 -179.71 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.1 -50.08 71.93 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.106 -0.996 . . . . 0.44 110.077 -179.493 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.1 -53.99 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.899 . . . . 0.29 109.266 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.41 -34.43 24.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.424 -0.798 . . . . 2.44 109.575 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.58 -50.41 73.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -0.974 . . . . 1.74 109.868 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' B' ' 344' ' ' LEU . 90.4 mt -61.48 -34.66 75.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.274 -0.891 . . . . 0.3 108.941 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.54 57.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.506 -0.746 . . . . 1.22 109.595 179.75 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.85 76.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 1.72 110.027 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.93 -53.61 55.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.27 110.139 -179.488 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.97 -40.09 92.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.29 109.557 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.41 -36.4 78.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.952 . . . . 1.91 109.58 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.66 -48.03 76.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.41 109.738 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.47 -36.86 81.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.364 -0.835 . . . . 1.56 109.194 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.5 -39.59 76.82 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.57 -0.706 . . . . 1.43 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -45.89 75.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.66 109.456 -179.834 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.484 ' OE1' HD21 ' B' ' 350' ' ' LEU . 29.6 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.302 -0.874 . . . . 1.18 109.738 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.48 -0.563 . . . . 1.61 109.48 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.55 156.66 16.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.57 109.38 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 75.4 m-85 -140.22 -172.17 3.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.53 109.647 -179.828 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' O ' ' B' ' 328' ' ' PHE . 7.8 p -153.45 162.89 40.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.38 109.503 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.38 133.76 17.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.36 109.459 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.53 131.09 34.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 1.36 109.425 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.0 mt -123.86 116.65 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.49 109.506 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.87 153.88 39.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 2.1 109.674 179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 138.65 3.22 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.76 -1.336 . . . . 0.44 109.76 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.5 ttt180 -81.71 -50.95 8.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -1.101 . . . . 2.72 109.409 179.806 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.51 85.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 2.21 109.508 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -41.29 93.21 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.322 -0.861 . . . . 2.79 109.445 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' B' ' 332' ' ' ILE . 57.9 t80 -55.41 -54.88 38.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.45 109.814 -179.845 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 14.8 mt-10 -50.2 -34.63 23.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.441 -0.787 . . . . 1.68 109.867 -179.733 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.184 -0.948 . . . . 0.43 110.032 -179.423 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.2 m-85 -61.13 -53.98 50.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.161 -0.962 . . . . 0.28 109.292 -179.854 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.53 -34.37 25.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.371 -0.831 . . . . 2.52 109.567 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.56 -50.45 73.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.197 -0.939 . . . . 1.75 109.806 -179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' A' ' 344' ' ' LEU . 91.2 mt -61.41 -34.64 75.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.2 -0.937 . . . . 0.31 109.047 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.504 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.3 t-20 -58.86 -53.52 57.5 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 1.21 109.645 179.709 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.88 76.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.287 -0.883 . . . . 1.69 110.103 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.97 -53.57 56.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.27 110.142 -179.477 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.04 -39.92 91.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.219 -0.925 . . . . 0.3 109.632 -179.517 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.56 -36.33 78.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.15 -0.969 . . . . 1.93 109.542 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.484 HD21 ' OE1' ' A' ' 354' ' ' GLN . 13.7 tp -64.63 -48.02 76.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.418 -0.801 . . . . 0.4 109.785 -179.807 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.49 -36.98 81.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.433 -0.792 . . . . 1.59 109.133 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -57.37 -39.67 76.49 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.524 -0.735 . . . . 1.43 109.634 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.83 76.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 0.65 109.523 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.368 -0.833 . . . . 1.19 109.646 -179.896 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.457 -0.571 . . . . 2.11 109.457 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.54 156.59 16.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.64 109.37 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 75.3 m-85 -140.13 -171.96 3.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.094 -1.004 . . . . 0.49 109.568 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' C' ' 328' ' ' PHE . 7.6 p -153.6 162.92 40.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.47 109.541 -179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.4 tp -149.42 133.75 17.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.42 109.558 -179.787 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.42 131.02 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 1.81 109.54 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.1 mt -123.79 116.69 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 0.42 109.515 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.96 154.04 39.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 2.35 109.551 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.76 138.74 3.17 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.814 -1.314 . . . . 0.41 109.814 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.5 ttt180 -81.86 -50.87 8.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.339 -1.095 . . . . 2.59 109.384 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.22 -46.6 85.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 2.54 109.408 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -41.2 92.8 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.848 . . . . 3.39 109.544 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' C' ' 332' ' ' ILE . 58.1 t80 -55.36 -55.05 36.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 0.47 109.747 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.17 -34.6 23.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 1.66 109.948 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.15 -50.02 72.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.147 -0.971 . . . . 0.61 110.065 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -53.84 51.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.189 -0.944 . . . . 0.33 109.303 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.62 -34.23 25.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.844 . . . . 3.28 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.73 -50.3 74.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.088 -1.007 . . . . 1.78 109.831 -179.706 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.41 -34.72 75.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.38 109.026 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.5 t-20 -58.84 -53.66 55.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.512 -0.742 . . . . 1.2 109.554 179.765 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.79 76.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.398 -0.814 . . . . 2.12 110.12 -179.573 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -53.66 55.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.174 -0.954 . . . . 0.26 110.098 -179.501 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.87 -40.05 91.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.096 -1.003 . . . . 0.4 109.61 -179.581 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.45 -36.39 78.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 2.09 109.565 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.6 -48.16 75.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.75 109.742 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.35 -36.97 81.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.357 -0.839 . . . . 2.19 109.134 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.513 -0.742 . . . . 1.34 109.595 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.91 75.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.72 109.487 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.8 109.668 -179.932 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.567 -0.531 . . . . 1.67 109.567 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -94.57 156.54 16.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.96 . . . . 0.61 109.46 179.873 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 75.2 m-85 -140.13 -172.11 3.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.56 109.644 -179.777 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.6 p -153.39 163.12 40.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.43 109.505 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.2 tp -149.52 133.85 17.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.307 -0.871 . . . . 0.35 109.491 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.57 131.04 34.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.309 -0.87 . . . . 1.37 109.528 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.87 116.64 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.48 109.502 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.87 153.9 39.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 2.08 109.625 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.89 138.69 3.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.802 -1.319 . . . . 0.4 109.802 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.5 ttt180 -81.67 -51.02 8.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -1.133 . . . . 2.64 109.435 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.15 -46.56 85.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 2.22 109.456 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.38 92.81 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.224 -0.922 . . . . 2.74 109.446 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CD1' HD12 ' D' ' 332' ' ' ILE . 57.9 t80 -55.42 -54.88 38.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.822 . . . . 0.43 109.777 -179.811 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 14.7 mt-10 -50.22 -34.68 23.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.69 109.938 -179.713 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.99 -50.18 71.78 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.122 -0.987 . . . . 0.43 110.086 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.4 m-85 -61.06 -53.93 51.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.27 109.317 -179.843 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.6 -34.3 25.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 2.45 109.582 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.58 -50.38 73.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.75 109.78 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' C' ' 344' ' ' LEU . 90.5 mt -61.47 -34.64 75.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.323 -0.861 . . . . 0.31 109.005 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.485 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -58.92 -53.47 58.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.409 -0.807 . . . . 1.22 109.628 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.74 76.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.313 -0.867 . . . . 1.73 110.09 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.02 -53.6 55.91 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 0.28 110.122 -179.471 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.01 -39.89 91.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.183 -0.948 . . . . 0.31 109.677 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.51 -36.38 78.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.91 109.593 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.49 -48.17 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 0.43 109.78 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.4 -37.01 81.9 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 1.57 109.165 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.33 -39.68 76.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.56 -0.712 . . . . 1.44 109.656 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.92 75.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 0.64 109.478 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.21 109.684 -179.884 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.28 0.562 . . . . 1.7 109.592 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.63 158.85 15.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.285 -0.884 . . . . 0.61 109.342 179.821 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.4 m-85 -138.96 -169.35 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.58 109.558 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.505 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 14.7 p -153.69 157.82 40.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.42 109.398 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.5 tp -148.61 132.78 17.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.36 109.632 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 3.2 tt0 -87.01 128.02 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.37 109.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.7 mt -123.77 118.74 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.96 . . . . 0.47 109.691 179.887 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.6 OUTLIER -74.51 148.56 40.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.404 -0.81 . . . . 2.1 109.777 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.67 140.91 11.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.893 -1.283 . . . . 0.42 109.893 179.559 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.0 ttp180 -82.39 -59.24 2.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -1.095 . . . . 2.68 109.379 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.32 -42.48 86.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.862 . . . . 2.22 109.347 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.573 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.22 96.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 2.77 109.058 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.8 t80 -56.18 -56.83 16.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.481 -0.762 . . . . 0.43 109.68 179.773 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.58 -34.44 25.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.425 -0.797 . . . . 1.66 109.737 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -61.91 -48.54 80.01 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.44 109.609 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.515 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -61.34 -50.39 73.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.29 109.171 179.898 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.451 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.3 OUTLIER -51.15 -36.61 41.76 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.399 -0.813 . . . . 2.44 109.488 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.96 . . . . 1.74 109.873 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 78.5 mt -61.82 -45.23 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.3 109.488 -179.779 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.535 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.3 t30 -57.96 -44.69 87.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -0.878 . . . . 1.22 109.595 -179.847 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.54 -38.81 91.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -0.904 . . . . 1.72 109.622 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.11 -49.56 77.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.27 109.868 -179.757 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 42.8 mt -61.41 -41.78 97.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 0.29 109.679 -179.664 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.75 -37.46 81.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.25 -0.906 . . . . 1.91 109.651 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -64.22 -46.06 85.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.41 109.514 -179.653 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.384 -0.823 . . . . 1.56 109.008 179.884 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.64 -36.56 72.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 1.43 109.627 179.857 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.26 75.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.902 . . . . 0.66 109.735 -179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 1.18 109.598 -179.918 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.288 0.566 . . . . 1.61 109.588 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.62 158.87 15.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.57 109.33 179.802 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.3 m-85 -138.92 -169.33 2.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.53 109.5 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 14.6 p -153.64 157.75 40.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 0.38 109.482 -179.792 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.6 tp -148.59 132.92 17.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.36 109.552 -179.925 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 3.2 tt0 -87.1 128.01 35.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.36 109.507 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.519 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.8 mt -123.73 118.84 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -0.983 . . . . 0.49 109.718 179.876 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER -74.64 148.74 40.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.52 140.98 10.97 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.964 -1.255 . . . . 0.44 109.964 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 36.0 ttp180 -82.48 -59.26 2.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.391 -1.064 . . . . 2.72 109.363 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.34 -42.69 87.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 2.21 109.254 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.566 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.26 -44.23 95.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 2.79 109.11 179.941 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.5 t80 -56.27 -56.83 16.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.546 -0.721 . . . . 0.45 109.656 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -50.52 -34.37 25.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.822 . . . . 1.68 109.731 -179.723 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.03 -48.42 80.34 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.228 -0.92 . . . . 0.43 109.637 -179.602 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -61.42 -50.39 73.03 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.236 -0.915 . . . . 0.28 109.157 179.834 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.3 OUTLIER -51.12 -36.6 41.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 2.52 109.46 179.829 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.89 -45.03 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.935 . . . . 1.75 109.783 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 79.1 mt -61.73 -45.23 94.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.31 109.609 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.53 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.2 t30 -57.89 -44.71 86.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.91 . . . . 1.21 109.692 -179.928 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.55 -38.63 90.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.69 109.649 -179.825 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.4 -49.39 77.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.345 -0.847 . . . . 0.27 109.837 -179.691 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.56 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 42.9 mt -61.46 -41.78 97.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.276 -0.89 . . . . 0.3 109.615 -179.728 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.89 -37.39 82.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.93 109.673 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.666 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -64.25 -46.08 85.35 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.419 -0.801 . . . . 0.4 109.586 -179.768 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -61.59 -38.4 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.371 -0.831 . . . . 1.59 109.003 179.855 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.64 72.17 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.548 -0.72 . . . . 1.43 109.643 179.749 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.37 75.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.65 109.685 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.474 ' OE1' HD11 ' A' ' 350' ' ' LEU . 44.2 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.164 -0.96 . . . . 1.19 109.516 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.233 0.54 . . . . 2.11 109.668 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -93.65 158.95 15.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.876 . . . . 0.64 109.335 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -138.99 -169.32 2.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.49 109.491 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 14.8 p -153.65 157.81 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.47 109.501 -179.793 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.4 tp -148.64 132.89 17.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.42 109.581 -179.923 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 3.2 tt0 -87.04 127.96 35.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 1.81 109.584 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.67 118.84 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.42 109.67 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.6 OUTLIER -74.59 148.63 40.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.36 -0.837 . . . . 2.35 109.77 179.945 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.54 140.89 10.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.964 -1.255 . . . . 0.41 109.964 179.622 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.0 ttp180 -82.27 -59.32 2.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.38 -1.07 . . . . 2.59 109.416 179.823 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -58.32 -42.5 86.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 2.54 109.317 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.14 96.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.245 -0.909 . . . . 3.39 109.029 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.5 t80 -56.35 -56.75 17.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.538 -0.726 . . . . 0.47 109.628 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.59 -34.32 25.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 1.66 109.812 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -61.96 -48.41 80.49 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.218 -0.926 . . . . 0.61 109.72 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.46 -50.41 72.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.33 109.074 179.856 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.447 ' NH1' ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.11 -36.63 41.41 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.351 -0.843 . . . . 3.28 109.495 179.877 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.78 -45.04 95.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.78 109.838 -179.85 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' D' ' 344' ' ' LEU . 78.4 mt -61.76 -45.26 94.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.38 109.521 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.1 t30 -57.87 -44.72 86.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.2 109.751 -179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.55 -38.6 90.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 2.12 109.641 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.47 77.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.335 -0.853 . . . . 0.26 109.89 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 42.8 mt -61.35 -41.87 97.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.41 -0.807 . . . . 0.4 109.654 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.77 -37.35 81.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 2.09 109.657 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.658 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -64.32 -46.11 84.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.417 -0.802 . . . . 0.75 109.502 -179.655 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -61.52 -38.53 87.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 2.19 108.966 179.931 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.651 -0.655 . . . . 1.34 109.695 179.746 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.33 75.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 0.72 109.628 -179.708 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.484 ' OE1' HD11 ' D' ' 350' ' ' LEU . 44.0 mt-30 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 1.8 109.639 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.313 0.578 . . . . 1.67 109.557 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.49 158.95 15.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.61 109.324 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.7 m-85 -139.01 -169.44 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.214 -0.929 . . . . 0.56 109.539 -179.91 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 14.9 p -153.63 157.73 40.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 0.43 109.507 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.5 tp -148.52 132.85 17.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.35 109.647 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 3.2 tt0 -87.06 128.1 35.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.37 109.475 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -123.8 118.74 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.48 109.7 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.6 OUTLIER -74.5 148.73 40.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.08 109.68 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.487 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.55 140.83 10.89 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.4 109.904 179.488 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 36.0 ttp180 -82.35 -59.21 2.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.282 -1.129 . . . . 2.64 109.414 179.857 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -58.42 -42.59 87.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 2.22 109.274 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.56 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.35 -44.22 95.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.389 -0.819 . . . . 2.74 109.061 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.4 t80 -56.3 -56.72 17.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.53 -0.731 . . . . 0.43 109.645 179.932 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -50.63 -34.38 25.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.69 109.73 -179.716 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -62.02 -48.44 80.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.15 -0.968 . . . . 0.43 109.682 -179.668 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -61.37 -50.36 73.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.266 -0.896 . . . . 0.27 109.188 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.448 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.3 OUTLIER -51.19 -36.57 41.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.416 -0.803 . . . . 2.45 109.5 179.804 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -45.03 95.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 1.75 109.825 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' C' ' 344' ' ' LEU . 79.0 mt -61.76 -45.3 94.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.31 109.535 -179.78 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.3 t30 -57.9 -44.75 86.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 1.22 109.664 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.53 -38.64 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.281 -0.887 . . . . 1.73 109.625 -179.842 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.35 -49.48 77.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.291 -0.881 . . . . 0.28 109.9 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 42.7 mt -61.31 -41.88 97.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.881 . . . . 0.31 109.637 -179.769 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.9 -37.34 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 1.91 109.609 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -64.29 -45.97 85.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.43 109.532 -179.683 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.36 -0.838 . . . . 1.57 109.031 179.841 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.45 71.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.568 -0.708 . . . . 1.44 109.596 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.3 75.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.64 109.647 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.934 . . . . 1.21 109.583 -179.914 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 108.787 -0.82 . . . . 1.7 108.787 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.13 148.13 22.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.61 109.943 -179.501 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 66.2 m-85 -138.29 -168.14 2.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.41 -0.807 . . . . 0.58 109.216 179.935 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 37.3 p -153.48 157.73 40.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.42 109.29 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.75 131.35 14.89 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.299 -0.876 . . . . 0.36 109.582 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.9 tt0 -86.38 131.0 34.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 1.37 109.195 179.768 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.4 mt -123.89 118.36 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.185 -0.947 . . . . 0.47 109.552 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.72 151.39 40.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -0.832 . . . . 2.1 109.445 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.95 135.15 4.25 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.672 -1.371 . . . . 0.42 109.672 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.38 -51.23 9.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 2.68 109.522 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.14 -45.7 86.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.8 . . . . 2.22 109.42 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 1.4 ttt180 -60.29 -41.2 92.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.307 -0.87 . . . . 2.77 109.491 -179.811 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.458 ' CD1' HD12 ' A' ' 332' ' ' ILE . 83.3 t80 -55.02 -55.0 35.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.458 -0.776 . . . . 0.43 109.664 -179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -51.05 -37.1 43.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 1.66 109.93 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.0 -50.47 70.62 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.191 -0.943 . . . . 0.44 110.182 -179.242 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 34.2 m-85 -60.17 -55.56 32.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.29 109.232 -179.687 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.58 -36.19 33.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.486 -0.759 . . . . 2.44 109.632 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.92 -45.0 96.41 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.115 -0.991 . . . . 1.74 109.758 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 344' ' ' LEU . 91.2 mt -61.2 -43.96 98.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.836 . . . . 0.3 109.458 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 41.3 t30 -58.24 -46.01 86.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.22 109.811 -179.858 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -38.68 91.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 1.72 110.03 -179.637 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.13 -53.91 52.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.27 110.038 -179.556 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.501 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 25.8 mt -60.68 -40.75 93.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.29 109.648 -179.59 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 349' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 11.1 mt-10 -59.84 -35.91 75.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 1.91 109.422 179.844 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.63 -45.9 84.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 0.41 109.213 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.29 -37.44 83.2 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.406 -0.809 . . . . 1.56 108.858 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -57.7 -32.66 67.59 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.602 -0.686 . . . . 1.43 109.472 179.644 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.04 85.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.66 109.333 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 1.18 109.59 179.773 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 108.815 -0.809 . . . . 1.61 108.815 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.1 148.18 22.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.57 109.84 -179.438 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 66.2 m-85 -138.3 -168.17 2.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.393 -0.817 . . . . 0.53 109.257 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.436 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.0 p -153.52 157.72 40.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.38 109.282 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.72 131.4 14.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.189 -0.945 . . . . 0.36 109.569 -179.83 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.9 tt0 -86.35 130.9 34.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.322 -0.861 . . . . 1.36 109.218 179.744 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' B' ' 338' ' ' PHE . 38.9 mt -123.82 118.35 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.49 109.582 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.78 151.14 40.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.368 -0.833 . . . . 2.1 109.576 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.34 135.18 4.46 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.623 -1.391 . . . . 0.44 109.623 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.37 -51.3 9.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 2.72 109.518 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.15 -45.64 87.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 2.21 109.341 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.456 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.4 ttt180 -60.46 -41.12 93.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.275 -0.891 . . . . 2.79 109.477 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' B' ' 332' ' ' ILE . 83.5 t80 -55.07 -55.01 35.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.338 -0.851 . . . . 0.45 109.68 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -51.03 -37.06 43.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 1.68 109.873 -179.773 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.03 -50.48 70.49 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.208 -0.932 . . . . 0.43 110.224 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 34.6 m-85 -60.1 -55.64 31.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.28 109.235 -179.745 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.54 -36.19 33.16 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.418 -0.801 . . . . 2.52 109.605 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.88 -44.99 96.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.75 109.813 -179.756 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 344' ' ' LEU . 91.3 mt -61.34 -43.79 98.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.214 -0.929 . . . . 0.31 109.474 -179.859 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.29 -45.98 86.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.867 . . . . 1.21 109.813 -179.922 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.83 92.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 1.69 110.011 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.96 -53.84 53.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.878 . . . . 0.27 110.093 -179.64 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.445 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 25.8 mt -60.67 -40.89 93.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.3 109.552 -179.586 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.83 -35.94 75.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.953 . . . . 1.93 109.435 179.879 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.51 -46.01 84.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.3 -0.875 . . . . 0.4 109.281 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.853 -0.795 . . . . 1.59 108.853 179.656 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.58 -32.66 67.38 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.558 -0.714 . . . . 1.43 109.47 179.629 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.98 85.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.892 . . . . 0.65 109.326 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.883 . . . . 1.19 109.488 179.861 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.832 -0.803 . . . . 2.11 108.832 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -92.02 148.17 22.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.073 -1.017 . . . . 0.64 109.895 -179.406 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 66.1 m-85 -138.33 -168.13 2.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.486 -0.759 . . . . 0.49 109.29 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 37.2 p -153.51 157.8 40.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.47 109.262 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.83 131.35 14.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.275 -0.891 . . . . 0.42 109.536 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.93 34.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 1.81 109.175 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' C' ' 338' ' ' PHE . 38.2 mt -123.74 118.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.958 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.71 151.27 40.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 2.35 109.512 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.13 135.16 4.35 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.684 -1.367 . . . . 0.41 109.684 179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.47 -51.21 9.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -1.22 . . . . 2.59 109.498 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.18 -45.72 87.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.851 . . . . 2.54 109.44 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.4 ttt180 -60.33 -41.1 92.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.347 -0.845 . . . . 3.39 109.491 -179.772 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' C' ' 332' ' ' ILE . 83.0 t80 -55.1 -55.08 35.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.376 -0.827 . . . . 0.47 109.628 -179.869 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.9 -37.21 42.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 1.66 109.969 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.83 -50.53 70.61 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.296 -0.878 . . . . 0.61 110.304 -179.331 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 35.0 m-85 -59.95 -55.62 31.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.922 . . . . 0.33 109.331 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.73 -36.12 34.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.441 -0.787 . . . . 3.28 109.615 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -60.8 -45.08 95.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 1.78 109.781 -179.782 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.24 -43.94 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.882 . . . . 0.38 109.431 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' C' ' 349' ' ' GLU . 41.4 t30 -58.26 -45.87 87.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 1.2 109.897 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.75 92.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 2.12 110.021 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.81 54.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.26 110.024 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 25.9 mt -60.76 -40.87 94.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.4 109.537 -179.555 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 11.1 mt-10 -59.74 -35.97 75.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -0.883 . . . . 2.09 109.457 179.833 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.684 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.62 -45.8 85.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -0.838 . . . . 0.75 109.34 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.6 ttmt -61.24 -37.58 83.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.393 -0.817 . . . . 2.19 108.904 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.54 -32.77 67.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.56 -0.712 . . . . 1.34 109.464 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.07 85.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 0.72 109.37 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 1.8 109.498 179.896 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.78 -0.822 . . . . 1.67 108.78 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -92.22 148.03 22.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.111 -0.993 . . . . 0.61 109.816 -179.397 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 65.6 m-85 -138.21 -168.14 2.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.822 . . . . 0.56 109.19 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.3 p -153.47 157.67 40.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.223 -0.923 . . . . 0.43 109.328 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.72 131.37 14.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.237 -0.914 . . . . 0.35 109.539 -179.797 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.98 34.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.358 -0.838 . . . . 1.37 109.183 179.809 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.445 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.84 118.3 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.1 -1.0 . . . . 0.48 109.55 -179.917 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.71 151.22 40.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.36 -0.837 . . . . 2.08 109.497 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.18 135.17 4.38 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.43 -51.24 9.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -1.134 . . . . 2.64 109.522 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.11 -45.7 86.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.389 -0.82 . . . . 2.22 109.456 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 1.4 ttt180 -60.41 -41.09 93.19 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.293 -0.879 . . . . 2.74 109.472 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' D' ' 332' ' ' ILE . 83.3 t80 -55.0 -55.14 34.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.36 -0.837 . . . . 0.43 109.636 -179.846 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.95 -37.09 42.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.69 109.97 -179.765 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.94 -50.51 70.52 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.259 -0.901 . . . . 0.43 110.213 -179.287 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.445 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 34.7 m-85 -60.04 -55.55 32.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.191 -0.943 . . . . 0.27 109.34 -179.795 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.64 -36.14 33.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 2.45 109.628 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -60.93 -44.94 96.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.75 109.833 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' C' ' 344' ' ' LEU . 91.5 mt -61.31 -43.85 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.31 109.408 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' D' ' 349' ' ' GLU . 41.3 t30 -58.28 -46.03 86.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.79 -179.833 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.67 91.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 1.73 110.023 -179.648 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -53.83 53.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.868 . . . . 0.28 109.997 -179.49 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 25.3 mt -60.61 -40.8 93.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.253 -0.904 . . . . 0.31 109.705 -179.636 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 11.2 mt-10 -59.87 -35.88 75.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 1.91 109.468 179.819 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.66 -45.88 84.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.43 109.238 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.6 ttmt -61.23 -37.62 83.7 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.445 -0.785 . . . . 1.57 108.887 179.634 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.65 -32.64 67.48 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.551 -0.718 . . . . 1.44 109.472 179.673 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.1 85.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.64 109.365 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 1.21 109.519 179.853 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.357 -0.609 . . . . 1.7 109.357 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -92.98 158.35 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.61 109.451 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.2 m-85 -139.38 -169.79 2.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.187 -0.946 . . . . 0.58 109.358 -179.898 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.1 p -153.56 160.06 42.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.047 -1.033 . . . . 0.42 109.565 -179.723 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.89 129.62 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 0.36 109.503 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -86.92 128.15 35.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 1.37 109.646 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.494 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.1 mt -123.87 119.65 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.47 109.668 179.818 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -73.49 149.79 42.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 2.1 109.589 179.873 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 89.37 130.46 3.95 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.769 -1.333 . . . . 0.42 109.769 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 ttp180 -76.93 -51.76 10.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -1.063 . . . . 2.68 109.504 179.902 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.05 -46.86 87.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 2.22 109.49 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.1 ttt180 -61.6 -42.8 99.39 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.255 -0.903 . . . . 2.77 109.452 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.3 t80 -55.46 -56.89 14.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.52 -0.737 . . . . 0.43 109.936 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.64 -32.98 20.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.66 109.909 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.7 -49.8 73.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.972 . . . . 0.44 109.925 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 25.8 m-85 -61.34 -47.69 84.74 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.16 -0.963 . . . . 0.29 109.116 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.22 -41.25 60.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.411 -0.806 . . . . 2.44 109.552 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.08 -42.96 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.74 109.976 -179.712 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.33 -45.06 94.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.3 109.531 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.403 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 49.1 t30 -57.9 -46.0 85.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 1.22 109.767 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.8 -37.56 84.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 1.72 109.731 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.64 -45.32 94.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.27 109.908 -179.794 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.716 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 12.7 mt -61.61 -46.15 91.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.212 -0.93 . . . . 0.29 109.783 -179.621 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -39.17 83.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.91 109.958 -179.885 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.8 tp -63.57 -43.46 96.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.41 109.762 -179.682 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 1.56 108.834 179.819 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.6 -34.03 64.48 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.425 -0.797 . . . . 1.43 109.507 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.4 80.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.66 109.491 179.936 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 1.18 109.823 -179.852 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.414 -0.587 . . . . 1.61 109.414 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 17.2 m-85 -93.1 158.33 15.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.338 -0.851 . . . . 0.57 109.403 -179.957 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.2 m-85 -139.31 -169.67 2.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.53 109.51 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.3 p -153.58 160.1 42.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.004 . . . . 0.38 109.646 -179.732 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.7 tp -148.94 129.71 14.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.36 109.453 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -87.0 128.28 35.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 1.36 109.545 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.498 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.0 mt -124.02 119.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.49 109.561 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -73.63 149.89 41.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.1 109.47 179.92 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 89.36 130.5 3.96 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.706 -1.358 . . . . 0.44 109.706 179.719 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.2 ttp180 -76.94 -51.81 10.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -1.104 . . . . 2.72 109.431 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.84 87.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 2.21 109.588 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.1 ttt180 -61.52 -42.85 99.42 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 2.79 109.448 -179.845 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.498 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.9 t80 -55.56 -56.86 15.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 0.45 109.838 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.57 -33.02 20.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.68 109.893 -179.669 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.109 -0.994 . . . . 0.43 109.847 -179.609 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.675 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 25.6 m-85 -61.31 -47.69 84.79 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.28 109.12 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.21 -41.31 60.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.384 -0.822 . . . . 2.52 109.526 179.829 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.17 -42.83 95.82 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 1.75 109.923 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.29 -45.13 94.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.31 109.576 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.88 -45.96 85.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.883 . . . . 1.21 109.821 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.8 -37.58 84.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.935 . . . . 1.69 109.742 -179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.6 -45.23 94.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.27 109.948 -179.84 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.717 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 12.7 mt -61.67 -46.12 91.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.3 109.807 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.57 -39.24 83.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 1.93 109.948 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 16.3 tp -63.45 -43.55 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.4 109.76 -179.741 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.57 -39.03 89.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 1.59 108.853 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.56 -34.16 64.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 1.43 109.471 179.747 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.44 80.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.65 109.433 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.19 109.749 -179.816 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.414 -0.587 . . . . 2.11 109.414 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -93.02 158.4 15.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -0.883 . . . . 0.64 109.486 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.2 m-85 -139.39 -169.73 2.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.203 -0.936 . . . . 0.49 109.45 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.2 p -153.63 160.03 42.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.194 -0.941 . . . . 0.47 109.661 -179.756 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.84 129.81 14.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 0.42 109.46 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.12 128.1 35.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.81 109.531 -179.919 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.5 mt -123.86 119.72 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.148 -0.97 . . . . 0.42 109.618 179.8 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -73.57 149.82 41.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 2.35 109.458 179.941 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 89.32 130.47 3.93 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.779 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.2 ttp180 -76.8 -51.82 10.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -1.154 . . . . 2.59 109.483 179.85 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.04 -46.81 87.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 2.54 109.579 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttt180 -61.64 -42.82 99.43 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.327 -0.858 . . . . 3.39 109.469 -179.837 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.9 t80 -55.5 -56.9 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.372 -0.83 . . . . 0.47 109.83 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.54 -33.09 20.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.332 -0.855 . . . . 1.66 110.013 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.65 -49.78 73.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.093 -1.004 . . . . 0.61 109.919 -179.654 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.716 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 25.5 m-85 -61.45 -47.67 84.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.33 109.094 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.11 -41.35 59.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.354 -0.842 . . . . 3.28 109.592 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.11 -42.92 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 1.78 109.941 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' C' ' 344' ' ' LEU . 87.6 mt -62.34 -45.03 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.38 109.578 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -57.92 -46.01 85.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.848 . . . . 1.2 109.727 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 5.1 mt-10 -61.92 -37.32 84.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.12 109.759 -179.644 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -45.27 94.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.26 109.969 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.701 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 12.6 mt -61.75 -46.13 90.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.253 -0.905 . . . . 0.4 109.788 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.39 -39.27 82.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 2.09 109.92 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.3 tp -63.54 -43.53 96.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.75 109.691 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.55 -39.02 89.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.27 -0.894 . . . . 2.19 108.898 179.831 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.65 -34.04 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 1.34 109.457 179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.37 80.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.72 109.424 -179.961 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.326 -0.859 . . . . 1.8 109.837 -179.895 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.495 -0.558 . . . . 1.67 109.495 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 17.1 m-85 -93.01 158.48 15.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 0.61 109.444 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -139.44 -169.82 2.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -0.887 . . . . 0.56 109.408 -179.885 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.1 p -153.54 160.13 42.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.43 109.716 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -148.92 129.67 14.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.35 109.421 -179.809 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.7 tp60 -86.97 128.17 35.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 1.37 109.55 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.4 mt -123.96 119.61 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.48 109.584 179.81 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.495 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -73.51 149.84 41.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.933 . . . . 2.08 109.517 179.832 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 89.39 130.22 3.88 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.824 -1.31 . . . . 0.4 109.824 179.751 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.2 ttp180 -76.7 -51.78 10.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -1.111 . . . . 2.64 109.518 179.917 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.71 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 2.22 109.571 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.1 ttt180 -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.339 -0.851 . . . . 2.74 109.433 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' D' ' 332' ' ' ILE . 46.0 t80 -55.54 -56.9 14.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.43 109.832 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.49 -33.2 20.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 1.69 109.882 -179.64 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.58 -49.96 73.2 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.112 -0.993 . . . . 0.43 109.906 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.717 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 25.7 m-85 -61.29 -47.62 85.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.27 109.192 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.16 -41.36 60.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 2.45 109.579 179.748 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.14 -42.78 95.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.75 110.011 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 344' ' ' LEU . 88.0 mt -62.36 -45.16 94.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.31 109.547 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 49.1 t30 -57.84 -45.97 85.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.37 -0.831 . . . . 1.22 109.765 -179.939 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.8 -37.5 84.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.216 -0.927 . . . . 1.73 109.754 -179.748 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.64 -45.34 94.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.877 . . . . 0.28 109.943 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 12.8 mt -61.63 -46.1 91.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.327 -0.858 . . . . 0.31 109.863 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.21 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 1.91 109.895 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 16.0 tp -63.63 -43.51 96.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 0.43 109.718 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 12.3 ttmm -61.5 -39.02 89.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 1.57 108.897 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.53 -34.2 64.46 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.593 -0.692 . . . . 1.44 109.47 179.717 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.24 80.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.64 109.528 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.858 . . . . 1.21 109.828 -179.935 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.563 -0.532 . . . . 1.7 109.563 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -93.81 154.26 17.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.362 -0.837 . . . . 0.61 109.35 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 67.6 m-85 -138.72 -168.33 2.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 0.58 109.496 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.1 p -152.93 161.1 42.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.234 -0.916 . . . . 0.42 109.597 -179.798 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.7 tp -148.93 132.68 16.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.36 109.474 -179.732 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 1.0 OUTLIER -86.3 126.23 34.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.37 109.617 -179.856 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.486 HD13 ' CD2' ' A' ' 341' ' ' PHE . 41.9 mt -124.0 115.28 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.47 109.407 179.759 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.62 147.0 44.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 2.1 109.547 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.54 134.46 8.51 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.881 -1.288 . . . . 0.42 109.881 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.6 -58.34 3.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 2.68 109.371 179.844 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.63 -45.34 89.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 2.22 109.424 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.525 ' NH1' HD22 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -60.44 -41.62 94.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.278 -0.889 . . . . 2.77 109.472 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.9 -53.98 50.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.893 . . . . 0.43 109.48 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.83 -31.18 16.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.332 -0.855 . . . . 1.66 110.031 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 32.6 ttp -64.69 -48.95 72.81 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.124 -0.985 . . . . 0.44 109.671 -179.761 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 332' ' ' ILE . 22.1 m-85 -60.58 -52.12 66.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.29 109.253 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.55 -39.21 48.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.351 -0.843 . . . . 2.44 109.735 179.916 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.18 -43.87 98.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 1.74 110.005 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.96 -45.78 92.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.3 109.627 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.1 -44.19 87.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.336 -0.852 . . . . 1.22 109.849 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.99 -41.38 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.72 109.776 -179.722 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.69 -46.54 87.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.27 109.559 -179.82 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.595 HD22 ' NH1' ' C' ' 337' ' ' ARG . 25.5 mt -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.451 -0.781 . . . . 0.29 109.553 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.46 -38.01 82.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 1.91 109.801 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 350' ' ' LEU . 16.2 tp -63.22 -48.61 77.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.41 109.879 -179.515 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.72 83.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 1.56 109.112 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -33.72 68.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.582 -0.699 . . . . 1.43 109.717 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.69 13.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.66 109.651 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' HD11 ' B' ' 350' ' ' LEU . 85.6 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 1.18 109.649 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.274 0.559 . . . . 1.61 109.593 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -93.76 154.28 17.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.57 109.385 179.832 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 67.7 m-85 -138.71 -168.24 2.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.53 109.589 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 15.7 p -153.04 161.08 42.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.38 109.563 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 15.8 tp -148.92 132.95 17.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.36 109.411 -179.754 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.45 126.25 34.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 1.36 109.541 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' B' ' 341' ' ' PHE . 41.3 mt -123.97 115.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -0.938 . . . . 0.49 109.451 179.639 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.61 146.92 44.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.1 109.676 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.54 134.57 8.55 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.947 -1.261 . . . . 0.44 109.947 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -79.62 -58.39 3.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -1.073 . . . . 2.72 109.354 179.857 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 15.7 pt-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 2.21 109.437 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.624 ' NH1' HD22 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -60.6 -41.47 94.81 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.343 -0.848 . . . . 2.79 109.476 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.2 t80 -56.09 -53.89 51.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 0.45 109.43 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.9 -31.05 16.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.495 -0.753 . . . . 1.68 110.111 -179.793 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 32.7 ttp -64.83 -48.88 72.74 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.075 -1.016 . . . . 0.43 109.601 -179.738 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' B' ' 332' ' ' ILE . 21.8 m-85 -60.59 -51.97 67.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.28 109.304 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.468 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.64 -39.25 50.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.362 -0.836 . . . . 2.52 109.615 179.94 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.28 -43.74 98.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.254 -0.904 . . . . 1.75 109.956 -179.735 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.01 -45.73 92.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.202 -0.936 . . . . 0.31 109.612 -179.667 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.11 -44.11 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.21 109.89 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.05 -41.44 98.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 1.69 109.721 -179.704 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.69 -46.39 87.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.86 . . . . 0.27 109.59 -179.747 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.609 HD22 ' NH1' ' D' ' 337' ' ' ARG . 25.5 mt -62.18 -40.55 96.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.3 109.581 -179.829 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.61 -37.92 83.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.369 -0.832 . . . . 1.93 109.725 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 350' ' ' LEU . 16.1 tp -63.14 -48.76 77.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.507 -0.746 . . . . 0.4 109.841 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.02 -37.77 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 1.59 109.141 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.46 -33.69 68.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.489 -0.757 . . . . 1.43 109.685 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -55.69 13.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.65 109.691 -179.743 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.19 109.621 -179.984 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.568 -0.53 . . . . 2.11 109.568 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -93.8 154.29 17.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.64 109.312 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 67.8 m-85 -138.71 -168.36 2.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.49 109.584 -179.835 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.0 p -152.96 160.98 43.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.47 109.619 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.8 tp -148.84 132.79 17.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.42 109.498 -179.739 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.34 126.24 34.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 1.81 109.588 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.482 HD13 ' CD2' ' C' ' 341' ' ' PHE . 41.6 mt -123.98 115.32 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.14 -0.975 . . . . 0.42 109.427 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.66 146.86 44.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.283 -0.886 . . . . 2.35 109.674 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.62 134.43 8.5 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.95 -1.26 . . . . 0.41 109.95 179.691 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -79.47 -58.41 3.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.315 -1.109 . . . . 2.59 109.444 179.84 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -58.62 -45.27 89.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 2.54 109.452 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.595 ' NH1' HD22 ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.66 -41.56 95.24 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.291 -0.88 . . . . 3.39 109.367 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.1 t80 -56.05 -53.86 51.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 0.47 109.496 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -50.87 -31.14 16.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 1.66 110.088 -179.833 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.484 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 32.7 ttp -64.79 -48.85 72.97 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.078 -1.014 . . . . 0.61 109.647 -179.77 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CD2' HD13 ' C' ' 332' ' ' ILE . 22.3 m-85 -60.57 -52.15 66.41 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.167 -0.958 . . . . 0.33 109.3 179.861 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.467 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.63 -39.2 49.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 3.28 109.696 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.22 -43.77 98.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 1.78 109.943 -179.756 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' D' ' 344' ' ' LEU . 82.2 mt -61.99 -45.67 92.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.38 109.727 -179.758 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.24 -44.11 88.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 1.2 109.834 -179.821 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.95 -41.48 98.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.31 -0.869 . . . . 2.12 109.752 -179.745 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.63 -46.48 86.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.26 109.574 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.525 HD22 ' NH1' ' A' ' 337' ' ' ARG . 25.8 mt -62.12 -40.61 96.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.4 109.537 -179.851 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.51 -38.09 83.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 2.09 109.718 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' D' ' 354' ' ' GLN . 16.1 tp -63.18 -48.58 77.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 0.75 109.949 -179.574 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.75 83.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.193 -0.942 . . . . 2.19 109.049 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -33.6 68.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.598 -0.689 . . . . 1.34 109.7 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -55.63 13.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.72 109.596 -179.676 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 1.8 109.548 -179.893 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.241 0.543 . . . . 1.67 109.548 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.83 154.2 17.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 0.61 109.377 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 67.7 m-85 -138.74 -168.3 2.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.56 109.533 -179.812 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.0 p -152.99 161.09 42.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -0.95 . . . . 0.43 109.63 -179.743 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.0 tp -148.9 132.78 17.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.35 109.549 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.35 126.17 34.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 1.37 109.626 -179.839 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' D' ' 341' ' ' PHE . 41.4 mt -123.91 115.24 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.48 109.485 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.59 146.79 44.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 2.08 109.638 -179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.68 134.44 8.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.864 -1.294 . . . . 0.4 109.864 179.64 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.53 -58.42 3.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -1.163 . . . . 2.64 109.395 179.828 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 15.7 pt-20 -58.63 -45.33 89.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.403 -0.811 . . . . 2.22 109.407 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.609 ' NH1' HD22 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.45 -41.64 94.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.332 -0.855 . . . . 2.74 109.468 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.5 t80 -55.88 -53.95 50.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.257 -0.902 . . . . 0.43 109.513 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.92 -31.07 16.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.69 110.063 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 32.5 ttp -64.85 -48.83 72.91 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.087 -1.008 . . . . 0.43 109.644 -179.742 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' D' ' 332' ' ' ILE . 22.0 m-85 -60.55 -52.14 66.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.27 109.26 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.45 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.69 -39.17 50.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.45 109.647 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.24 -43.81 98.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.917 . . . . 1.75 109.927 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 344' ' ' LEU . 82.1 mt -61.88 -45.73 92.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.883 . . . . 0.31 109.71 -179.718 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.2 -44.13 87.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 1.22 109.826 -179.812 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.06 -41.4 98.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 1.73 109.748 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -46.23 87.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.347 -0.845 . . . . 0.28 109.651 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.624 HD22 ' NH1' ' B' ' 337' ' ' ARG . 25.8 mt -62.27 -40.68 97.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.31 109.412 -179.892 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.43 -38.21 83.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.455 -0.778 . . . . 1.91 109.726 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' D' ' 350' ' ' LEU . 16.1 tp -63.0 -48.67 77.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.43 109.978 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.11 -37.8 84.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 1.57 109.124 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -33.65 68.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.643 -0.661 . . . . 1.44 109.737 179.818 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.65 13.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.64 109.71 -179.739 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.501 ' OE1' HD11 ' C' ' 350' ' ' LEU . 85.8 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.294 -0.879 . . . . 1.21 109.662 179.941 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.258 0.551 . . . . 1.7 109.703 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.57 157.8 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.61 109.383 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -140.17 -174.88 4.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.328 -0.858 . . . . 0.58 109.48 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.0 p -153.12 159.68 42.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.981 . . . . 0.42 109.688 -179.681 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.5 tp -148.23 130.26 15.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.36 109.365 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.97 34.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 1.37 109.676 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.7 mt -123.98 118.85 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.935 . . . . 0.47 109.412 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 0.1 OUTLIER -74.21 136.39 42.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 2.1 109.606 179.947 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 103.11 129.9 6.8 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.888 -1.285 . . . . 0.42 109.888 179.637 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 55.7 ttt180 -74.83 -54.71 6.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.34 -1.094 . . . . 2.68 109.421 179.859 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.07 -45.99 86.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 2.22 109.541 179.954 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -60.6 -41.67 95.23 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.262 -0.899 . . . . 2.77 109.38 179.958 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' C' ' 329' ' ' THR . 61.6 t80 -56.05 -55.81 28.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.538 -0.726 . . . . 0.43 109.784 -179.884 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.87 -33.74 17.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 1.66 110.024 -179.515 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.82 -49.18 75.94 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.188 -0.945 . . . . 0.44 109.77 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 21.0 m-85 -61.64 -50.78 71.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.366 -0.834 . . . . 0.29 109.172 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.457 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.94 32.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.358 -0.839 . . . . 2.44 109.603 179.754 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.21 -48.57 81.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.138 -0.976 . . . . 1.74 109.493 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.99 -35.16 77.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.3 109.038 179.65 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.569 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.5 t-20 -59.4 -52.74 64.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.38 -0.825 . . . . 1.22 109.651 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.82 -33.24 74.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.436 -0.79 . . . . 1.72 109.884 -179.646 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.35 -51.59 68.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.27 110.106 -179.638 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.6 mt -61.23 -43.69 98.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -0.913 . . . . 0.29 109.814 -179.615 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -59.83 -38.57 82.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 1.91 109.717 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.85 -41.77 95.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.41 109.192 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.3 OUTLIER -61.6 -40.53 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 1.56 108.89 179.625 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.88 -35.08 63.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.622 -0.674 . . . . 1.43 109.492 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.84 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.301 -0.874 . . . . 0.66 109.289 179.815 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.471 ' OE1' HD21 ' B' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.437 -0.789 . . . . 1.18 109.521 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.31 0.576 . . . . 1.61 109.712 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.47 157.87 15.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.57 109.374 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -140.22 -174.94 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.53 109.447 -179.922 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.509 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.9 p -153.12 159.63 42.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.119 -0.988 . . . . 0.38 109.681 -179.737 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.5 tp -148.12 130.29 15.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.36 109.433 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 37.9 tt0 -87.16 130.95 34.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 1.36 109.667 -179.816 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.93 118.85 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.49 109.403 179.733 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.18 136.41 42.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 2.1 109.68 179.907 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 103.09 129.89 6.8 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.44 109.916 179.659 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 55.6 ttt180 -74.77 -54.7 6.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -1.113 . . . . 2.72 109.465 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.16 -45.84 86.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 2.21 109.476 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -60.66 -41.86 95.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.287 -0.883 . . . . 2.79 109.251 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.8 t80 -55.8 -55.92 26.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.603 -0.685 . . . . 0.45 109.903 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.86 -33.72 17.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 1.68 110.039 -179.535 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.81 -49.24 75.74 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.161 -0.962 . . . . 0.43 109.764 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 20.7 m-85 -61.65 -50.77 71.18 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.173 -0.955 . . . . 0.28 109.169 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.458 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.4 OUTLIER -50.65 -35.99 33.36 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.471 -0.768 . . . . 2.52 109.511 179.855 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 1.75 109.514 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.16 -34.93 77.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.232 -0.917 . . . . 0.31 109.045 179.742 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.604 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -59.35 -52.86 63.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.418 -0.802 . . . . 1.21 109.627 179.746 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 1.69 109.905 -179.591 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.47 -51.54 68.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.27 109.972 -179.569 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.2 mt -61.35 -43.55 98.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.3 109.75 -179.507 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.92 -38.54 82.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 1.93 109.801 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -64.77 -41.81 95.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.4 109.315 -179.722 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -40.39 94.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.426 -0.796 . . . . 1.59 108.946 179.566 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.83 -35.2 63.7 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.604 -0.685 . . . . 1.43 109.55 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.85 88.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.227 -0.921 . . . . 0.65 109.323 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.451 ' OE1' HD21 ' A' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.354 -0.841 . . . . 1.19 109.55 179.803 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.186 0.517 . . . . 2.11 109.674 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.85 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.64 109.36 179.808 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.3 m-85 -140.25 -174.95 4.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.49 109.429 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.9 p -153.08 159.76 42.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.073 -1.017 . . . . 0.47 109.736 -179.751 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.5 tp -148.22 130.27 15.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 0.42 109.349 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 37.9 tt0 -87.05 131.05 34.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 1.81 109.654 -179.874 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' C' ' 341' ' ' PHE . 50.6 mt -124.02 118.86 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.42 109.416 179.654 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 0.1 OUTLIER -74.16 136.45 42.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 2.35 109.574 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 103.14 129.87 6.79 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.929 -1.268 . . . . 0.41 109.929 179.679 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 55.7 ttt180 -74.89 -54.72 6.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.225 -1.162 . . . . 2.59 109.389 179.76 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.09 -45.89 86.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 2.54 109.484 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.7 OUTLIER -60.76 -41.7 96.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.31 -0.869 . . . . 3.39 109.283 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 329' ' ' THR . 61.8 t80 -55.98 -55.94 26.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.548 -0.72 . . . . 0.47 109.768 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.83 -33.74 17.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 1.66 110.025 -179.545 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.86 -49.19 75.83 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.08 -1.013 . . . . 0.61 109.768 -179.711 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 21.1 m-85 -61.59 -50.76 71.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.255 -0.903 . . . . 0.33 109.235 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.457 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.95 32.82 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 3.28 109.614 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.14 -48.66 80.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.78 109.436 -179.914 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.07 -35.05 77.5 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.243 -0.911 . . . . 0.38 109.044 179.739 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.58 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.31 -52.87 63.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.493 -0.754 . . . . 1.2 109.649 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.18 74.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 2.12 109.962 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.42 -51.59 68.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.26 110.005 -179.655 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.554 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.0 mt -61.33 -43.46 98.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.887 . . . . 0.4 109.803 -179.518 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.92 -38.62 82.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.948 . . . . 2.09 109.774 -179.921 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.698 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.82 -41.71 95.54 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.273 -0.892 . . . . 0.75 109.353 -179.711 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -40.4 94.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 2.19 108.923 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.83 -35.23 63.72 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.607 -0.683 . . . . 1.34 109.421 179.92 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.8 87.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.72 109.25 179.9 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' D' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.387 -0.821 . . . . 1.8 109.56 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.303 0.573 . . . . 1.67 109.638 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.86 15.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.093 -1.004 . . . . 0.61 109.34 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.5 m-85 -140.31 -174.91 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.197 -0.94 . . . . 0.56 109.432 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.9 p -153.03 159.73 42.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.103 -0.998 . . . . 0.43 109.621 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -148.22 130.21 15.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.35 109.463 -179.89 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.89 34.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.911 . . . . 1.37 109.658 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 50.5 mt -123.91 118.82 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 0.48 109.451 179.694 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 0.1 OUTLIER -74.06 136.32 43.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.081 -1.012 . . . . 2.08 109.61 179.979 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 103.17 130.01 6.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.839 -1.304 . . . . 0.4 109.839 179.611 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 55.7 ttt180 -75.0 -54.52 7.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -1.126 . . . . 2.64 109.525 179.778 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.27 -45.84 87.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 2.22 109.491 179.906 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.7 OUTLIER -60.64 -41.81 95.67 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.236 -0.915 . . . . 2.74 109.255 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' B' ' 329' ' ' THR . 61.6 t80 -55.94 -55.93 26.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.43 109.811 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.76 -33.8 17.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.69 110.041 -179.567 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.75 -49.16 76.1 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.136 -0.978 . . . . 0.43 109.818 -179.648 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.8 m-85 -61.74 -50.68 71.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.27 109.145 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.463 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.69 -35.91 33.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.44 -0.787 . . . . 2.45 109.519 179.89 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.19 -48.58 81.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.165 -0.959 . . . . 1.75 109.454 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.01 -35.2 77.83 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.202 -0.936 . . . . 0.31 109.004 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.614 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.6 t-20 -59.45 -52.77 64.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.423 -0.798 . . . . 1.22 109.621 179.858 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.84 -33.06 74.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.358 -0.839 . . . . 1.73 109.947 -179.662 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -51.56 68.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.28 109.981 -179.654 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.6 mt -61.31 -43.53 98.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.31 -0.869 . . . . 0.31 109.837 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -59.9 -38.56 82.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.354 -0.842 . . . . 1.91 109.794 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.686 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -64.76 -41.78 95.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 0.43 109.267 -179.689 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.3 OUTLIER -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 1.57 108.996 179.562 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.85 -35.09 63.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.585 -0.697 . . . . 1.44 109.532 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.89 87.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 0.64 109.234 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.489 ' OE1' HD21 ' C' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 1.21 109.48 179.832 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.507 -0.553 . . . . 1.7 109.507 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 25.1 m-85 -93.34 154.58 17.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.61 109.307 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.34 -168.92 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.173 -0.954 . . . . 0.58 109.734 -179.708 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.5 p -153.15 157.75 40.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.42 109.295 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -149.41 136.08 19.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 0.36 109.52 -179.729 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.6 OUTLIER -85.84 130.79 34.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 1.37 109.365 -179.996 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.4 mt -123.86 112.49 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.47 109.557 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.3 41.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 2.1 109.471 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 138.28 8.01 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.755 -1.338 . . . . 0.42 109.755 179.838 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 31.5 ttm180 -80.7 -58.48 3.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.351 -1.088 . . . . 2.68 109.47 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.72 -43.68 85.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.22 109.452 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.42 -43.5 96.68 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 2.77 109.302 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.492 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -55.35 -56.4 20.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.43 109.546 179.897 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.44 -34.98 37.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.66 110.001 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.93 -48.65 77.99 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.072 -1.018 . . . . 0.44 109.95 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.31 -46.47 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.185 -0.947 . . . . 0.29 109.152 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -41.51 63.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 2.44 109.736 179.805 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.38 81.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.249 -0.907 . . . . 1.74 110.051 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' B' ' 344' ' ' LEU . 46.1 mt -61.61 -34.12 75.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.986 . . . . 0.3 108.925 179.9 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.552 ' HB2' HD21 ' C' ' 330' ' ' LEU . 25.9 t-20 -59.77 -57.74 11.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.398 -0.814 . . . . 1.22 109.432 179.715 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 1.72 109.891 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -52.95 63.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.931 . . . . 0.27 109.811 -179.667 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.44 -38.52 87.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.29 109.437 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.21 -38.06 82.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 1.91 109.667 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 9.8 tp -63.69 -46.52 85.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.41 109.609 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HE3' ' HG3' ' B' ' 346' ' ' GLU . 12.1 ttmm -61.3 -36.16 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 1.56 109.039 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -56.82 -35.99 69.44 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 1.43 109.757 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.78 -49.89 64.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.66 109.591 -179.847 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.18 109.728 179.992 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.265 0.555 . . . . 1.61 109.514 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.7 m-85 -93.4 154.75 17.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.57 109.315 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.3 m-85 -139.45 -169.0 2.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.256 -0.902 . . . . 0.53 109.717 -179.664 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.408 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.5 p -153.18 157.66 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.38 109.365 -179.899 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.9 tp -149.24 136.12 19.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.36 109.573 -179.628 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.89 130.66 34.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 1.36 109.455 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.2 mt -123.73 112.49 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.49 109.578 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.3 151.31 41.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 2.1 109.433 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.1 7.94 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.756 -1.338 . . . . 0.44 109.756 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.5 ttm180 -80.46 -58.44 3.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -1.088 . . . . 2.72 109.642 179.919 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.82 -43.57 85.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 2.21 109.51 179.924 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 4.2 ttm180 -60.38 -43.58 96.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.237 -0.914 . . . . 2.79 109.385 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' B' ' 332' ' ' ILE . 40.8 t80 -55.3 -56.41 20.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.45 109.579 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.37 -34.99 36.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 1.68 110.006 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.97 -48.68 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.099 -1.001 . . . . 0.43 109.943 -179.48 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.8 m-85 -61.29 -46.38 90.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.116 -0.99 . . . . 0.28 109.21 -179.922 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -41.4 63.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.429 -0.794 . . . . 2.52 109.792 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.54 -48.32 82.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 1.75 109.943 -179.532 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' A' ' 344' ' ' LEU . 46.3 mt -61.72 -34.02 75.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.31 108.979 179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 26.0 t-20 -59.7 -57.71 11.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.434 -0.791 . . . . 1.21 109.494 179.61 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.407 ' HG3' ' HE3' ' A' ' 351' ' ' LYS . 12.7 pt-20 -62.7 -27.38 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 1.69 109.848 -179.771 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.84 -53.12 61.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.169 -0.957 . . . . 0.27 109.763 -179.652 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 62.4 mt -61.43 -38.5 87.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 0.3 109.384 -179.744 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.15 -38.01 81.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.93 109.695 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.7 tp -63.75 -46.55 84.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.349 -0.844 . . . . 0.4 109.527 -179.765 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.1 ttmm -61.3 -36.18 79.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.463 -0.773 . . . . 1.59 109.084 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -56.7 -36.11 69.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 1.43 109.731 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -50.02 64.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.65 109.579 -179.761 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 1.19 109.73 179.927 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.366 0.603 . . . . 2.11 109.443 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.2 m-85 -93.34 154.76 17.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.64 109.32 179.877 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.3 m-85 -139.5 -169.02 2.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.246 -0.909 . . . . 0.49 109.812 -179.684 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.6 p -153.11 157.72 40.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.47 109.316 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 345' ' ' ASN . 23.7 tp -149.36 136.1 19.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.202 -0.936 . . . . 0.42 109.565 -179.709 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -85.87 130.79 34.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 1.81 109.41 179.994 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 31.5 mt -123.87 112.46 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.195 -0.941 . . . . 0.42 109.441 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.27 41.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.413 -0.804 . . . . 2.35 109.527 179.767 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 138.08 7.89 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.764 -1.334 . . . . 0.41 109.764 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.443 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 31.5 ttm180 -80.47 -58.44 3.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 2.59 109.545 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.71 -43.66 85.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.357 -0.839 . . . . 2.54 109.437 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -60.42 -43.53 96.65 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.242 -0.911 . . . . 3.39 109.287 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -55.45 -56.25 22.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.476 -0.765 . . . . 0.47 109.547 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -51.46 -35.0 37.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.66 109.964 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.86 -48.86 77.21 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.039 -1.038 . . . . 0.61 109.846 -179.436 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -61.18 -46.47 90.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.946 . . . . 0.33 109.193 -179.918 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.46 63.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 3.28 109.71 179.873 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.47 -48.35 81.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.207 -0.933 . . . . 1.78 110.037 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' D' ' 344' ' ' LEU . 45.7 mt -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.005 . . . . 0.38 109.055 179.847 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.514 ' HB2' HD21 ' A' ' 330' ' ' LEU . 25.9 t-20 -59.63 -57.7 11.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.504 -0.747 . . . . 1.2 109.504 179.606 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.71 -27.37 69.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.537 -0.727 . . . . 2.12 109.872 -179.711 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.93 -53.04 62.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.138 -0.976 . . . . 0.26 109.78 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.36 -38.58 87.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.4 109.419 -179.824 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.22 -37.92 81.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -0.878 . . . . 2.09 109.667 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.74 -46.57 84.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.874 . . . . 0.75 109.627 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -61.16 -36.21 79.2 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.359 -0.838 . . . . 2.19 109.146 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -56.86 -36.03 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 1.34 109.712 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -50.0 64.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.277 -0.889 . . . . 0.72 109.571 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 1.8 109.695 -179.975 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.516 -0.55 . . . . 1.67 109.516 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.2 m-85 -93.37 154.67 17.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.61 109.35 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 78.1 m-85 -139.39 -169.03 2.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.56 109.718 -179.65 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.5 p -153.18 157.7 40.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.43 109.216 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 24.0 tp -149.24 136.17 19.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.169 -0.957 . . . . 0.35 109.576 -179.74 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.97 130.8 34.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 1.37 109.358 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.8 mt -123.84 112.54 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.48 109.511 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.19 151.27 41.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.259 -0.901 . . . . 2.08 109.474 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.2 7.99 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.74 -1.344 . . . . 0.4 109.74 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 31.5 ttm180 -80.61 -58.55 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 2.64 109.518 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.68 -43.68 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 2.22 109.504 179.929 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.497 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 4.3 ttm180 -60.32 -43.55 96.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.257 -0.902 . . . . 2.74 109.333 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' D' ' 332' ' ' ILE . 40.4 t80 -55.41 -56.34 21.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.439 -0.788 . . . . 0.43 109.482 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -51.52 -34.84 37.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 1.69 109.994 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -62.91 -48.88 77.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.063 -1.023 . . . . 0.43 109.893 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.1 m-85 -61.19 -46.4 90.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.936 . . . . 0.27 109.205 -179.907 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -41.49 63.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 2.45 109.775 179.844 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.35 81.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 1.75 110.035 -179.57 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' C' ' 344' ' ' LEU . 46.1 mt -61.69 -34.01 75.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.91 . . . . 0.31 109.013 179.845 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HB2' HD21 ' B' ' 330' ' ' LEU . 25.9 t-20 -59.69 -57.74 11.63 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.4 -0.813 . . . . 1.22 109.514 179.601 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.67 -27.3 69.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 1.73 109.92 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.01 62.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.28 109.717 -179.605 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 62.2 mt -61.39 -38.61 87.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.272 -0.893 . . . . 0.31 109.384 -179.799 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -37.95 81.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.91 109.749 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.83 -46.48 84.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.43 109.566 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.31 -36.14 79.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 1.57 109.105 179.808 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.76 -36.09 69.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.577 -0.702 . . . . 1.44 109.801 179.796 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -49.98 64.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.214 -0.929 . . . . 0.64 109.668 -179.882 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.362 -0.836 . . . . 1.21 109.615 -179.991 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.365 0.602 . . . . 1.7 109.769 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.8 153.2 18.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -0.933 . . . . 0.61 109.386 179.6 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.3 m-85 -140.26 -175.19 4.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.58 109.275 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 8.5 p -152.65 162.61 41.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.086 -1.009 . . . . 0.42 109.557 -179.684 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' C' ' 345' ' ' ASN . 44.2 tp -149.42 133.78 17.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.36 109.457 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.51 130.53 34.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.921 . . . . 1.37 109.483 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.7 mt -123.86 111.98 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.47 109.454 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.48 150.06 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 2.1 109.611 179.844 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.74 2.26 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -70.9 -50.44 34.92 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -1.124 . . . . 2.68 109.734 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.91 -47.98 81.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.21 -0.931 . . . . 2.22 109.649 -179.806 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.05 -39.3 85.48 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.242 -0.912 . . . . 2.77 109.629 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 332' ' ' ILE . 54.1 t80 -55.36 -53.15 59.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.357 -0.839 . . . . 0.43 109.699 -179.814 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.91 -37.36 43.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -0.862 . . . . 1.66 109.914 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.67 -47.46 83.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.18 -0.95 . . . . 0.44 110.116 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.84 -51.25 70.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.29 109.503 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -50.93 -35.22 32.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.377 -0.827 . . . . 2.44 109.823 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.08 -52.5 64.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.003 . . . . 1.74 110.027 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 72.8 mt -60.5 -34.62 74.34 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.105 -0.997 . . . . 0.3 109.17 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.492 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.3 t-20 -59.18 -52.42 65.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 1.22 109.472 179.483 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.24 -29.91 71.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.42 -0.8 . . . . 1.72 109.836 -179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.96 -55.94 24.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.27 109.962 -179.735 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.01 -42.18 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.29 109.614 -179.542 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.31 -36.86 76.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.91 109.691 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.787 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -66.11 -36.99 84.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.41 109.21 -179.873 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.483 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.59 -46.66 89.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.699 -0.852 . . . . 1.56 108.699 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -31.14 62.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.609 -0.682 . . . . 1.43 109.357 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.66 109.521 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.547 ' OE1' HD21 ' B' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.18 109.372 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.233 0.54 . . . . 1.61 109.764 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.69 153.18 18.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.34 -0.85 . . . . 0.57 109.357 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 63.8 m-85 -140.26 -175.12 4.14 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.188 -0.945 . . . . 0.53 109.211 179.707 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 8.6 p -152.69 162.69 40.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.091 -1.006 . . . . 0.38 109.632 -179.777 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' D' ' 345' ' ' ASN . 44.0 tp -149.46 133.82 17.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.384 -0.823 . . . . 0.36 109.334 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.61 130.5 34.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.36 109.488 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 338' ' ' PHE . 43.3 mt -123.8 111.93 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.191 -0.943 . . . . 0.49 109.564 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.51 150.11 41.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 2.1 109.505 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 123.83 2.28 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.795 -1.322 . . . . 0.44 109.795 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -71.08 -50.47 33.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -1.08 . . . . 2.72 109.66 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.78 -48.09 80.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.922 . . . . 2.21 109.631 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.19 -39.28 85.94 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.311 -0.868 . . . . 2.79 109.528 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.523 ' CD1' HD12 ' B' ' 332' ' ' ILE . 54.0 t80 -55.26 -53.26 58.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.45 109.728 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.76 -37.45 42.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 1.68 109.921 -179.686 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.63 -47.42 83.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.166 -0.959 . . . . 0.43 110.12 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.91 -51.25 70.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.28 109.412 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.96 -35.27 32.69 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.337 -0.852 . . . . 2.52 109.755 179.978 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.06 -52.61 64.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 1.75 109.996 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 72.8 mt -60.44 -34.57 74.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.31 109.143 -179.905 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.496 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.2 t-20 -59.33 -52.31 66.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.394 -0.816 . . . . 1.21 109.406 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.35 -29.77 71.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.38 -0.825 . . . . 1.69 109.764 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.09 -55.86 24.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.17 -0.956 . . . . 0.27 109.926 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.05 -42.21 98.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.3 109.645 -179.571 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.28 -36.93 76.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.93 109.643 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -66.03 -37.06 84.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -0.895 . . . . 0.4 109.128 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.533 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.1 tppp? -60.58 -46.74 89.1 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.653 -0.869 . . . . 1.59 108.653 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.9 -31.15 62.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.681 -0.637 . . . . 1.43 109.328 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.68 80.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.65 109.558 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.558 ' OE1' HD21 ' A' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 1.19 109.415 179.827 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.234 0.54 . . . . 2.11 109.79 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -97.71 153.23 18.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.64 109.347 179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.2 m-85 -140.35 -175.22 4.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.223 -0.923 . . . . 0.49 109.298 179.745 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 8.5 p -152.7 162.7 40.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.47 109.558 -179.691 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 345' ' ' ASN . 43.8 tp -149.51 133.76 17.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.305 -0.872 . . . . 0.42 109.412 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.57 130.49 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 1.81 109.509 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.9 mt -123.8 112.05 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.42 109.529 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.54 150.11 41.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 2.35 109.531 179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 123.95 2.3 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -71.19 -50.47 32.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -1.123 . . . . 2.59 109.575 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.93 -47.75 81.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 2.54 109.701 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.34 -39.23 86.37 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.348 -0.845 . . . . 3.39 109.535 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.7 t80 -55.48 -53.05 61.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.374 -0.829 . . . . 0.47 109.719 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.85 -37.5 43.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 1.66 109.877 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.65 -47.45 83.65 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.181 -0.949 . . . . 0.61 110.049 -179.339 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.81 -51.32 69.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.168 -0.958 . . . . 0.33 109.458 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.87 -35.32 32.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.895 . . . . 3.28 109.755 179.93 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.97 -52.58 64.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.12 -0.988 . . . . 1.78 109.993 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' D' ' 344' ' ' LEU . 72.3 mt -60.54 -34.55 74.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.38 109.101 -179.787 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.26 -52.41 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.848 . . . . 1.2 109.454 179.568 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.18 -29.85 71.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 2.12 109.848 -179.871 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.06 -55.86 24.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.26 109.946 -179.679 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.03 -42.15 97.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.356 -0.84 . . . . 0.4 109.666 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.36 -36.91 76.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 2.09 109.616 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.769 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -66.04 -36.99 84.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 0.75 109.16 -179.848 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.621 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.64 -46.68 89.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.745 -0.835 . . . . 2.19 108.745 179.551 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 -31.2 62.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.605 -0.684 . . . . 1.34 109.398 179.415 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.85 81.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.374 -0.829 . . . . 0.72 109.583 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' D' ' 350' ' ' LEU . 9.5 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 1.8 109.398 179.897 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.342 0.592 . . . . 1.67 109.751 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.71 153.25 18.37 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.945 . . . . 0.61 109.391 179.558 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 63.9 m-85 -140.44 -175.19 4.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.56 109.179 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.0 p -152.67 162.64 40.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.125 -0.984 . . . . 0.43 109.678 -179.642 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' B' ' 345' ' ' ASN . 43.8 tp -149.46 133.81 17.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.35 109.349 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.56 130.6 34.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.258 -0.901 . . . . 1.37 109.505 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' D' ' 338' ' ' PHE . 43.5 mt -123.94 112.01 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.18 -0.95 . . . . 0.48 109.435 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -73.5 149.94 41.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 2.08 109.545 179.883 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.14 123.77 2.31 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.694 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -70.96 -50.49 33.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -1.115 . . . . 2.64 109.635 179.969 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.94 -47.79 81.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.281 -0.887 . . . . 2.22 109.719 -179.74 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.25 -39.26 86.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.262 -0.899 . . . . 2.74 109.616 -179.863 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.52 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.5 t80 -55.39 -53.15 59.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.43 109.712 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -37.46 42.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 1.69 109.925 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -62.61 -47.37 84.06 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.3 -0.875 . . . . 0.43 110.13 -179.358 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.99 -51.16 70.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.135 -0.978 . . . . 0.27 109.416 -179.766 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -51.06 -35.24 33.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.84 . . . . 2.45 109.73 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.94 -52.72 63.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 1.75 109.978 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' C' ' 344' ' ' LEU . 72.4 mt -60.37 -34.67 74.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.31 109.172 -179.881 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.457 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.3 t-20 -59.26 -52.3 66.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 1.22 109.426 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.31 -29.89 71.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.73 109.802 -179.819 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.98 -55.9 24.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.28 109.953 -179.672 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.11 -42.18 98.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.223 -0.923 . . . . 0.31 109.523 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -59.38 -36.89 76.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.32 -0.862 . . . . 1.91 109.632 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.774 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -66.04 -36.97 84.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.43 109.231 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.1 tppp? -60.54 -46.77 88.96 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.694 -0.854 . . . . 1.57 108.694 179.47 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.91 -31.25 62.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.604 -0.685 . . . . 1.44 109.319 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.72 80.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.87 . . . . 0.64 109.524 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.614 ' OE1' HD21 ' C' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 1.21 109.407 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.239 0.542 . . . . 1.7 109.542 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 9.4 m-85 -96.05 160.78 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.334 -0.854 . . . . 0.61 109.656 179.924 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 329' ' ' THR . 97.5 m-85 -137.8 -169.53 2.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.105 -0.997 . . . . 0.58 109.424 179.97 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 22.0 p -154.17 154.48 33.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.96 . . . . 0.42 109.498 -179.829 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' C' ' 345' ' ' ASN . 21.1 tp -146.8 133.95 20.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.36 109.588 -179.831 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -86.67 129.5 34.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.805 . . . . 1.37 109.747 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.1 mt -124.12 109.63 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.47 109.388 179.68 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 1.9 ttt-85 -73.24 153.82 40.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 2.1 109.689 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.64 133.6 6.41 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.703 -1.359 . . . . 0.42 109.703 179.681 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttm180 -68.84 -57.62 5.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.43 -1.041 . . . . 2.68 109.496 179.846 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.43 -39.88 81.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 2.22 109.613 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.12 -48.34 80.5 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.209 -0.932 . . . . 2.77 109.949 -179.761 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' C' ' 329' ' ' THR . 19.1 t80 -55.1 -60.19 3.72 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.41 -0.806 . . . . 0.43 109.807 -179.853 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.46 -34.12 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 1.66 110.065 -179.69 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.24 -51.49 63.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.117 -0.99 . . . . 0.44 110.248 -179.314 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.714 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.9 m-85 -61.56 -54.67 39.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.141 -0.975 . . . . 0.29 109.346 -179.733 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.96 -34.08 19.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.45 -0.781 . . . . 2.44 109.53 179.826 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.81 -51.45 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 1.74 109.747 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' B' ' 344' ' ' LEU . 64.5 mt -60.99 -34.46 74.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.148 -0.97 . . . . 0.3 109.141 179.766 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.554 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.5 t-20 -59.19 -53.84 53.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.456 -0.778 . . . . 1.22 109.61 179.72 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.61 -31.1 72.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.414 -0.804 . . . . 1.72 109.995 -179.763 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.09 -55.77 28.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.24 -0.912 . . . . 0.27 109.942 -179.715 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.06 -43.55 98.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.887 . . . . 0.29 109.627 -179.689 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.46 -33.33 71.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.233 -0.917 . . . . 1.91 109.478 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 10.4 tp -65.15 -44.53 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.256 -0.902 . . . . 0.41 109.206 179.914 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.55 -48.84 79.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.479 -0.763 . . . . 1.56 109.147 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.79 -33.29 66.52 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.566 -0.709 . . . . 1.43 109.734 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.72 82.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.66 109.702 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.24 -0.912 . . . . 1.18 109.59 -179.852 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.48 -0.563 . . . . 1.61 109.48 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -96.11 160.72 14.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.57 109.558 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 97.5 m-85 -137.76 -169.41 2.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.53 109.44 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 22.2 p -154.18 154.63 33.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.17 -0.956 . . . . 0.38 109.517 -179.867 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.6 tp -146.96 133.9 20.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.36 109.627 -179.814 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 28.8 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.461 -0.774 . . . . 1.36 109.712 -179.716 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.1 mt -123.98 109.69 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.49 109.386 179.701 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.504 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.9 ttt-85 -73.38 153.64 40.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 2.1 109.696 -179.888 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.67 133.47 6.37 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.843 -1.303 . . . . 0.44 109.843 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.73 -57.62 5.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -1.092 . . . . 2.72 109.518 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.27 -40.07 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -0.88 . . . . 2.21 109.564 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.01 -48.47 79.94 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.266 -0.896 . . . . 2.79 109.913 -179.701 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 19.3 t80 -55.09 -60.09 3.85 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.37 -0.831 . . . . 0.45 109.783 -179.753 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.45 -34.26 24.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.68 110.009 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.21 -51.45 63.65 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.243 -0.91 . . . . 0.43 110.301 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.715 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.7 m-85 -61.55 -54.76 38.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.136 -0.977 . . . . 0.28 109.334 -179.744 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.76 -34.19 18.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 2.52 109.505 179.8 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -60.82 -51.42 69.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 1.75 109.782 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' A' ' 344' ' ' LEU . 65.4 mt -60.96 -34.53 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 0.31 109.108 179.819 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.516 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.5 t-20 -59.08 -53.92 52.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.391 -0.818 . . . . 1.21 109.591 179.699 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.58 -31.04 72.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.385 -0.822 . . . . 1.69 110.033 -179.732 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.27 -55.73 28.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.27 109.882 -179.617 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.98 -43.6 98.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 0.3 109.64 -179.706 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.46 -33.29 71.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 1.93 109.465 179.908 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.08 -44.46 88.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.914 . . . . 0.4 109.338 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 17.7 ttmm -61.75 -48.8 79.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 1.59 109.073 179.749 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -56.77 -33.28 66.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.741 . . . . 1.43 109.777 179.745 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.62 82.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.65 109.725 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.19 109.691 -179.922 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.264 0.554 . . . . 2.11 109.573 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 9.4 m-85 -95.99 160.99 14.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.207 -0.933 . . . . 0.64 109.506 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.4 m-85 -138.05 -169.65 2.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.49 109.424 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 22.0 p -154.11 154.51 33.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.47 109.551 -179.936 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.3 tp -146.72 133.84 20.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.42 109.612 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 28.5 tt0 -86.7 129.45 34.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 1.81 109.685 -179.757 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' C' ' 341' ' ' PHE . 30.8 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.21 -0.931 . . . . 0.42 109.347 179.661 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.498 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.0 ttt-85 -73.36 153.86 40.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.35 109.647 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.54 133.35 6.27 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.758 -1.337 . . . . 0.41 109.758 179.621 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.63 -57.67 5.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.242 -1.152 . . . . 2.59 109.448 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.37 -39.85 80.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 2.54 109.62 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.446 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.1 -48.42 80.25 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.234 -0.917 . . . . 3.39 109.803 -179.696 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 329' ' ' THR . 19.4 t80 -55.27 -59.97 4.04 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.387 -0.821 . . . . 0.47 109.816 -179.691 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.49 -34.19 24.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.308 -0.87 . . . . 1.66 110.039 -179.771 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -64.16 -51.58 63.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.093 -1.005 . . . . 0.61 110.256 -179.306 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.5 m-85 -61.56 -54.65 40.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.235 -0.916 . . . . 0.33 109.354 -179.677 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.0 -34.0 19.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.375 -0.828 . . . . 3.28 109.472 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.88 -51.38 69.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.16 -0.963 . . . . 1.78 109.711 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.11 -34.43 74.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.38 109.037 179.84 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.506 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.5 t-20 -59.09 -53.94 52.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.502 -0.748 . . . . 1.2 109.529 179.738 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.64 -31.16 72.25 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.347 -0.845 . . . . 2.12 109.897 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.14 -55.72 29.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 0.26 109.924 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.01 -43.66 98.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.42 -0.8 . . . . 0.4 109.584 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.43 -33.3 71.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 2.09 109.507 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.13 -44.4 88.79 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.75 109.311 179.819 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -48.88 78.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.512 -0.743 . . . . 2.19 109.03 179.767 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.64 -33.37 66.25 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.496 -0.752 . . . . 1.34 109.682 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.67 82.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.72 109.747 -179.661 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.483 ' OE1' HD11 ' D' ' 350' ' ' LEU . 33.7 mt-30 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.189 -0.944 . . . . 1.8 109.703 -179.915 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.251 0.548 . . . . 1.67 109.552 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 9.3 m-85 -95.95 160.73 14.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.61 109.59 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.423 ' O ' HG23 ' D' ' 329' ' ' THR . 97.5 m-85 -137.75 -169.53 2.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.161 -0.962 . . . . 0.56 109.498 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 22.0 p -154.16 154.6 33.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.43 109.509 -179.854 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.4 tp -146.92 133.94 20.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.22 -0.925 . . . . 0.35 109.628 -179.836 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 28.5 tt0 -86.62 129.38 34.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.856 . . . . 1.37 109.714 -179.743 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.1 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.859 . . . . 0.48 109.381 179.615 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.492 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.9 ttt-85 -73.42 153.71 40.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.273 -0.892 . . . . 2.08 109.709 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.63 133.23 6.26 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.828 -1.309 . . . . 0.4 109.828 179.703 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -68.46 -57.69 5.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -1.103 . . . . 2.64 109.571 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.25 -40.01 80.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.413 -0.804 . . . . 2.22 109.621 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.287 -0.883 . . . . 2.74 109.9 -179.63 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 19.3 t80 -55.16 -60.02 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.488 -0.758 . . . . 0.43 109.878 -179.808 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.56 -34.22 24.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 1.69 109.939 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.17 -51.42 63.88 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.107 -0.996 . . . . 0.43 110.296 -179.328 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -61.59 -54.72 39.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 0.27 109.323 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -49.95 -34.0 19.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 2.45 109.573 179.854 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.85 -51.39 69.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.063 -1.023 . . . . 1.75 109.778 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -61.05 -34.38 74.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.31 109.156 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.518 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.5 t-20 -59.12 -53.9 53.11 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.354 -0.841 . . . . 1.22 109.648 179.642 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.68 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.826 . . . . 1.73 109.937 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.16 -55.86 27.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.28 109.854 -179.656 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.99 -43.48 98.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.376 -0.827 . . . . 0.31 109.669 -179.699 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.44 -33.34 71.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 1.91 109.432 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.483 HD11 ' OE1' ' C' ' 354' ' ' GLN . 10.5 tp -65.11 -44.49 88.58 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.43 109.273 179.875 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.739 . . . . 1.57 109.113 179.755 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.62 -33.35 66.19 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.59 -0.694 . . . . 1.44 109.719 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.61 82.61 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.64 109.681 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.21 109.613 -179.946 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.264 -0.643 . . . . 1.7 109.264 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' HB3' ' CD ' ' C' ' 331' ' ' GLN . 42.3 m-85 -93.07 160.33 14.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.61 109.559 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.1 2.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 0.58 109.389 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.6 p -155.35 151.84 28.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 0.42 109.487 -179.873 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -147.24 131.42 17.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.226 -0.921 . . . . 0.36 109.47 -179.626 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.9 tt0 -86.67 134.01 33.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.89 . . . . 1.37 109.726 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.8 mt -124.15 115.15 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.47 109.359 179.563 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.92 44.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 2.1 109.731 179.9 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.57 135.04 8.51 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.868 -1.293 . . . . 0.42 109.868 179.639 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 39.8 ttm180 -71.06 -56.94 5.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.458 -1.025 . . . . 2.68 109.569 179.877 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.31 -39.54 79.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -0.864 . . . . 2.22 109.577 -179.894 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.466 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.73 -46.36 84.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.128 -0.983 . . . . 2.77 109.904 -179.579 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.8 t80 -55.23 -59.13 5.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.43 109.713 -179.73 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.24 -35.9 39.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 1.66 110.05 -179.571 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.22 -49.96 72.12 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.23 -0.919 . . . . 0.44 110.35 -179.036 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.0 m-85 -62.4 -51.6 66.93 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.103 -0.998 . . . . 0.29 109.338 -179.648 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -50.22 -36.33 30.36 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.776 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.91 -50.13 74.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.032 -1.042 . . . . 1.74 109.638 -179.695 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' B' ' 344' ' ' LEU . 95.9 mt -61.7 -33.16 73.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.231 -0.918 . . . . 0.3 108.995 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.62 -55.6 32.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 1.22 109.671 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.59 -31.8 73.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 1.72 110.122 -179.422 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -57.55 12.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.109 -0.994 . . . . 0.27 110.025 -179.605 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.72 -41.36 95.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.29 109.642 -179.435 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.42 -34.49 74.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.235 -0.916 . . . . 1.91 109.735 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.2 tt -65.7 -46.5 78.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.41 109.476 -179.485 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.2 -40.08 92.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.56 108.945 179.694 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.59 -32.49 65.28 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.602 -0.686 . . . . 1.43 109.747 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.33 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.66 109.556 -179.763 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 1.18 109.679 179.841 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.317 -0.623 . . . . 1.61 109.317 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 41.8 m-85 -93.1 160.18 14.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.199 -0.938 . . . . 0.57 109.511 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 99.5 m-85 -137.08 -168.37 2.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.53 109.429 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -155.1 151.89 28.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -0.958 . . . . 0.38 109.547 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -147.14 131.67 17.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.36 109.507 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.8 tt0 -86.99 133.82 33.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 1.36 109.653 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' B' ' 341' ' ' PHE . 37.7 mt -124.04 115.33 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.49 109.361 179.586 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 145.93 43.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.169 -0.957 . . . . 2.1 109.587 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.84 8.43 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.887 -1.285 . . . . 0.44 109.887 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 39.9 ttm180 -70.95 -56.97 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.72 109.571 179.869 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.18 -39.57 79.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 2.21 109.677 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.69 -46.32 84.47 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.33 -0.856 . . . . 2.79 109.942 -179.566 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.8 t80 -55.29 -59.11 5.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.37 -0.831 . . . . 0.45 109.702 -179.718 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.32 -35.84 39.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 1.68 110.038 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.2 -50.08 71.71 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.159 -0.963 . . . . 0.43 110.298 -179.075 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.2 m-85 -62.38 -51.48 67.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.072 . . . . 0.28 109.409 -179.646 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.21 -36.53 31.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.38 -0.825 . . . . 2.52 109.742 179.922 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.82 -50.11 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.077 -1.014 . . . . 1.75 109.665 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 344' ' ' LEU . 95.9 mt -61.76 -33.16 73.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.31 108.997 179.827 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.49 -55.72 31.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -0.8 . . . . 1.21 109.616 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.57 -31.6 72.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -0.835 . . . . 1.69 110.131 -179.373 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.32 -57.46 12.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.27 110.054 -179.547 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.8 -41.23 95.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.3 109.649 -179.465 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.48 -34.52 74.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.93 109.706 -179.965 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.2 tt -65.67 -46.47 78.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.921 . . . . 0.4 109.533 -179.514 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.22 -40.0 92.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 1.59 108.976 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.63 -32.6 65.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.684 -0.635 . . . . 1.43 109.606 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -53.36 35.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.65 109.637 -179.799 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.314 -0.866 . . . . 1.19 109.623 179.846 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.298 -0.63 . . . . 2.11 109.298 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.409 ' HB3' ' CD ' ' A' ' 331' ' ' GLN . 42.8 m-85 -93.18 160.35 14.88 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.121 -0.987 . . . . 0.64 109.499 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.505 ' O ' HG23 ' C' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.18 2.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.49 109.302 -179.905 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.7 p -155.35 151.78 28.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.47 109.526 -179.923 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.1 131.4 17.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.42 109.484 -179.585 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.9 tt0 -86.63 133.99 33.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.81 109.733 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' C' ' 341' ' ' PHE . 37.3 mt -124.2 115.21 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 0.42 109.413 179.517 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 145.89 44.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 2.35 109.65 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.95 8.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.568 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 39.9 ttm180 -71.11 -56.86 5.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -1.045 . . . . 2.59 109.505 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.19 -39.67 79.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 2.54 109.632 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.455 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.74 -46.33 84.6 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.312 -0.868 . . . . 3.39 109.889 -179.474 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.8 t80 -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.347 -0.846 . . . . 0.47 109.723 -179.782 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.37 -35.82 40.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.898 . . . . 1.66 110.059 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.16 -50.05 71.9 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.258 -0.901 . . . . 0.61 110.318 -179.083 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.1 m-85 -62.44 -51.45 67.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.082 -1.011 . . . . 0.33 109.359 -179.611 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.31 -36.32 31.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 3.28 109.805 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.04 -49.88 75.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.045 -1.035 . . . . 1.78 109.637 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' D' ' 344' ' ' LEU . 95.9 mt -62.05 -32.97 73.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.155 -0.966 . . . . 0.38 108.9 179.842 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.66 -55.6 32.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 1.2 109.648 179.7 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.65 -31.55 72.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.446 -0.784 . . . . 2.12 110.094 -179.386 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.46 -57.49 11.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.175 -0.953 . . . . 0.26 109.894 -179.501 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.57 -41.55 94.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.4 109.607 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.35 -34.59 74.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 2.09 109.759 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.669 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.2 tt -65.58 -46.49 79.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.75 109.54 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.24 -39.96 92.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 2.19 108.987 179.703 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.67 -32.48 65.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 1.34 109.65 179.751 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.37 34.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.72 109.553 -179.725 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 1.8 109.686 179.891 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.238 -0.652 . . . . 1.67 109.238 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 41.6 m-85 -93.08 160.32 14.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 0.61 109.552 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.493 ' O ' HG23 ' D' ' 329' ' ' THR . 99.6 m-85 -137.21 -168.37 2.28 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.56 109.407 -179.967 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.569 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.8 p -155.32 151.33 27.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.43 109.529 -179.788 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.75 131.65 18.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.196 -0.94 . . . . 0.35 109.446 -179.622 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -86.86 133.85 33.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.327 -0.858 . . . . 1.37 109.604 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.5 mt -123.98 115.41 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.48 109.424 179.48 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 145.85 43.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.175 -0.953 . . . . 2.08 109.645 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.41 135.15 8.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.903 -1.279 . . . . 0.4 109.903 179.629 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 39.8 ttm180 -70.92 -57.11 4.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -1.124 . . . . 2.64 109.595 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.22 -39.57 79.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -0.909 . . . . 2.22 109.651 -179.921 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -46.39 84.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.248 -0.908 . . . . 2.74 109.885 -179.585 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -55.32 -58.93 5.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.43 109.724 -179.66 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.45 -35.86 41.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.396 -0.815 . . . . 1.69 110.032 -179.594 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.17 -50.0 72.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.124 -0.985 . . . . 0.43 110.354 -179.044 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.1 m-85 -62.29 -51.61 67.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.062 -1.024 . . . . 0.27 109.397 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -50.19 -36.51 30.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 2.45 109.686 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.94 -49.99 75.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 1.75 109.61 -179.516 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' C' ' 344' ' ' LEU . 95.9 mt -61.81 -33.1 73.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.295 -0.878 . . . . 0.31 108.965 179.805 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.67 -55.68 31.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 1.22 109.577 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.55 -31.52 72.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 1.73 110.173 -179.462 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.49 -57.51 11.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.28 109.979 -179.528 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.63 -41.37 94.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.31 109.655 -179.484 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -34.46 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 1.91 109.775 179.989 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.2 tt -65.69 -46.51 78.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.43 109.476 -179.558 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.05 -40.09 92.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 1.57 109.049 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.7 -32.49 65.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.631 -0.668 . . . . 1.44 109.624 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.34 34.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.64 109.572 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.284 -0.885 . . . . 1.21 109.705 179.759 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.279 0.561 . . . . 1.7 109.623 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.32 160.51 14.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 0.61 109.428 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.631 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.9 m-85 -140.31 -173.75 3.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.58 109.515 -179.977 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 70.2 p -153.21 157.26 39.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.42 109.549 -179.72 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.03 130.9 16.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.941 . . . . 0.36 109.414 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.5 tt0 -86.56 131.1 34.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 1.37 109.646 -179.736 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.86 115.36 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.47 109.548 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -73.33 147.53 44.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 2.1 109.466 179.93 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.06 131.6 5.85 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.784 -1.326 . . . . 0.42 109.784 179.655 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 24.4 ttp180 -74.21 -54.03 8.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.362 179.846 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.33 -43.66 88.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 2.22 109.568 179.899 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.97 -42.8 99.03 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.305 -0.872 . . . . 2.77 109.403 179.927 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.9 t80 -55.8 -53.24 59.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.786 . . . . 0.43 109.822 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.85 -36.07 35.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 1.66 109.989 -179.688 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.29 -48.8 76.59 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.463 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -61.33 -54.79 39.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.187 -0.945 . . . . 0.29 109.384 -179.755 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -50.96 -34.55 29.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 2.44 109.544 179.84 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.64 -51.12 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.177 -0.952 . . . . 1.74 109.73 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' B' ' 344' ' ' LEU . 59.9 mt -61.65 -34.36 75.57 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.182 -0.949 . . . . 0.3 109.062 179.829 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.9 t-20 -59.07 -51.58 69.43 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.415 -0.803 . . . . 1.22 109.402 179.543 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.58 74.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 1.72 109.65 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.31 -50.6 72.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 0.27 109.92 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.521 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.3 mt -61.78 -45.62 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.29 109.739 -179.585 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -35.19 73.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.983 . . . . 1.91 109.707 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.525 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 30.5 tp -65.31 -46.05 81.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.41 109.555 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.41 -38.3 86.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.278 -0.888 . . . . 1.56 108.762 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.66 -37.06 70.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.511 -0.743 . . . . 1.43 109.345 179.668 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.286 -0.883 . . . . 0.66 109.484 179.887 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.18 109.648 179.896 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.226 0.536 . . . . 1.61 109.597 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -93.31 160.58 14.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.57 109.462 179.878 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.9 m-85 -140.35 -173.79 3.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 0.53 109.483 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 71.9 p -153.19 157.4 40.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 0.38 109.632 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.18 130.89 15.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.927 . . . . 0.36 109.272 -179.884 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.5 tt0 -86.53 131.23 34.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.36 109.632 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.6 mt -123.98 115.41 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.49 109.569 179.759 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 6.1 ttt180 -73.47 147.65 43.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 2.1 109.587 179.933 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 92.96 131.63 5.83 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.811 -1.315 . . . . 0.44 109.811 179.767 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.456 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 24.3 ttp180 -74.22 -53.93 8.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -1.092 . . . . 2.72 109.357 179.866 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.41 -43.67 88.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 2.21 109.428 179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' D' ' 348' ' ' LEU . 0.2 OUTLIER -61.06 -42.59 98.78 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.394 -0.816 . . . . 2.79 109.423 -179.95 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.0 t80 -55.97 -53.27 58.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.419 -0.8 . . . . 0.45 109.741 -179.846 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.78 -36.09 35.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.307 -0.87 . . . . 1.68 109.994 -179.693 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.23 -48.83 76.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.137 -0.977 . . . . 0.43 110.133 -179.458 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.3 m-85 -61.35 -54.77 39.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.957 . . . . 0.28 109.408 -179.766 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -50.9 -34.52 28.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.395 -0.816 . . . . 2.52 109.619 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.68 -51.22 70.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 1.75 109.666 -179.849 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' A' ' 344' ' ' LEU . 59.8 mt -61.66 -34.21 75.32 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.294 -0.879 . . . . 0.31 109.109 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.612 ' HB2' HD21 ' D' ' 330' ' ' LEU . 16.0 t-20 -59.09 -51.7 68.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.21 109.333 179.534 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.07 -32.67 74.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 1.69 109.675 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.19 -50.64 72.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.27 109.939 -179.796 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.494 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.3 mt -61.72 -45.64 93.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.3 109.773 -179.604 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.54 -35.31 73.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.93 109.679 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 30.2 tp -65.24 -46.05 82.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.4 109.543 -179.781 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.41 -38.36 86.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 1.59 108.823 179.796 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.56 -36.98 69.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.567 -0.708 . . . . 1.43 109.416 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.2 78.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.306 -0.871 . . . . 0.65 109.41 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.19 109.61 -179.997 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.306 0.574 . . . . 2.11 109.588 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.33 160.45 14.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 0.64 109.45 179.94 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.9 m-85 -140.26 -173.81 3.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.49 109.474 -179.979 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 70.8 p -153.06 157.37 40.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.169 -0.957 . . . . 0.47 109.639 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.05 130.78 16.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.91 . . . . 0.42 109.427 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.5 tt0 -86.52 131.11 34.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 1.81 109.73 -179.851 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.82 115.41 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.893 . . . . 0.42 109.577 179.763 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -73.4 147.5 44.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 2.35 109.556 179.843 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.0 131.69 5.87 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.836 -1.305 . . . . 0.41 109.836 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.631 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 24.2 ttp180 -74.31 -53.92 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -1.1 . . . . 2.59 109.341 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.38 -43.88 88.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.335 -0.853 . . . . 2.54 109.468 179.98 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.445 ' NH2' ' HB2' ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.83 -42.71 98.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.334 -0.854 . . . . 3.39 109.439 179.971 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.537 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.0 t80 -55.89 -53.26 58.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.484 -0.76 . . . . 0.47 109.79 -179.847 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.86 -36.1 36.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 1.66 109.928 -179.659 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.23 -48.9 76.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.116 -0.99 . . . . 0.61 110.075 -179.456 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.5 m-85 -61.25 -54.91 38.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.33 109.403 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.52 28.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 3.28 109.61 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -60.73 -51.05 71.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 1.78 109.71 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' D' ' 344' ' ' LEU . 59.0 mt -61.74 -34.26 75.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -0.906 . . . . 0.38 109.048 179.791 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.732 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.9 t-20 -59.09 -51.65 69.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.382 -0.824 . . . . 1.2 109.26 179.618 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.16 -32.57 74.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.85 . . . . 2.12 109.612 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.41 -50.52 72.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.26 109.899 -179.724 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.3 mt -61.7 -45.78 92.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.206 -0.934 . . . . 0.4 109.731 -179.652 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.47 -35.23 73.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.09 109.683 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 30.5 tp -65.24 -46.21 81.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.75 109.576 -179.817 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.21 -38.43 86.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.407 -0.808 . . . . 2.19 108.846 179.802 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.54 -37.01 69.91 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.472 -0.768 . . . . 1.34 109.395 179.587 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.16 78.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.72 109.368 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 1.8 109.643 -179.933 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.257 0.551 . . . . 1.67 109.64 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.3 160.59 14.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.61 109.419 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.9 m-85 -140.4 -173.75 3.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.56 109.438 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.435 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 69.3 p -153.17 157.39 40.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.253 -0.905 . . . . 0.43 109.575 -179.666 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.18 130.9 15.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.375 -0.828 . . . . 0.35 109.37 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 5.5 tt0 -86.65 131.33 34.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.37 109.599 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.7 mt -124.0 115.43 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.48 109.446 179.873 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 6.0 ttt180 -73.42 147.58 44.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 2.08 109.469 179.901 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 93.0 131.6 5.83 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.676 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 24.4 ttp180 -74.19 -53.92 8.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -1.121 . . . . 2.64 109.41 179.806 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.44 -43.76 88.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 2.22 109.463 179.988 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.89 -42.68 98.44 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.278 -0.889 . . . . 2.74 109.434 179.953 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' D' ' 332' ' ' ILE . 45.2 t80 -55.84 -53.32 58.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.43 109.718 -179.838 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -50.92 -36.07 36.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 1.69 109.881 -179.534 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.15 -48.97 76.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.195 -0.941 . . . . 0.43 110.119 -179.444 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.63 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.8 m-85 -61.2 -54.83 39.31 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.126 -0.984 . . . . 0.27 109.446 -179.793 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.53 28.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 2.45 109.603 179.835 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.7 -51.27 70.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 1.75 109.652 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' C' ' 344' ' ' LEU . 60.6 mt -61.58 -34.31 75.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.247 -0.908 . . . . 0.31 109.104 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.661 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.9 t-20 -59.06 -51.68 69.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.384 -0.823 . . . . 1.22 109.315 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.14 -32.63 74.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.821 . . . . 1.73 109.613 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -50.56 72.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 0.28 109.945 -179.733 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.516 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.2 mt -61.77 -45.67 92.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.31 109.731 -179.698 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.51 -35.3 73.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 1.91 109.635 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.5 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 30.7 tp -65.23 -46.1 81.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.814 . . . . 0.43 109.582 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.27 -38.34 86.37 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.37 -0.831 . . . . 1.57 108.876 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.61 -36.97 70.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.488 -0.757 . . . . 1.44 109.43 179.54 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.13 78.44 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.64 109.478 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 . . . . . 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 1.21 109.641 -179.972 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 27.9 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.237 -0.653 . . . . 1.7 109.237 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -95.51 146.34 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.14 -0.975 . . . . 0.61 109.775 179.937 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.8 m-85 -137.62 -173.19 3.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.205 -0.934 . . . . 0.58 109.376 179.926 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.9 p -152.55 164.77 36.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 0.42 109.255 -179.941 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.28 131.95 16.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.36 109.62 -179.68 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.46 127.79 34.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.342 -0.849 . . . . 1.37 109.132 179.755 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 338' ' ' PHE . 40.0 mt -123.53 109.54 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.141 -0.975 . . . . 0.47 109.879 -179.841 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.46 ' NH1' ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.57 129.28 37.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.436 -0.79 . . . . 2.1 109.136 179.614 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.452 ' HA2' ' NH2' ' A' ' 333' ' ' ARG . . . 116.72 129.86 4.39 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.583 -1.407 . . . . 0.42 109.583 -179.966 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -76.82 -57.58 3.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -1.172 . . . . 2.68 109.423 179.906 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.54 -44.36 89.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 2.22 109.323 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -44.07 95.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.325 -0.859 . . . . 2.77 109.405 179.996 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 62.7 t80 -55.62 -53.23 59.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.43 109.749 -179.873 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.44 -37.21 36.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 1.66 110.035 -179.628 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.71 81.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.514 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.02 -53.54 55.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.29 109.283 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.91 -35.57 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.854 . . . . 2.44 109.546 179.763 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.14 -51.14 70.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.74 109.952 -179.644 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.3 109.019 -179.975 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.14 -53.65 55.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.468 -0.77 . . . . 1.22 109.448 179.586 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.99 -31.79 73.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.72 110.023 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.76 -54.14 48.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.27 110.006 -179.704 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.07 -41.27 96.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.29 109.567 -179.745 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.42 -34.99 74.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.91 109.447 179.868 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.01 -46.66 80.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.349 -0.844 . . . . 0.41 109.521 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.2 -40.97 95.94 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.911 -0.774 . . . . 1.56 108.911 179.813 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -31.13 67.22 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.613 -0.679 . . . . 1.43 109.574 179.661 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.77 81.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.66 109.616 -179.673 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 1.18 109.419 179.914 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 27.8 mt-10 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.219 -0.66 . . . . 1.61 109.219 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -95.63 146.3 24.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.164 -0.96 . . . . 0.57 109.713 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -137.64 -173.29 3.45 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.213 -0.929 . . . . 0.53 109.408 179.876 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -152.51 164.71 37.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.132 -0.98 . . . . 0.38 109.305 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.15 132.05 17.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.23 -0.919 . . . . 0.36 109.635 -179.639 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.54 127.76 34.54 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 1.36 109.083 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.9 mt -123.47 109.5 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.13 -0.982 . . . . 0.49 109.889 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.472 ' CG ' HH11 ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.51 129.18 37.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.354 -0.841 . . . . 2.1 109.12 179.596 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' HA2' ' NH2' ' B' ' 333' ' ' ARG . . . 116.69 129.98 4.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.555 -1.418 . . . . 0.44 109.555 179.934 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -76.88 -57.56 3.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -1.137 . . . . 2.72 109.36 179.996 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.57 -44.29 89.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 2.21 109.355 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -44.0 96.24 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.268 -0.895 . . . . 2.79 109.465 179.931 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' O ' ' D' ' 329' ' ' THR . 62.1 t80 -55.77 -53.11 60.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.333 -0.854 . . . . 0.45 109.71 -179.859 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.57 -37.21 38.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 1.68 109.894 -179.548 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.67 82.08 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.027 -1.046 . . . . 0.43 110.097 -179.487 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.03 -53.55 55.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.15 -0.968 . . . . 0.28 109.306 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.96 -35.51 33.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.842 . . . . 2.52 109.521 179.773 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.14 -51.12 70.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 1.75 110.005 -179.685 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.77 -34.98 75.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.927 . . . . 0.31 109.073 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.2 -53.63 56.12 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.793 . . . . 1.21 109.485 179.643 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.93 -31.84 73.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.499 -0.75 . . . . 1.69 110.013 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.73 -54.18 48.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.27 109.938 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.04 -41.36 96.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.251 -0.906 . . . . 0.3 109.509 -179.662 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.22 -35.07 74.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 1.93 109.463 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.07 -46.57 80.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.379 -0.825 . . . . 0.4 109.505 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -61.23 -41.02 96.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.832 . . . . 1.59 108.878 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -31.06 66.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.613 -0.679 . . . . 1.43 109.668 179.642 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -45.7 81.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.65 109.557 -179.679 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 1.19 109.429 179.916 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.402 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 27.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.208 -0.664 . . . . 2.11 109.208 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -95.65 146.42 24.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.965 . . . . 0.64 109.586 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -137.73 -173.22 3.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.248 -0.907 . . . . 0.49 109.332 179.885 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.0 p -152.52 164.72 37.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.47 109.218 -179.872 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.21 131.99 16.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.939 . . . . 0.42 109.672 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.55 127.81 34.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.327 -0.858 . . . . 1.81 109.1 179.771 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.439 HD12 ' CD1' ' C' ' 338' ' ' PHE . 40.9 mt -123.56 109.53 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.42 109.855 -179.804 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.473 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.51 129.25 37.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 2.35 109.209 179.633 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' C' ' 333' ' ' ARG . . . 116.72 129.88 4.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.668 -1.373 . . . . 0.41 109.668 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -76.95 -57.47 3.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -1.142 . . . . 2.59 109.386 -179.988 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.53 -44.4 89.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 2.54 109.314 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.12 95.95 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.36 -0.838 . . . . 3.39 109.321 -179.937 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 329' ' ' THR . 62.1 t80 -55.66 -53.23 59.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.391 -0.818 . . . . 0.47 109.719 -179.783 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.34 -37.31 36.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.66 110.024 -179.675 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.08 -47.55 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.029 -1.044 . . . . 0.61 110.082 -179.43 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.15 -53.54 55.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.33 109.197 -179.839 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.97 -35.53 34.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.334 -0.854 . . . . 3.28 109.502 179.792 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.16 -51.15 70.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.158 -0.964 . . . . 1.78 109.868 -179.645 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.88 -34.95 75.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.287 -0.883 . . . . 0.38 109.068 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.07 -53.67 55.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.394 -0.816 . . . . 1.2 109.47 179.508 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.95 -31.84 73.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -0.839 . . . . 2.12 109.982 -179.677 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -54.11 49.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.26 110.024 -179.641 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.1 -41.31 96.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.4 109.538 -179.725 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.17 -35.15 74.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 2.09 109.538 179.775 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.06 -46.66 80.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.75 109.484 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.17 -40.87 95.52 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.439 -0.788 . . . . 2.19 108.998 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -31.09 67.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.602 -0.686 . . . . 1.34 109.603 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.84 81.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 0.72 109.563 -179.655 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.8 109.419 179.975 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.409 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 27.9 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.281 -0.637 . . . . 1.67 109.281 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -95.4 146.25 24.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -0.976 . . . . 0.61 109.757 -179.963 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -137.6 -173.21 3.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.56 109.38 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.512 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.0 p -152.56 164.67 37.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.198 -0.938 . . . . 0.43 109.294 -179.902 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.21 132.05 17.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.35 109.581 -179.664 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.55 127.75 34.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.37 109.079 179.797 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' D' ' 338' ' ' PHE . 40.5 mt -123.51 109.46 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.214 -0.929 . . . . 0.48 109.814 -179.736 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.467 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.49 129.23 37.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.08 109.158 179.592 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' D' ' 333' ' ' ARG . . . 116.7 129.9 4.4 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 -179.975 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -76.87 -57.61 3.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -1.15 . . . . 2.64 109.397 -179.971 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.5 -44.45 89.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 2.22 109.275 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.04 95.93 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.403 -0.811 . . . . 2.74 109.451 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' B' ' 329' ' ' THR . 62.3 t80 -55.65 -53.21 59.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.376 -0.828 . . . . 0.43 109.697 -179.88 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.47 -37.26 37.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 1.69 109.997 -179.615 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -62.94 -47.73 81.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.175 -0.953 . . . . 0.43 110.108 -179.523 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.04 -53.54 55.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.224 -0.922 . . . . 0.27 109.258 -179.853 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.89 -35.62 33.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 2.45 109.558 179.707 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.09 -51.14 70.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 1.75 109.906 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' D' ' 344' ' ' LEU . 82.7 mt -60.87 -35.01 75.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.131 -0.98 . . . . 0.31 108.992 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.08 -53.64 56.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.817 . . . . 1.22 109.529 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.92 -31.9 73.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.451 -0.781 . . . . 1.73 109.996 -179.763 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -54.22 47.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.28 109.949 -179.605 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.99 -41.3 96.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.907 . . . . 0.31 109.594 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.24 -35.03 74.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.328 -0.858 . . . . 1.91 109.525 179.779 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.12 -46.63 80.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.288 -0.883 . . . . 0.43 109.434 -179.87 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.16 -41.0 95.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.327 -0.858 . . . . 1.57 108.915 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -31.09 67.27 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.687 -0.633 . . . . 1.44 109.576 179.7 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.91 81.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.64 109.587 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.21 109.396 -179.998 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.454 -0.573 . . . . 1.7 109.454 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.1 156.85 16.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.61 109.374 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.1 m-85 -139.0 -169.77 2.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.58 109.514 -179.934 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.8 p -153.94 157.02 38.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.173 -0.954 . . . . 0.42 109.403 -179.778 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.16 134.09 18.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.36 109.409 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -86.38 132.28 34.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.37 109.583 -179.978 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 341' ' ' PHE . 33.8 mt -123.82 117.37 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.47 109.46 179.728 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.4 147.46 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.893 . . . . 2.1 109.673 179.984 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.32 138.81 8.05 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.814 -1.314 . . . . 0.42 109.814 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.0 ttt180 -81.36 -52.45 7.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -1.095 . . . . 2.68 109.482 179.903 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.62 85.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 2.22 109.482 179.908 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.323 -0.861 . . . . 2.77 109.478 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 332' ' ' ILE . 46.2 t80 -55.02 -56.46 19.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.887 . . . . 0.43 109.495 179.94 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.51 -33.43 31.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.66 109.713 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.439 ' CG ' ' SD ' ' D' ' 340' ' ' MET . 10.2 ttp -63.3 -50.84 68.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.184 -0.947 . . . . 0.44 110.036 -179.614 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.2 m-85 -60.87 -53.99 50.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.29 109.225 -179.853 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.93 -34.69 29.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 2.44 109.616 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.24 -51.37 69.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.181 -0.949 . . . . 1.74 109.741 -179.799 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 70.9 mt -60.88 -34.06 74.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.2 -0.938 . . . . 0.3 109.057 179.933 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.46 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.3 t-20 -59.5 -52.99 63.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.405 -0.809 . . . . 1.22 109.702 179.718 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.67 -34.44 77.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 1.72 110.027 -179.579 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -51.76 68.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.27 110.073 -179.471 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.23 -42.13 98.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.865 . . . . 0.29 109.755 -179.577 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.48 78.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.91 109.731 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 16.3 tp -64.55 -42.7 95.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.885 . . . . 0.41 109.694 -179.794 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.17 -42.88 99.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.35 -0.844 . . . . 1.56 109.242 -179.944 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.36 -40.08 73.95 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.485 -0.759 . . . . 1.43 109.83 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.39 81.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.66 109.667 -179.701 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.276 -0.89 . . . . 1.18 109.762 -179.869 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 1.61 109.386 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 12.6 m-85 -93.08 156.83 16.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.57 109.389 179.884 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 68.6 m-85 -138.96 -169.69 2.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.53 109.565 -179.956 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.494 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 68.2 p -154.09 156.85 38.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.175 -0.953 . . . . 0.38 109.593 -179.836 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.08 134.12 18.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.36 109.427 -179.746 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -86.49 132.4 33.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 1.36 109.465 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.587 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.8 mt -123.92 117.44 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.49 109.384 179.787 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.57 147.45 43.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 2.1 109.624 -179.953 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.35 138.87 8.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.858 -1.297 . . . . 0.44 109.858 179.769 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 37.9 ttt180 -81.51 -52.41 7.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -1.119 . . . . 2.72 109.44 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -46.69 85.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.354 -0.841 . . . . 2.21 109.425 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 3.1 ttm180 -60.46 -40.99 93.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 2.79 109.439 -179.969 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 332' ' ' ILE . 46.3 t80 -54.94 -56.48 19.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.323 -0.861 . . . . 0.45 109.489 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.58 -33.34 32.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.33 -0.856 . . . . 1.68 109.671 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -63.34 -50.78 68.64 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.249 -0.907 . . . . 0.43 110.001 -179.569 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.2 m-85 -60.91 -53.97 50.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.214 -0.929 . . . . 0.28 109.237 -179.805 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.92 -34.75 29.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.384 -0.822 . . . . 2.52 109.595 179.862 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.3 -51.29 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 1.75 109.702 -179.725 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 71.5 mt -60.93 -34.02 74.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.198 -0.939 . . . . 0.31 109.046 179.872 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.511 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.3 t-20 -59.44 -53.22 60.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.391 -0.818 . . . . 1.21 109.633 179.663 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.64 -34.39 76.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 1.69 110.031 -179.444 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -51.75 68.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 0.27 110.095 -179.557 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.22 -42.08 97.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.3 109.772 -179.607 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.44 78.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.289 -0.882 . . . . 1.93 109.738 -179.91 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.77 95.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 0.4 109.634 -179.813 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.9 ttmt -62.08 -42.97 99.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.387 -0.821 . . . . 1.59 109.274 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.4 -39.97 73.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.561 -0.712 . . . . 1.43 109.881 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.37 81.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.65 109.659 -179.775 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.917 . . . . 1.19 109.796 -179.834 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.391 -0.596 . . . . 2.11 109.391 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 12.7 m-85 -93.06 156.93 16.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.64 109.394 179.886 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.8 m-85 -139.04 -169.81 2.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.231 -0.918 . . . . 0.49 109.565 -179.91 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.3 p -153.99 157.02 38.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.47 109.442 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.12 133.97 17.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.929 . . . . 0.42 109.351 -179.665 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -86.34 132.37 33.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.321 -0.862 . . . . 1.81 109.584 179.951 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.5 mt -123.87 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.42 109.351 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.61 147.52 43.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 2.35 109.58 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.42 138.84 8.11 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.816 -1.314 . . . . 0.41 109.816 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.0 ttt180 -81.46 -52.41 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.357 -1.084 . . . . 2.59 109.463 179.813 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -46.65 85.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -0.845 . . . . 2.54 109.444 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.64 -40.91 93.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -0.908 . . . . 3.39 109.451 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CD1' HD12 ' C' ' 332' ' ' ILE . 46.0 t80 -55.01 -56.37 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 0.47 109.46 -179.97 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -51.62 -33.42 33.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.922 . . . . 1.66 109.569 -179.902 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.35 -50.78 68.61 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.277 -0.889 . . . . 0.61 110.051 -179.554 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.586 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.3 m-85 -60.93 -53.91 51.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.284 -0.885 . . . . 0.33 109.253 -179.896 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -51.06 -34.68 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.403 -0.811 . . . . 3.28 109.61 179.957 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.21 -51.32 70.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.197 -0.94 . . . . 1.78 109.731 -179.758 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' D' ' 344' ' ' LEU . 70.8 mt -60.85 -34.06 74.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.241 -0.912 . . . . 0.38 109.13 179.818 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.43 -53.12 61.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 1.2 109.682 179.692 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.74 -34.3 76.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.405 -0.81 . . . . 2.12 110.006 -179.498 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.14 -51.8 68.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 0.26 110.014 -179.524 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.18 -42.16 98.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.4 109.76 -179.552 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.49 78.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 2.09 109.75 -179.972 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.54 -42.77 95.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.75 109.702 -179.843 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 12.9 ttmt -61.99 -43.06 99.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 2.19 109.27 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.38 -39.96 73.79 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.633 -0.667 . . . . 1.34 109.857 -179.979 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.44 81.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.72 109.711 -179.769 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.8 109.754 -179.855 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 1.67 109.411 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.7 m-85 -93.07 156.92 16.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.61 109.338 179.972 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.6 m-85 -139.09 -169.85 2.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.25 -0.907 . . . . 0.56 109.574 -179.939 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 67.8 p -153.93 157.02 38.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.43 109.484 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.08 134.13 18.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.35 109.379 -179.729 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.1 tt0 -86.56 132.36 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.243 -0.911 . . . . 1.37 109.53 -179.953 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.0 mt -123.85 117.43 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.48 109.399 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.54 147.39 44.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 2.08 109.581 -179.946 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.36 138.72 8.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.72 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.0 ttt180 -81.37 -52.34 7.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -1.102 . . . . 2.64 109.461 179.945 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.36 -46.57 86.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.351 -0.843 . . . . 2.22 109.519 179.932 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.66 -40.85 93.58 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.277 -0.889 . . . . 2.74 109.431 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CD1' HD12 ' D' ' 332' ' ' ILE . 46.3 t80 -54.97 -56.48 19.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.352 -0.842 . . . . 0.43 109.454 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.65 -33.23 32.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.447 -0.783 . . . . 1.69 109.63 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.439 ' SD ' ' CG ' ' A' ' 340' ' ' MET . 10.1 ttp -63.3 -50.92 68.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.281 -0.887 . . . . 0.43 110.042 -179.619 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -60.86 -53.82 52.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.27 109.391 -179.871 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -51.05 -34.79 31.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 2.45 109.6 179.817 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.1 -51.46 69.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.139 -0.976 . . . . 1.75 109.814 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' C' ' 344' ' ' LEU . 70.4 mt -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.205 -0.934 . . . . 0.31 109.099 179.829 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.4 t-20 -59.46 -53.16 61.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.379 -0.826 . . . . 1.22 109.656 179.774 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.63 -34.38 76.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.73 110.049 -179.532 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.1 -51.81 68.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.201 -0.937 . . . . 0.28 110.026 -179.54 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 41.4 mt -61.2 -42.06 97.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.31 109.764 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.52 78.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 1.91 109.721 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.86 95.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.899 . . . . 0.43 109.604 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 12.9 ttmt -61.98 -42.96 99.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.844 . . . . 1.57 109.316 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.32 -40.04 73.75 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.493 -0.755 . . . . 1.44 109.919 179.895 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.46 81.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.913 . . . . 0.64 109.716 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 1.21 109.796 -179.823 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.469 -0.567 . . . . 1.7 109.469 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.62 155.13 17.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.158 -0.964 . . . . 0.61 109.698 -179.913 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -140.2 -176.84 4.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.58 109.29 179.805 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.491 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.4 p -152.44 156.25 39.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.171 -0.955 . . . . 0.42 109.531 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' C' ' 345' ' ' ASN . 15.0 tp -147.45 130.99 16.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.36 109.517 -179.759 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.3 tt0 -86.43 131.41 34.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.298 -0.876 . . . . 1.37 109.508 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.658 HD12 ' CD1' ' A' ' 338' ' ' PHE . 31.9 mt -123.86 118.94 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.47 109.592 179.849 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.487 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.32 43.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 2.1 109.48 -179.993 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.78 131.12 3.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.739 -1.344 . . . . 0.42 109.739 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.5 ttt180 -76.85 -51.7 10.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -1.17 . . . . 2.68 109.589 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 16.9 pt-20 -58.7 -41.76 87.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 2.22 109.444 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.836 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.4 tpp180 -63.13 -43.86 97.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.2 -0.938 . . . . 2.77 109.141 179.69 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.0 t80 -55.27 -46.82 76.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.432 -0.793 . . . . 0.43 109.599 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.98 -39.52 59.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.889 . . . . 1.66 109.963 -179.617 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.57 -46.1 89.87 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.207 -0.933 . . . . 0.44 110.162 -179.259 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.454 ' HD2' HG21 ' A' ' 332' ' ' ILE . 20.5 m-85 -61.24 -49.82 75.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.111 -0.993 . . . . 0.29 109.419 -179.657 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -51.5 -43.02 62.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.309 -0.87 . . . . 2.44 109.718 179.858 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.97 -41.58 92.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.178 -0.951 . . . . 1.74 109.898 -179.631 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' B' ' 344' ' ' LEU . 35.0 mt -62.47 -46.36 88.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.3 109.635 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.478 ' HB2' HD21 ' C' ' 330' ' ' LEU . 50.5 t30 -58.33 -43.64 88.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.22 109.777 179.964 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.86 -39.5 92.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 1.72 109.717 -179.758 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.16 -45.66 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.317 -0.865 . . . . 0.27 109.728 -179.837 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.898 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.6 mt -62.2 -44.19 97.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 0.29 109.685 -179.834 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.77 -37.7 76.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.317 -0.865 . . . . 1.91 109.446 -179.894 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.933 HD11 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -63.49 -40.49 97.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.41 109.342 -179.956 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.482 ' HA ' HD22 ' B' ' 350' ' ' LEU . 8.7 ttmm -62.53 -51.19 68.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.394 -0.816 . . . . 1.56 109.089 179.845 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.29 -30.15 64.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.564 -0.71 . . . . 1.43 109.755 179.839 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.61 80.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.888 . . . . 0.66 109.976 -179.51 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.886 ' NE2' HD11 ' B' ' 350' ' ' LEU . 1.1 mt-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 1.18 109.624 -179.694 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.402 -0.592 . . . . 1.61 109.402 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.44 155.11 17.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.57 109.785 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.84 4.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.53 109.323 179.775 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.0 p -152.41 156.18 39.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.099 -1.001 . . . . 0.38 109.6 -179.671 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.9 tp -147.37 130.86 16.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.36 109.592 -179.73 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.3 tt0 -86.44 131.35 34.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.36 109.522 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.646 HD12 ' CD1' ' B' ' 338' ' ' PHE . 32.8 mt -123.84 118.99 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.49 109.507 179.898 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.9 OUTLIER -73.48 148.35 43.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.282 -0.886 . . . . 2.1 109.555 179.909 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 131.33 3.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.728 -1.349 . . . . 0.44 109.728 179.816 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 61.6 ttt180 -77.05 -51.61 10.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -1.132 . . . . 2.72 109.637 179.929 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 16.9 pt-20 -58.64 -41.76 86.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 2.21 109.49 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.83 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.4 tpp180 -63.15 -43.92 96.98 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.242 -0.911 . . . . 2.79 109.105 179.699 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.646 ' CD1' HD12 ' B' ' 332' ' ' ILE . 75.9 t80 -55.23 -46.97 75.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.468 -0.77 . . . . 0.45 109.547 179.938 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.91 -39.55 59.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 1.68 110.028 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.55 -46.06 90.09 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.078 -1.014 . . . . 0.43 110.259 -179.299 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.453 ' HD2' HG21 ' B' ' 332' ' ' ILE . 20.2 m-85 -61.09 -49.98 75.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.043 -1.035 . . . . 0.28 109.404 -179.767 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.43 -43.09 61.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.384 -0.823 . . . . 2.52 109.683 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.91 -41.58 92.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.955 . . . . 1.75 109.955 -179.646 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 344' ' ' LEU . 35.2 mt -62.35 -46.53 88.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.31 109.657 -179.882 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 50.6 t30 -58.22 -43.86 87.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 1.21 109.694 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.65 -39.56 91.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.69 109.792 -179.711 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.2 -45.54 90.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.37 -0.831 . . . . 0.27 109.733 -179.785 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.842 HD22 ' NH1' ' D' ' 337' ' ' ARG . 54.2 mt -62.32 -44.18 97.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.255 -0.903 . . . . 0.3 109.599 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.76 -37.67 76.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.93 109.535 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.886 HD11 ' NE2' ' A' ' 354' ' ' GLN . 12.6 tp -63.52 -40.41 96.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.379 -0.826 . . . . 0.4 109.434 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' A' ' 350' ' ' LEU . 8.8 ttmm -62.51 -51.27 68.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 1.59 109.141 179.741 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.19 64.35 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.567 -0.708 . . . . 1.43 109.71 179.844 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.57 80.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.65 109.994 -179.481 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.933 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.1 mt-30 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.19 109.765 -179.786 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.483 -0.562 . . . . 2.11 109.483 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -94.56 155.21 17.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.913 . . . . 0.64 109.671 -179.957 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.86 4.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.49 109.289 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 62.9 p -152.47 156.23 39.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.12 -0.988 . . . . 0.47 109.592 -179.753 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.9 tp -147.39 131.0 16.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.311 -0.868 . . . . 0.42 109.553 -179.731 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 42.4 tt0 -86.5 131.37 34.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.81 109.499 179.985 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' C' ' 338' ' ' PHE . 32.0 mt -123.76 119.08 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 0.42 109.534 179.78 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.481 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.33 43.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.35 109.499 179.822 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.68 131.46 3.94 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.671 -1.371 . . . . 0.41 109.671 179.765 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 61.6 ttt180 -77.08 -51.7 10.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.289 -1.124 . . . . 2.59 109.643 179.97 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 16.9 pt-20 -58.63 -41.69 86.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.929 . . . . 2.54 109.513 179.948 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.898 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.4 tpp180 -63.2 -43.86 96.96 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.317 -0.865 . . . . 3.39 109.13 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.9 t80 -55.38 -46.74 76.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.432 -0.792 . . . . 0.47 109.574 179.933 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.01 -39.5 59.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.835 . . . . 1.66 110.036 -179.687 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.62 -46.02 90.19 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.134 -0.979 . . . . 0.61 110.249 -179.321 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.455 ' CD2' HD13 ' C' ' 332' ' ' ILE . 20.3 m-85 -61.19 -49.91 75.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.33 109.441 -179.793 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.49 -43.03 62.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 3.28 109.698 179.897 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.85 -41.69 91.99 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -0.946 . . . . 1.78 109.861 -179.705 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' D' ' 344' ' ' LEU . 35.2 mt -62.47 -46.37 88.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.929 . . . . 0.38 109.643 -179.736 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' A' ' 330' ' ' LEU . 50.8 t30 -58.38 -43.77 88.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 1.2 109.737 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.64 -39.56 91.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 2.12 109.751 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.15 -45.74 90.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.865 . . . . 0.26 109.668 -179.803 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.1 mt -62.15 -44.16 97.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.4 109.674 -179.805 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.9 -37.55 76.88 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 2.09 109.552 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.712 HD11 ' OE1' ' D' ' 354' ' ' GLN . 12.7 tp -63.55 -40.39 96.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.75 109.39 179.961 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.62 -51.17 68.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.456 -0.777 . . . . 2.19 109.089 179.799 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.21 64.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.5 -0.75 . . . . 1.34 109.746 179.767 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.59 80.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.384 -0.823 . . . . 0.72 109.956 -179.399 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' D' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.117 -0.989 . . . . 1.8 109.677 -179.715 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.4 -0.592 . . . . 1.67 109.4 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -94.54 155.19 17.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.117 -0.99 . . . . 0.61 109.699 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.6 m-85 -140.36 -176.9 4.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.56 109.295 179.842 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.0 p -152.35 156.28 39.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 0.43 109.571 -179.717 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.9 tp -147.37 130.97 16.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.35 109.524 -179.733 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 42.4 tt0 -86.53 131.38 34.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.37 109.463 179.997 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' D' ' 338' ' ' PHE . 32.4 mt -123.84 119.02 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.48 109.461 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.9 OUTLIER -73.52 148.38 43.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 2.08 109.575 179.815 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.7 131.55 3.98 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 61.8 ttt180 -77.19 -51.75 10.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.348 -1.089 . . . . 2.64 109.603 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 16.9 pt-20 -58.62 -41.79 86.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 2.22 109.457 179.972 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.842 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.4 tpp180 -63.19 -43.83 97.08 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 2.74 109.136 179.747 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.1 t80 -55.24 -46.87 76.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.43 109.626 179.882 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.9 -39.61 59.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.368 -0.833 . . . . 1.69 110.06 -179.722 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.43 110.313 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CD2' HD13 ' D' ' 332' ' ' ILE . 20.3 m-85 -61.18 -49.88 75.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.27 109.362 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.53 -43.05 62.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.356 -0.84 . . . . 2.45 109.702 179.95 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.9 -41.66 92.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 1.75 109.882 -179.662 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' C' ' 344' ' ' LEU . 35.1 mt -62.27 -46.59 88.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.31 109.63 -179.839 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 50.6 t30 -58.34 -43.7 88.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.852 . . . . 1.22 109.715 -179.87 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.77 -39.47 91.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 1.73 109.738 -179.765 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.2 -45.51 90.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 0.28 109.775 -179.835 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.83 HD22 ' NH1' ' B' ' 337' ' ' ARG . 54.3 mt -62.37 -44.15 97.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.31 109.627 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.84 -37.65 76.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.91 109.468 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' C' ' 354' ' ' GLN . 12.6 tp -63.51 -40.31 96.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.43 109.443 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.62 -51.2 68.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 1.57 109.095 179.769 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.25 -30.12 64.38 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.625 -0.672 . . . . 1.44 109.814 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.49 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.64 109.945 -179.454 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.712 ' OE1' HD11 ' C' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.091 -1.006 . . . . 1.21 109.628 -179.733 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.516 -0.55 . . . . 1.7 109.516 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.78 155.37 16.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.974 . . . . 0.61 109.673 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.2 m-85 -139.68 -169.36 2.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.58 109.325 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' C' ' 338' ' ' PHE . 11.9 p -153.34 162.94 40.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.42 109.693 -179.777 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.2 tp -149.39 133.56 17.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.294 -0.879 . . . . 0.36 109.479 -179.782 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.71 34.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.306 -0.871 . . . . 1.37 109.198 179.746 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.89 114.36 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.914 . . . . 0.47 109.613 -179.787 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.53 150.8 41.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 2.1 109.295 179.789 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.02 130.01 4.53 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.692 -1.363 . . . . 0.42 109.692 179.751 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.5 OUTLIER -78.12 -52.78 8.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -1.089 . . . . 2.68 109.526 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.19 -48.29 80.78 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 2.22 109.426 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.85 -40.21 92.0 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.362 -0.836 . . . . 2.77 109.314 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.466 ' CZ ' ' O ' ' C' ' 329' ' ' THR . 35.7 t80 -54.97 -55.36 31.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.47 -0.769 . . . . 0.43 109.554 -179.933 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.21 39.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.317 -0.864 . . . . 1.66 109.946 -179.885 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.42 -47.8 82.5 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.068 -1.02 . . . . 0.44 109.772 -179.648 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.42 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 20.3 m-85 -61.48 -47.29 86.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.918 . . . . 0.29 108.998 179.867 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -51.9 -39.95 59.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 2.44 109.684 179.823 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.8 -49.56 77.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.237 -0.915 . . . . 1.74 109.718 -179.64 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.86 -33.36 72.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.104 -0.998 . . . . 0.3 108.951 179.691 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.48 -55.21 37.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 1.22 109.434 179.64 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.72 -29.09 70.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.789 . . . . 1.72 109.792 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.32 -56.84 16.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.917 . . . . 0.27 109.806 -179.661 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.421 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 22.2 mt -60.79 -38.14 84.31 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.302 -0.874 . . . . 0.29 109.434 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.05 -37.23 76.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.91 109.402 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.517 HD21 ' OE1' ' B' ' 354' ' ' GLN . 11.9 tp -64.48 -40.56 95.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 0.41 109.309 179.941 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -49.38 76.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.426 -0.796 . . . . 1.56 108.907 179.77 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.68 -29.8 62.74 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.619 -0.676 . . . . 1.43 109.462 179.584 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.41 83.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.865 . . . . 0.66 109.734 -179.687 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.501 ' OE1' HD11 ' B' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.18 109.431 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.478 -0.564 . . . . 1.61 109.478 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.79 155.45 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.57 109.682 179.982 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.4 m-85 -139.75 -169.38 2.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.327 -0.858 . . . . 0.53 109.286 179.864 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CZ ' ' D' ' 338' ' ' PHE . 12.0 p -153.28 163.05 40.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.38 109.648 -179.745 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.54 133.47 17.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.919 . . . . 0.36 109.498 -179.896 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.66 127.74 34.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 1.36 109.16 179.846 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 114.39 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -0.969 . . . . 0.49 109.718 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.43 150.74 41.48 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 2.1 109.423 179.719 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.13 129.93 4.55 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.777 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -78.08 -52.79 8.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -1.054 . . . . 2.72 109.46 179.949 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.16 -48.46 80.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 2.21 109.388 179.912 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -60.72 -40.23 91.57 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.262 -0.899 . . . . 2.79 109.359 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' D' ' 329' ' ' THR . 35.4 t80 -54.88 -55.42 30.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 0.45 109.581 -179.972 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -51.84 -34.2 39.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 1.68 109.842 -179.864 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.41 -47.82 82.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.16 -0.962 . . . . 0.43 109.737 -179.587 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 20.4 m-85 -61.48 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.28 109.152 179.832 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -52.07 -39.89 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 2.52 109.687 179.812 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.67 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -0.916 . . . . 1.75 109.696 -179.725 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.75 -33.49 73.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.022 . . . . 0.31 108.974 179.769 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.31 -55.33 36.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.483 -0.761 . . . . 1.21 109.425 179.643 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.17 70.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.358 -0.839 . . . . 1.69 109.8 -179.854 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.21 -56.83 16.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.27 109.888 -179.724 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 22.2 mt -60.81 -38.1 84.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.853 . . . . 0.3 109.342 -179.827 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.09 -37.28 76.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 1.93 109.36 179.817 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 354' ' ' GLN . 11.9 tp -64.49 -40.5 95.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 0.4 109.351 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.45 76.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.79 . . . . 1.59 108.935 179.708 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.63 -29.79 62.58 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.592 -0.692 . . . . 1.43 109.49 179.544 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.5 83.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.65 109.621 -179.634 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.12 -0.988 . . . . 1.19 109.475 179.937 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.362 0.601 . . . . 2.11 109.516 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.91 155.42 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.077 -1.015 . . . . 0.64 109.737 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -139.64 -169.33 2.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.322 -0.861 . . . . 0.49 109.392 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.466 ' O ' ' CZ ' ' A' ' 338' ' ' PHE . 11.7 p -153.35 163.3 40.17 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.47 109.599 -179.893 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.67 133.51 16.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.42 109.447 -179.811 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.7 34.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.81 109.179 179.841 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.78 114.44 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.42 109.707 -179.877 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 150.83 41.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.35 109.384 179.754 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.97 129.31 4.28 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.807 -1.317 . . . . 0.41 109.807 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -77.25 -52.94 8.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -1.118 . . . . 2.59 109.632 179.911 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.18 -48.42 80.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 2.54 109.41 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.76 -40.08 91.17 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.297 -0.877 . . . . 3.39 109.418 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -54.9 -55.5 29.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -0.825 . . . . 0.47 109.523 179.979 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -51.77 -34.28 38.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.326 -0.859 . . . . 1.66 109.922 -179.848 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.33 -47.9 82.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.61 109.683 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -61.52 -47.17 86.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.33 109.063 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -51.96 -39.89 60.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.503 -0.748 . . . . 3.28 109.779 179.768 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.68 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 1.78 109.657 -179.672 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.89 -33.39 73.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.38 108.888 179.859 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.32 -55.38 35.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 1.2 109.396 179.665 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.08 70.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 2.12 109.772 -179.824 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.24 -56.9 15.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 0.26 109.869 -179.74 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.42 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 22.2 mt -60.78 -38.07 84.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.4 109.378 -179.843 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.18 -37.18 76.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.292 -0.88 . . . . 2.09 109.398 179.821 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.499 HD11 ' OE1' ' D' ' 354' ' ' GLN . 11.9 tp -64.42 -40.56 95.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.75 109.355 179.878 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -49.5 76.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.3 -0.875 . . . . 2.19 108.94 179.723 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.55 -29.86 62.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.567 -0.708 . . . . 1.34 109.523 179.537 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.45 83.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.328 -0.857 . . . . 0.72 109.662 -179.627 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.561 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.108 -0.995 . . . . 1.8 109.362 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.437 -0.579 . . . . 1.67 109.437 . . . . . . . . . 0 0 . 1 . 054 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -95.0 155.49 16.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.61 109.664 179.938 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.8 m-85 -139.77 -169.39 2.7 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.368 -0.832 . . . . 0.56 109.248 -179.976 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' B' ' 338' ' ' PHE . 11.9 p -153.34 162.91 40.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.43 109.664 -179.717 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.41 133.63 17.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.35 109.429 -179.804 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.8 127.84 34.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 1.37 109.132 179.807 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.92 114.28 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.48 109.666 -179.828 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.46 150.68 41.47 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 2.08 109.395 179.739 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.11 129.71 4.47 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.773 -1.331 . . . . 0.4 109.773 179.782 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.58 ' CZ ' ' CB ' ' D' ' 335' ' ' ARG . 0.5 OUTLIER -77.69 -52.88 8.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -1.044 . . . . 2.64 109.537 179.887 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.34 -48.09 81.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 2.22 109.429 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.0 -40.04 92.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.353 -0.842 . . . . 2.74 109.365 179.959 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CZ ' ' O ' ' B' ' 329' ' ' THR . 35.8 t80 -54.99 -55.39 31.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.43 109.565 179.978 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.29 39.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.69 109.889 -179.88 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.4 -47.74 82.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.16 -0.963 . . . . 0.43 109.751 -179.598 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.437 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 20.1 m-85 -61.5 -47.27 86.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.27 109.026 179.908 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -51.98 -40.0 60.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.417 -0.802 . . . . 2.45 109.581 179.881 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.65 -49.59 76.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -0.852 . . . . 1.75 109.776 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.86 -33.4 73.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.167 -0.958 . . . . 0.31 108.926 179.771 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.33 -55.31 36.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.392 -0.818 . . . . 1.22 109.501 179.571 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.7 -29.09 70.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.423 -0.798 . . . . 1.73 109.786 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.2 -56.89 16.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 0.28 109.854 -179.714 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.414 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 22.1 mt -60.89 -38.07 84.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.31 109.396 -179.783 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.11 -37.21 76.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 1.91 109.376 179.76 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.561 HD21 ' OE1' ' C' ' 354' ' ' GLN . 11.9 tp -64.5 -40.5 95.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.242 -0.911 . . . . 0.43 109.325 179.972 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.53 76.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 1.57 108.861 179.693 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.67 -29.82 62.74 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.656 -0.652 . . . . 1.44 109.472 179.643 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.57 83.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.41 -0.806 . . . . 0.64 109.63 -179.695 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.499 ' OE1' HD11 ' C' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 1.21 109.443 -179.992 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.258 0.551 . . . . 1.7 109.535 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 50.7 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.297 -0.877 . . . . 0.61 109.396 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.7 m-85 -138.09 -168.31 2.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.58 109.55 -179.902 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.7 p -153.2 162.67 41.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.42 109.644 -179.794 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -150.08 133.07 16.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.287 -0.883 . . . . 0.36 109.362 -179.998 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.6 126.44 34.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.37 109.69 -179.803 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.0 mt -124.14 116.48 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.937 . . . . 0.47 109.333 179.709 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 2.1 ttt-85 -74.07 159.62 32.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 2.1 109.864 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.45 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 80.16 134.82 1.33 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.834 -1.306 . . . . 0.42 109.834 179.643 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 58.5 ttt180 -81.04 -49.02 11.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -1.101 . . . . 2.68 109.38 179.829 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.5 -51.09 71.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 2.22 109.441 179.936 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.07 85.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.351 -0.843 . . . . 2.77 109.299 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.3 t80 -55.3 -53.03 61.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.43 109.572 179.953 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.45 -34.45 35.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.821 . . . . 1.66 109.816 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.71 -50.51 70.85 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.211 -0.93 . . . . 0.44 109.898 -179.473 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -60.75 -54.65 42.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.29 109.241 -179.919 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.02 -34.41 29.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -0.797 . . . . 2.44 109.501 179.856 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.29 -49.07 79.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.159 -0.963 . . . . 1.74 109.474 -179.918 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.261 -0.899 . . . . 0.3 108.838 179.687 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' C' ' 330' ' ' LEU . 9.5 t-20 -59.21 -53.31 59.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 1.22 109.711 179.73 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.7 -32.9 74.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -0.852 . . . . 1.72 110.066 -179.506 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.56 -53.3 59.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 0.27 110.101 -179.643 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.89 -43.54 98.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.29 109.731 -179.511 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.46 -35.33 73.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 1.91 109.562 179.978 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.752 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -65.7 -40.85 92.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.298 -0.876 . . . . 0.41 109.429 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -62.19 -48.32 80.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.345 -0.847 . . . . 1.56 108.869 179.745 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.4 68.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.498 -0.751 . . . . 1.43 109.638 179.638 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.36 69.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.66 109.845 -179.74 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.189 -0.944 . . . . 1.18 109.529 -179.865 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.285 0.564 . . . . 1.61 109.544 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' D' ' 333' ' ' ARG . 51.4 m-85 -94.49 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.894 . . . . 0.57 109.386 179.821 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.6 m-85 -138.13 -168.33 2.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.879 . . . . 0.53 109.504 -179.871 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 19.6 p -153.19 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.38 109.62 -179.786 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.7 tp -150.05 133.12 16.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.271 -0.893 . . . . 0.36 109.359 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.63 126.41 34.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.271 -0.893 . . . . 1.36 109.702 -179.833 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.7 mt -124.09 116.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.205 -0.934 . . . . 0.49 109.365 179.704 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.5 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 2.1 ttt-85 -74.04 159.59 32.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.177 -0.952 . . . . 2.1 109.87 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 80.21 134.8 1.34 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.871 -1.292 . . . . 0.44 109.871 179.664 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 58.5 ttt180 -81.03 -49.06 11.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -1.098 . . . . 2.72 109.348 179.82 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.56 -50.94 71.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.477 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.31 -39.04 85.57 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 2.79 109.281 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -55.35 -52.97 61.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.45 109.582 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.48 -34.46 35.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 1.68 109.795 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.68 -50.59 70.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.239 -0.913 . . . . 0.43 109.891 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -60.69 -54.66 42.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.28 109.241 -179.905 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.0 -34.43 29.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.414 -0.804 . . . . 2.52 109.514 179.84 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.3 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.75 109.472 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.16 -34.78 75.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.349 -0.845 . . . . 0.31 108.84 179.692 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' D' ' 330' ' ' LEU . 9.6 t-20 -59.28 -53.24 60.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.421 -0.8 . . . . 1.21 109.685 179.762 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.69 -33.04 74.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.801 . . . . 1.69 110.095 -179.557 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.5 -53.25 59.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.139 -0.976 . . . . 0.27 110.101 -179.627 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.83 -43.63 98.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.913 . . . . 0.3 109.703 -179.534 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.49 -35.23 73.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 1.93 109.572 -179.974 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.753 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.75 -40.97 92.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.4 109.343 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 34.6 ttmt -62.1 -48.27 80.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 1.59 108.923 179.764 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.47 68.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.534 -0.729 . . . . 1.43 109.615 179.628 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.35 69.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 0.65 109.867 -179.757 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.475 ' OE1' HD11 ' A' ' 350' ' ' LEU . 28.3 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 1.19 109.473 -179.852 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.287 0.565 . . . . 2.11 109.549 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 51.1 m-85 -94.46 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.884 . . . . 0.64 109.338 179.834 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -138.09 -168.32 2.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.49 109.548 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 19.7 p -153.22 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.47 109.612 -179.788 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 345' ' ' ASN . 24.0 tp -150.1 133.01 16.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.42 109.38 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.5 126.39 34.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.902 . . . . 1.81 109.703 -179.826 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.0 mt -124.12 116.43 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.42 109.333 179.694 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.1 ttt-85 -74.0 159.64 32.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 2.35 109.862 -179.856 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 80.07 134.83 1.31 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.631 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 58.5 ttt180 -80.96 -49.1 11.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -1.1 . . . . 2.59 109.381 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.52 -51.02 71.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 2.54 109.488 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.11 85.51 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.315 -0.866 . . . . 3.39 109.299 -179.946 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' A' ' 329' ' ' THR . 42.1 t80 -55.29 -53.05 60.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.47 -0.769 . . . . 0.47 109.517 179.977 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -51.42 -34.54 35.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 1.66 109.815 -179.844 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.62 -50.52 70.92 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.245 -0.909 . . . . 0.61 109.981 -179.517 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.1 m-85 -60.74 -54.67 42.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.914 . . . . 0.33 109.223 -179.927 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.98 -34.37 28.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 3.28 109.507 179.835 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.35 -49.06 79.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 1.78 109.418 -179.86 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.14 -34.82 75.6 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.312 -0.868 . . . . 0.38 108.846 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' A' ' 330' ' ' LEU . 9.5 t-20 -59.23 -53.26 60.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.469 -0.769 . . . . 1.2 109.713 179.742 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.65 -33.24 74.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -0.811 . . . . 2.12 110.056 -179.544 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -53.31 59.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.142 -0.974 . . . . 0.26 110.12 -179.65 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.88 -43.52 98.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.4 109.731 -179.494 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -35.19 73.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 2.09 109.556 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.741 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.81 -40.86 92.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 0.75 109.381 -179.877 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 34.6 ttmt -62.17 -48.24 80.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 2.19 108.888 179.768 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.09 -34.46 68.33 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.597 -0.689 . . . . 1.34 109.63 179.598 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.72 109.852 -179.705 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.496 ' OE1' HD11 ' D' ' 350' ' ' LEU . 28.4 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 1.8 109.572 -179.913 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.27 0.557 . . . . 1.67 109.506 . . . . . . . . . 0 0 . 1 . 055 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 51.3 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.61 109.374 179.791 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 69.8 m-85 -138.11 -168.29 2.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.56 109.504 -179.901 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 19.5 p -153.21 162.64 41.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.43 109.615 -179.748 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 329' ' ' THR . 23.9 tp -150.03 133.11 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.35 109.361 179.992 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -86.61 126.31 34.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.915 . . . . 1.37 109.744 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -124.06 116.53 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.48 109.326 179.72 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.503 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 2.1 ttt-85 -74.08 159.66 32.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 2.08 109.861 -179.859 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 80.2 134.73 1.33 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.86 -1.296 . . . . 0.4 109.86 179.6 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 58.5 ttt180 -81.01 -49.0 11.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 2.64 109.388 179.805 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.58 -51.07 71.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.398 -0.814 . . . . 2.22 109.416 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.1 85.47 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 2.74 109.23 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.1 t80 -55.3 -53.04 61.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.43 109.515 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.43 -34.51 35.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.318 -0.864 . . . . 1.69 109.779 -179.835 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.67 -50.56 70.67 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.166 -0.959 . . . . 0.43 109.882 -179.476 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.1 m-85 -60.72 -54.68 42.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.27 109.213 -179.915 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.01 -34.4 29.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.365 -0.834 . . . . 2.45 109.483 179.879 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.32 -49.03 79.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 1.75 109.477 -179.912 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.15 -34.78 75.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.358 -0.839 . . . . 0.31 108.846 179.683 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' B' ' 330' ' ' LEU . 9.6 t-20 -59.27 -53.28 60.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.483 -0.76 . . . . 1.22 109.713 179.759 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.374 -0.829 . . . . 1.73 110.092 -179.542 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.63 -53.25 59.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.18 -0.95 . . . . 0.28 110.077 -179.584 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.0 mt -60.83 -43.52 98.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.31 109.747 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.53 -35.3 73.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -0.929 . . . . 1.91 109.573 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -65.62 -41.0 93.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.281 -0.887 . . . . 0.43 109.417 -179.914 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -62.09 -48.31 80.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.842 . . . . 1.57 108.942 179.734 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.06 -34.5 68.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.467 -0.771 . . . . 1.44 109.627 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.37 69.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.64 109.84 -179.716 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.128 -0.983 . . . . 1.21 109.476 -179.863 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.449 -0.574 . . . . 1.7 109.449 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 54.2 m-85 -93.28 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.355 -0.841 . . . . 0.61 109.468 179.955 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.8 m-85 -138.44 -163.97 1.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.58 109.424 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 22.4 p -154.41 161.16 41.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.113 -0.992 . . . . 0.42 109.698 -179.859 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.0 tp -149.01 132.93 17.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 0.36 109.365 179.97 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 34.3 tt0 -85.66 134.33 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 1.37 109.711 -179.921 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' A' ' 338' ' ' PHE . 53.3 mt -123.93 119.96 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.915 . . . . 0.47 109.464 179.839 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.69 45.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 2.1 109.756 -179.906 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.23 138.52 4.44 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.89 -1.284 . . . . 0.42 109.89 179.626 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.9 ttp180 -81.22 -47.11 13.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -1.088 . . . . 2.68 109.317 179.707 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 337' ' ' ARG . 16.4 pt-20 -58.52 -47.83 82.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 2.22 109.383 179.896 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 336' ' ' GLU . 1.8 ttm180 -61.47 -39.95 92.75 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.409 -0.807 . . . . 2.77 109.496 179.797 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' A' ' 332' ' ' ILE . 37.2 t80 -54.9 -54.77 38.33 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.378 -0.826 . . . . 0.43 109.597 -179.895 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.65 -34.52 38.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -0.821 . . . . 1.66 109.773 -179.823 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.89 -50.31 69.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.248 -0.908 . . . . 0.44 110.229 -179.514 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 29.4 m-85 -60.78 -52.47 64.94 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.276 -0.89 . . . . 0.29 109.338 -179.818 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -51.35 -37.11 46.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.364 -0.835 . . . . 2.44 109.734 179.875 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 1.74 109.764 -179.72 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.15 -32.76 72.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.21 -0.931 . . . . 0.3 108.914 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.425 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.5 t-20 -58.79 -54.81 42.92 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.419 -0.801 . . . . 1.22 109.386 179.53 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.32 -30.78 71.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.429 -0.794 . . . . 1.72 109.869 -179.916 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -55.58 32.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.27 110.048 -179.54 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.04 -42.09 97.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -0.854 . . . . 0.29 109.479 -179.737 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.16 -34.7 72.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 1.91 109.507 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 350' ' ' LEU . 17.1 tp -65.2 -42.04 93.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.833 . . . . 0.41 109.235 179.862 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -50.17 73.72 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.768 0.794 . . . . 1.56 108.881 179.519 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -30.3 67.76 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 1.43 109.623 179.61 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.33 69.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.66 109.432 -179.764 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.866 . . . . 1.18 109.379 179.722 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.519 -0.548 . . . . 1.61 109.519 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -93.25 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.324 -0.86 . . . . 0.57 109.498 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.41 -163.93 1.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.53 109.389 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 22.3 p -154.57 161.09 41.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 0.38 109.647 -179.896 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.2 tp -148.91 133.05 17.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.342 -179.938 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 34.3 tt0 -85.76 134.3 33.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.36 109.684 -179.868 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' B' ' 338' ' ' PHE . 53.3 mt -123.85 119.86 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.49 109.531 179.851 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.7 45.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 2.1 109.743 -179.897 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.07 138.57 4.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.906 -1.277 . . . . 0.44 109.906 179.67 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.0 ttp180 -81.22 -47.05 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -1.111 . . . . 2.72 109.347 179.764 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.58 -47.72 83.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.21 109.393 179.858 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.59 -39.98 93.12 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.349 -0.844 . . . . 2.79 109.395 179.874 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' B' ' 332' ' ' ILE . 36.8 t80 -54.88 -54.79 37.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 0.45 109.546 -179.907 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.68 -34.42 38.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.68 109.806 -179.783 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.94 -50.24 69.45 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.226 -0.921 . . . . 0.43 110.204 -179.487 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.607 ' HB2' HD13 ' B' ' 332' ' ' ILE . 29.3 m-85 -60.86 -52.44 65.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.955 . . . . 0.28 109.37 -179.817 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -51.42 -37.0 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 2.52 109.742 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.57 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.121 -0.987 . . . . 1.75 109.776 -179.806 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.14 -32.72 72.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.187 -0.946 . . . . 0.31 108.945 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.5 t-20 -58.78 -54.78 43.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.381 -0.824 . . . . 1.21 109.344 179.494 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.48 -30.69 71.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.456 -0.778 . . . . 1.69 109.828 -179.809 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -55.52 32.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.27 109.995 -179.536 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -42.04 97.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.3 109.374 -179.619 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.17 -34.66 72.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 1.93 109.524 179.889 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' B' ' 350' ' ' LEU . 17.1 tp -65.3 -42.0 93.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.4 109.22 179.861 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -50.25 73.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 1.59 108.859 179.486 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.3 67.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.691 -0.631 . . . . 1.43 109.569 179.634 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.31 69.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.347 -0.846 . . . . 0.65 109.322 -179.646 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.239 -0.913 . . . . 1.19 109.439 179.702 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.467 -0.568 . . . . 2.11 109.467 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -93.45 158.77 15.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.64 109.451 179.943 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.38 -164.0 1.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 0.49 109.37 -179.827 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 22.5 p -154.44 161.15 41.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -0.988 . . . . 0.47 109.71 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.3 tp -149.01 133.02 17.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 0.42 109.333 179.975 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 34.4 tt0 -85.67 134.33 33.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.81 109.745 -179.963 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' HD1' ' C' ' 338' ' ' PHE . 53.1 mt -123.88 119.83 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.42 109.494 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.08 146.72 45.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 2.35 109.745 -179.945 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.0 138.52 4.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.961 -1.256 . . . . 0.41 109.961 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.8 ttp180 -81.15 -47.11 13.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -1.088 . . . . 2.59 109.377 179.696 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.51 -47.94 82.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.386 -0.821 . . . . 2.54 109.333 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.45 -39.88 92.46 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.399 -0.813 . . . . 3.39 109.476 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.625 ' HD1' HD12 ' C' ' 332' ' ' ILE . 36.6 t80 -54.98 -54.69 39.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.47 109.544 -179.881 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -51.77 -34.44 39.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 1.66 109.736 -179.781 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.93 -50.26 69.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.174 -0.953 . . . . 0.61 110.257 -179.511 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' C' ' 332' ' ' ILE . 29.3 m-85 -60.89 -52.37 65.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.33 109.317 -179.876 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -51.46 -37.08 47.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.344 -0.847 . . . . 3.28 109.726 179.909 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.46 77.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.78 109.788 -179.684 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.13 -32.8 72.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.251 -0.906 . . . . 0.38 108.881 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.6 t-20 -58.83 -54.67 44.48 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.437 -0.789 . . . . 1.2 109.381 179.641 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.36 -30.85 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.302 -0.874 . . . . 2.12 109.851 -179.928 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.03 -55.57 32.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.26 110.062 -179.571 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -41.94 97.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 0.4 109.493 -179.673 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.23 -34.67 72.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.243 -0.91 . . . . 2.09 109.436 179.845 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.9 tp -65.29 -41.99 93.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.75 109.2 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.18 73.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.851 . . . . 2.19 108.802 179.541 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.24 67.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.576 -0.703 . . . . 1.34 109.638 179.574 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.56 -29.42 70.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.72 109.369 -179.743 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.369 -0.832 . . . . 1.8 109.39 179.759 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.475 -0.565 . . . . 1.67 109.475 . . . . . . . . . 0 0 . 1 . 056 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -93.34 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.61 109.424 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.7 m-85 -138.48 -163.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.56 109.39 -179.897 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 22.5 p -154.5 161.03 41.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.04 -1.037 . . . . 0.43 109.724 -179.822 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -148.98 133.01 17.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.324 -0.86 . . . . 0.35 109.362 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 34.2 tt0 -85.84 134.43 33.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.37 109.587 -179.739 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.619 HD12 ' HD1' ' D' ' 338' ' ' PHE . 53.0 mt -123.93 119.72 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.341 -0.849 . . . . 0.48 109.482 179.928 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.1 146.72 45.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 2.08 109.722 -179.943 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.463 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.18 138.37 4.36 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.947 -1.261 . . . . 0.4 109.947 179.644 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.9 ttp180 -81.06 -47.09 14.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.297 -1.12 . . . . 2.64 109.371 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.59 -47.67 83.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 2.22 109.372 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -61.69 -39.79 92.68 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.24 -0.912 . . . . 2.74 109.464 179.884 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.619 ' HD1' HD12 ' D' ' 332' ' ' ILE . 37.3 t80 -54.99 -54.75 38.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.368 -0.833 . . . . 0.43 109.627 -179.988 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.57 -34.52 37.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 1.69 109.843 -179.892 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.88 -50.3 69.31 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.207 -0.933 . . . . 0.43 110.208 -179.458 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.601 ' HB2' HD13 ' D' ' 332' ' ' ILE . 29.2 m-85 -60.91 -52.37 65.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.27 109.351 -179.771 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -51.37 -37.13 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.443 -0.785 . . . . 2.45 109.741 179.788 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.07 -49.56 77.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.167 -0.958 . . . . 1.75 109.732 -179.709 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.0 -32.85 72.42 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.26 -0.9 . . . . 0.31 108.962 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.5 t-20 -58.8 -54.7 44.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.427 -0.796 . . . . 1.22 109.395 179.55 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.41 -30.83 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 1.73 109.849 -179.903 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -55.55 32.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.28 110.08 -179.569 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.23 -41.96 97.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.939 . . . . 0.31 109.411 -179.667 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.2 -34.71 72.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.873 . . . . 1.91 109.444 179.902 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.506 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 17.1 tp -65.3 -41.95 93.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.28 -0.887 . . . . 0.43 109.159 179.929 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.22 73.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.57 108.764 179.528 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.97 -30.12 67.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.639 -0.663 . . . . 1.44 109.636 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.71 -29.35 69.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.64 109.302 -179.717 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.896 . . . . 1.21 109.441 179.675 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.31 -0.626 . . . . 1.7 109.31 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 24.2 m-85 -93.83 155.96 16.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.61 109.834 -179.634 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.2 m-85 -138.75 -169.16 2.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.58 109.324 179.892 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 25.0 p -154.01 156.65 37.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.42 109.645 -179.798 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.7 133.64 18.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.36 109.544 -179.869 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.51 131.04 34.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 1.37 109.104 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.39 112.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.47 109.687 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.21 145.74 46.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 2.1 109.371 179.807 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 96.67 136.78 9.12 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.721 -1.352 . . . . 0.42 109.721 179.932 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.0 ttm180 -80.25 -56.45 4.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -1.079 . . . . 2.68 109.528 179.99 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.31 -42.69 87.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 2.22 109.507 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -43.03 95.76 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.283 -0.886 . . . . 2.77 109.447 -179.971 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.6 t80 -55.83 -55.45 32.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.43 109.628 -179.948 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.26 -36.24 30.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.66 109.75 -179.768 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.61 -48.45 77.28 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.231 -0.918 . . . . 0.44 110.058 -179.597 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.14 -55.97 26.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.29 109.303 -179.878 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.48 -34.5 25.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.371 -0.831 . . . . 2.44 109.495 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.1 -49.72 76.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.165 -0.959 . . . . 1.74 109.585 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.58 -34.33 75.43 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.863 . . . . 0.3 108.94 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.36 -54.16 49.92 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.434 -0.791 . . . . 1.22 109.651 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.95 -33.46 75.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.496 -0.752 . . . . 1.72 110.083 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.89 -53.47 57.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 0.27 110.087 -179.546 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.22 -42.59 98.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.29 109.659 -179.607 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.12 -34.18 73.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 1.91 109.716 -179.923 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 350' ' ' LEU . 7.2 tp -64.53 -47.49 78.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.898 . . . . 0.41 109.673 -179.802 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.38 -45.48 94.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.785 . . . . 1.56 109.19 -179.954 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.07 -30.6 64.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.6 -0.687 . . . . 1.43 109.672 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.62 82.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.66 110.05 -179.578 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 1.18 109.685 -179.703 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.183 -0.673 . . . . 1.61 109.183 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 24.6 m-85 -93.83 156.02 16.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.237 -0.914 . . . . 0.57 109.844 -179.715 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.3 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.53 109.31 179.843 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.417 HG23 ' O ' ' B' ' 328' ' ' PHE . 24.8 p -154.06 156.64 37.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.962 . . . . 0.38 109.657 -179.78 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.68 133.54 18.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.36 109.557 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.41 131.07 34.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 1.36 109.188 179.784 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.7 mt -123.46 112.1 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.49 109.65 -179.795 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.24 145.96 45.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.223 -0.923 . . . . 2.1 109.321 179.808 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 96.51 136.83 9.1 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.924 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.0 ttm180 -80.34 -56.52 4.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -1.106 . . . . 2.72 109.445 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.19 -43.01 87.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.342 -0.849 . . . . 2.21 109.469 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.69 -43.23 94.13 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.351 -0.843 . . . . 2.79 109.485 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.8 t80 -55.79 -55.42 32.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.45 109.638 -179.973 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -50.39 -36.14 31.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.277 -0.889 . . . . 1.68 109.871 -179.774 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.51 -48.44 77.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.341 -0.849 . . . . 0.43 110.104 -179.748 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.2 -55.89 27.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.184 -0.948 . . . . 0.28 109.367 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.49 -34.51 25.37 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.442 -0.787 . . . . 2.52 109.5 179.745 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.09 -49.61 76.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.186 -0.946 . . . . 1.75 109.647 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.7 -34.22 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.912 . . . . 0.31 108.885 179.813 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.44 -54.1 50.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.503 -0.748 . . . . 1.21 109.643 179.659 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.04 -33.48 75.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.424 -0.798 . . . . 1.69 110.07 -179.51 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -53.47 57.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.275 -0.89 . . . . 0.27 110.003 -179.527 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.16 -42.71 99.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.28 -0.888 . . . . 0.3 109.591 -179.552 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.04 -34.22 73.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 1.93 109.716 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.423 HD23 HD23 ' A' ' 350' ' ' LEU . 7.2 tp -64.58 -47.37 78.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.4 109.71 -179.832 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.51 93.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.361 -0.837 . . . . 1.59 109.205 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.49 64.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.476 -0.765 . . . . 1.43 109.704 179.735 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.79 81.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.779 . . . . 0.65 109.94 -179.56 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 1.19 109.69 -179.679 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.262 -0.644 . . . . 2.11 109.262 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 24.0 m-85 -93.89 155.74 17.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.64 109.876 -179.645 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.9 m-85 -138.53 -169.02 2.51 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.49 109.352 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 328' ' ' PHE . 24.8 p -154.13 156.56 37.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.038 -1.039 . . . . 0.47 109.605 -179.785 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.61 133.63 18.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.374 -0.829 . . . . 0.42 109.537 -179.815 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.51 131.06 34.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.234 -0.916 . . . . 1.81 109.145 179.838 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.3 mt -123.43 112.02 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.949 . . . . 0.42 109.697 -179.855 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 145.81 46.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 2.35 109.372 179.724 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.63 136.8 9.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.68 -1.368 . . . . 0.41 109.68 179.831 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.0 ttm180 -80.37 -56.39 4.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -1.124 . . . . 2.59 109.509 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.21 -42.96 87.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.275 -0.89 . . . . 2.54 109.461 179.927 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.79 -43.18 94.54 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.252 -0.905 . . . . 3.39 109.489 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.66 -55.5 31.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.47 109.658 -179.966 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.4 -36.2 31.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 1.66 109.795 -179.739 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.42 -48.59 77.17 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.239 -0.913 . . . . 0.61 110.098 -179.714 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.08 -56.07 25.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.33 109.279 -179.825 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.36 -34.63 24.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.404 -0.81 . . . . 3.28 109.509 179.743 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.96 -49.78 76.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.068 -1.02 . . . . 1.78 109.621 -179.92 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.52 -34.37 75.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.885 . . . . 0.38 108.92 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.3 -54.14 50.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.2 109.718 179.693 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.0 -33.43 75.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.424 -0.797 . . . . 2.12 110.119 -179.556 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -53.54 56.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.197 -0.939 . . . . 0.26 109.94 -179.549 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.233 -0.917 . . . . 0.4 109.669 -179.535 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.05 -34.19 73.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.218 -0.926 . . . . 2.09 109.73 -179.975 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.409 HD23 HD23 ' D' ' 350' ' ' LEU . 7.3 tp -64.57 -47.4 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.75 109.657 -179.787 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.49 94.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 2.19 109.171 -179.918 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.59 64.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.523 -0.736 . . . . 1.34 109.613 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.38 -44.74 82.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 0.72 109.952 -179.489 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 1.8 109.682 -179.696 . . . . . . . . 0 0 . 1 . 057 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.179 -0.674 . . . . 1.67 109.179 . . . . . . . . . 0 0 . 1 . 057 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 24.3 m-85 -93.94 155.97 16.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.205 -0.934 . . . . 0.61 109.703 -179.678 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.2 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.353 -0.842 . . . . 0.56 109.337 179.816 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' D' ' 328' ' ' PHE . 25.0 p -154.04 156.77 37.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.129 -0.982 . . . . 0.43 109.657 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.74 133.55 17.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.35 109.561 -179.753 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.53 130.94 34.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 1.37 109.135 179.868 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.0 mt -123.29 112.04 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.48 109.683 -179.813 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 145.85 46.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 2.08 109.41 179.755 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.64 136.7 9.08 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.0 ttm180 -80.29 -56.34 4.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 2.64 109.569 179.88 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.29 -42.91 87.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 2.22 109.42 179.951 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.91 -43.07 95.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.246 -0.908 . . . . 2.74 109.467 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.5 t80 -55.91 -55.3 34.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.43 109.677 -179.969 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.33 -36.22 31.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 1.69 109.777 -179.837 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.59 -48.46 77.28 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.119 -0.988 . . . . 0.43 110.041 -179.592 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -61.1 -56.02 25.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.187 -0.945 . . . . 0.27 109.324 -179.834 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.42 -34.56 24.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.443 -0.785 . . . . 2.45 109.446 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.04 -49.74 76.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.112 -0.992 . . . . 1.75 109.547 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.57 -34.42 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.31 108.938 179.794 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.27 -54.18 49.8 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -0.789 . . . . 1.22 109.684 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.94 -33.4 75.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.368 -0.832 . . . . 1.73 110.096 -179.569 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.5 57.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.28 110.038 -179.559 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.2 -42.55 98.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.31 109.671 -179.573 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.19 -34.12 73.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 1.91 109.695 -179.922 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.409 HD23 HD23 ' C' ' 350' ' ' LEU . 7.3 tp -64.68 -47.39 78.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.43 109.676 -179.776 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -61.32 -45.53 94.07 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.438 -0.789 . . . . 1.57 109.176 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.19 -30.5 64.58 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.521 -0.737 . . . . 1.44 109.649 179.836 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.74 82.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.64 110.004 -179.599 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 1.21 109.778 -179.785 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.561 -0.533 . . . . 1.7 109.561 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -92.92 155.08 17.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.61 109.449 179.874 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 89.1 m-85 -138.66 -167.46 2.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.291 -0.881 . . . . 0.58 109.711 -179.717 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.3 p -152.74 157.41 40.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.42 109.384 -179.865 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 11.0 tp -149.48 132.93 16.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 0.36 109.696 -179.799 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.347 -0.846 . . . . 1.37 109.111 179.682 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.77 113.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.16 -0.962 . . . . 0.47 109.889 -179.742 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -73.98 149.62 41.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 2.1 109.563 179.746 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.16 136.7 9.2 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.836 -1.306 . . . . 0.42 109.836 179.638 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.9 ttt180 -77.8 -61.96 1.83 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.324 -1.104 . . . . 2.68 109.37 179.787 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -39.58 78.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.316 -0.865 . . . . 2.22 109.282 179.802 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.1 87.43 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.263 -0.898 . . . . 2.77 109.577 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.17 -55.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.448 -0.782 . . . . 0.43 109.713 -179.801 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.0 -35.93 36.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.343 -0.848 . . . . 1.66 109.974 -179.717 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.5 -49.61 72.9 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.159 -0.963 . . . . 0.44 110.316 -179.326 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 332' ' ' ILE . 32.4 m-85 -60.74 -49.75 76.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.151 -0.968 . . . . 0.29 109.449 -179.757 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 8.0 ttm180 -51.51 -41.96 61.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.279 -0.888 . . . . 2.44 109.82 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -43.38 98.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.172 -0.955 . . . . 1.74 110.15 -179.55 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -62.04 -42.46 99.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.092 -1.005 . . . . 0.3 109.475 -179.733 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.4 -50.79 72.43 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.22 109.549 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.14 -30.17 70.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.21 -0.931 . . . . 1.72 109.786 -179.936 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.45 -53.71 52.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.27 109.994 -179.651 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.0 -42.31 98.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 0.29 109.662 -179.566 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.66 -36.89 77.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 1.91 109.731 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -64.35 -44.73 90.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.41 109.262 -179.815 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.38 -37.2 82.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.402 -0.811 . . . . 1.56 108.82 179.613 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -57.11 -32.69 66.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.513 -0.742 . . . . 1.43 109.285 179.568 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.31 66.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.323 -0.861 . . . . 0.66 109.417 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.285 -0.884 . . . . 1.18 109.534 179.942 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.55 -0.537 . . . . 1.61 109.55 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -92.99 154.96 17.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.57 109.39 179.896 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 88.6 m-85 -138.57 -167.49 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.53 109.645 -179.755 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -152.71 157.36 40.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.38 109.339 -179.794 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 329' ' ' THR . 11.0 tp -149.44 133.0 16.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.237 -0.915 . . . . 0.36 109.727 -179.862 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 41.8 tt0 -86.63 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 1.36 109.007 179.695 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.2 mt -123.88 113.94 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 109.823 -179.791 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -74.01 149.65 41.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 2.1 109.507 179.765 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.08 136.63 9.16 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.973 -1.251 . . . . 0.44 109.973 179.679 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.401 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.9 ttt180 -77.66 -62.07 1.78 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.129 . . . . 2.72 109.316 179.837 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -39.47 78.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 2.21 109.298 179.935 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.14 87.28 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.323 -0.861 . . . . 2.79 109.617 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.1 -55.87 26.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.825 . . . . 0.45 109.703 -179.833 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.94 -35.97 36.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.68 110.019 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.74 72.7 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.176 -0.953 . . . . 0.43 110.303 -179.344 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.0 m-85 -60.83 -49.6 76.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.28 109.416 -179.655 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.52 -41.99 61.42 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.36 -0.837 . . . . 2.52 109.846 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.14 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.882 . . . . 1.75 110.081 -179.458 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' A' ' 344' ' ' LEU . 72.9 mt -61.97 -42.59 99.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.08 -1.013 . . . . 0.31 109.514 -179.772 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.21 -50.88 71.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.32 -0.863 . . . . 1.21 109.574 179.849 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.34 -30.03 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 1.69 109.655 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.45 -53.69 53.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 0.27 110.074 -179.691 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.04 -42.29 98.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.3 109.599 -179.597 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.65 -36.76 77.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.398 -0.814 . . . . 1.93 109.838 -179.885 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -64.36 -44.73 90.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.4 109.316 -179.938 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.41 -37.26 82.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 1.59 108.725 179.625 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -57.1 -32.67 66.54 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.526 -0.734 . . . . 1.43 109.311 179.563 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.41 66.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.65 109.479 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.857 . . . . 1.19 109.635 179.899 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.282 0.563 . . . . 2.11 109.514 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -92.96 155.03 17.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.185 -0.947 . . . . 0.64 109.322 179.962 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 89.0 m-85 -138.72 -167.52 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -0.848 . . . . 0.49 109.636 -179.75 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.4 p -152.76 157.26 40.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.47 109.447 -179.806 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.1 tp -149.35 132.97 16.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.42 109.678 -179.744 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.82 34.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.81 109.059 179.678 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.51 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.6 mt -123.85 113.9 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.42 109.835 -179.753 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.95 149.74 41.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.35 109.518 179.732 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.03 136.63 9.15 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.905 -1.278 . . . . 0.41 109.905 179.583 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.594 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt180 -77.65 -61.9 1.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -1.124 . . . . 2.59 109.503 179.759 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -39.59 79.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 2.54 109.267 179.813 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -47.18 87.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.39 109.596 179.992 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -54.92 -55.91 25.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.34 -0.85 . . . . 0.47 109.777 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.91 37.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.66 109.979 -179.67 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.78 72.55 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.16 -0.962 . . . . 0.61 110.293 -179.42 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.51 ' HB2' HD13 ' C' ' 332' ' ' ILE . 32.2 m-85 -60.78 -49.61 76.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.33 109.42 -179.646 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 8.1 ttm180 -51.61 -41.95 61.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -0.889 . . . . 3.28 109.787 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.12 -43.39 98.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 1.78 110.144 -179.57 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' D' ' 344' ' ' LEU . 72.2 mt -62.09 -42.53 99.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.213 -0.929 . . . . 0.38 109.421 -179.681 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -50.78 72.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 1.2 109.606 179.883 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -62.34 -30.09 70.92 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.385 -0.822 . . . . 2.12 109.695 -179.843 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.5 -53.66 53.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.253 -0.905 . . . . 0.26 110.016 -179.649 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.0 -42.29 98.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.4 109.695 -179.642 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.61 -36.96 77.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 2.09 109.749 -179.863 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -64.36 -44.76 90.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 0.75 109.261 -179.817 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 16.0 ttmm -61.37 -37.22 82.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.348 -0.845 . . . . 2.19 108.75 179.594 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -57.03 -32.68 66.43 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.471 -0.768 . . . . 1.34 109.331 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.26 66.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.194 -0.941 . . . . 0.72 109.439 179.99 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 1.8 109.515 179.911 . . . . . . . . 0 0 . 1 . 058 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.511 -0.552 . . . . 1.67 109.511 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -93.07 154.98 17.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -0.966 . . . . 0.61 109.376 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 88.6 m-85 -138.54 -167.55 2.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.56 109.704 -179.72 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 17.5 p -152.63 157.47 41.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.43 109.447 -179.87 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.53 132.92 16.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.942 . . . . 0.35 109.686 -179.817 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.53 129.97 34.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.81 . . . . 1.37 109.071 179.629 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.2 mt -123.93 113.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.48 109.826 -179.743 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.99 149.66 41.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.821 . . . . 2.08 109.475 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 136.68 9.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.911 -1.276 . . . . 0.4 109.911 179.565 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.9 ttt180 -77.71 -62.02 1.8 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -1.161 . . . . 2.64 109.375 179.822 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -39.45 78.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.852 . . . . 2.22 109.304 179.89 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -47.05 87.66 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.238 -0.914 . . . . 2.74 109.614 179.921 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.1 -55.84 26.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.429 -0.795 . . . . 0.43 109.691 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.89 37.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 1.69 110.009 -179.661 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.41 -49.72 72.65 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.111 -0.993 . . . . 0.43 110.308 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 32.3 m-85 -60.82 -49.54 77.07 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.241 -0.912 . . . . 0.27 109.492 -179.709 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.54 -42.01 61.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.87 . . . . 2.45 109.835 179.771 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.11 -43.43 98.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.211 -0.93 . . . . 1.75 110.095 -179.501 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' C' ' 344' ' ' LEU . 73.1 mt -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.177 -0.952 . . . . 0.31 109.524 -179.775 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.23 -50.86 72.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.22 109.553 179.928 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.27 -30.1 70.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 1.73 109.674 -179.78 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -53.81 51.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.239 -0.913 . . . . 0.28 110.042 -179.676 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.01 -42.33 98.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.26 -0.9 . . . . 0.31 109.654 -179.551 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.63 -36.82 77.11 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 1.91 109.783 -179.899 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.34 -44.73 90.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.43 109.219 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 15.9 ttmm -61.41 -37.21 82.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.234 -0.916 . . . . 1.57 108.773 179.597 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -57.14 -32.66 66.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.488 -0.757 . . . . 1.44 109.284 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.39 66.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.64 109.434 179.952 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.21 109.586 179.935 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.344 -0.613 . . . . 1.7 109.344 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -93.45 158.4 15.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.911 . . . . 0.61 109.515 -179.971 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 98.6 m-85 -138.8 -171.33 3.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.224 -0.923 . . . . 0.58 109.369 179.921 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 35.2 p -154.36 152.88 30.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.42 109.517 -179.883 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.8 tp -147.57 133.18 18.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.918 . . . . 0.36 109.464 -179.788 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 21.5 tt0 -85.88 135.03 33.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -0.849 . . . . 1.37 109.465 -179.917 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' A' ' 341' ' ' PHE . 35.9 mt -123.42 113.22 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.47 109.379 179.843 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 141.03 46.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.301 -0.874 . . . . 2.1 109.482 -179.937 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.92 10.55 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.788 -1.325 . . . . 0.42 109.788 179.922 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -75.59 -64.24 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -1.171 . . . . 2.68 109.5 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.42 -35.95 70.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 2.22 109.131 179.898 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.449 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.99 -47.54 82.69 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.41 -0.806 . . . . 2.77 109.445 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -56.26 -55.7 30.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 0.43 109.624 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.91 -37.95 54.43 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.418 -0.801 . . . . 1.66 110.264 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.06 -47.68 81.89 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.149 -0.969 . . . . 0.44 110.34 -179.162 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.67 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.4 m-85 -61.81 -49.43 76.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.29 109.451 -179.588 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.37 -37.35 47.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.371 -0.831 . . . . 2.44 109.857 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.4 -50.98 71.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.74 110.013 -179.558 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 344' ' ' LEU . 86.1 mt -60.99 -33.7 73.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.181 -0.949 . . . . 0.3 108.996 179.962 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.59 ' HB2' HD21 ' C' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.67 31.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 1.22 109.512 179.633 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.84 -28.19 69.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.72 109.836 -179.712 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -57.75 11.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.88 . . . . 0.27 109.927 -179.642 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.61 -37.43 81.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.29 109.409 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.05 -36.27 76.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.181 -0.949 . . . . 1.91 109.506 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 350' ' ' LEU . 20.4 tp -64.24 -43.41 94.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.41 109.469 179.918 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.52 -47.07 87.25 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.773 . . . . 1.56 109.079 179.896 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.22 -29.67 65.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.594 -0.691 . . . . 1.43 109.783 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.7 90.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.893 . . . . 0.66 110.003 -179.281 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 1.18 109.771 -179.83 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.363 -0.606 . . . . 1.61 109.363 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -93.49 158.47 15.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.57 109.494 -179.91 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.89 -171.5 3.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.53 109.393 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.552 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 34.9 p -154.18 153.15 31.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 0.38 109.43 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -147.7 133.12 18.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.36 109.416 -179.81 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 21.6 tt0 -85.87 135.14 33.82 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.31 -0.869 . . . . 1.36 109.501 179.924 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.679 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.3 mt -123.57 113.29 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.49 109.355 179.83 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 140.98 46.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.428 -0.795 . . . . 2.1 109.52 -179.942 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.46 139.9 10.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -75.51 -64.34 1.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 2.72 109.523 179.848 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.26 -36.12 70.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.854 . . . . 2.21 109.125 179.885 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.89 -47.66 82.13 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.461 179.907 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' B' ' 332' ' ' ILE . 41.4 t80 -56.1 -55.82 28.38 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.474 -0.766 . . . . 0.45 109.655 179.897 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.75 -38.11 54.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 1.68 110.234 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.04 -47.69 81.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.123 -0.986 . . . . 0.43 110.297 -179.042 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.679 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -61.74 -49.39 76.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.28 109.54 -179.635 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.33 -37.46 47.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.382 -0.824 . . . . 2.52 109.921 179.961 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.2 -51.22 70.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.143 -0.973 . . . . 1.75 110.038 -179.646 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 344' ' ' LEU . 86.5 mt -60.92 -33.65 73.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.31 109.01 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.541 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.79 30.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.5 -0.75 . . . . 1.21 109.496 179.658 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.62 -28.3 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.69 109.857 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.31 -57.63 11.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.943 . . . . 0.27 109.975 -179.606 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.76 -37.3 81.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.3 109.372 -179.835 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.06 -36.39 77.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.93 109.389 179.746 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.4 tp -64.22 -43.41 95.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.4 109.524 -180.0 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.48 -47.16 86.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.382 -0.824 . . . . 1.59 109.022 179.858 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.12 -29.72 65.74 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.415 0.626 . . . . 1.43 109.865 179.771 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.8 91.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.266 -0.896 . . . . 0.65 110.024 -179.229 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.19 109.714 -179.774 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.298 -0.63 . . . . 2.11 109.298 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -93.3 158.45 15.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.27 -0.894 . . . . 0.64 109.544 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.89 -171.43 3.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.49 109.412 179.885 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 34.9 p -154.23 152.92 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.938 . . . . 0.47 109.543 -179.922 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.8 tp -147.48 133.25 18.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.42 109.381 -179.715 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 21.5 tt0 -86.07 135.05 33.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 1.81 109.48 179.986 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.669 HD13 ' HB2' ' C' ' 341' ' ' PHE . 35.8 mt -123.44 113.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.138 -0.976 . . . . 0.42 109.403 179.815 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 141.0 46.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.377 -0.827 . . . . 2.35 109.499 -179.915 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.84 10.51 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.756 -1.338 . . . . 0.41 109.756 179.871 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -75.46 -64.27 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -1.047 . . . . 2.59 109.545 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.33 -35.95 70.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.877 . . . . 2.54 109.208 179.86 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.44 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.61 82.45 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 3.39 109.405 179.874 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.576 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -56.18 -55.72 29.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.478 -0.764 . . . . 0.47 109.621 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.01 -37.86 54.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.39 -0.819 . . . . 1.66 110.208 -179.63 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.07 -47.64 82.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.061 -1.024 . . . . 0.61 110.45 -179.173 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.669 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.2 m-85 -61.85 -49.26 76.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 0.33 109.515 -179.679 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.45 -37.44 48.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 3.28 109.79 179.993 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.36 -50.98 71.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.134 -0.979 . . . . 1.78 110.006 -179.529 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.0 -33.76 73.75 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.934 . . . . 0.38 108.955 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.3 t-20 -59.36 -55.61 32.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.2 109.589 179.64 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.91 -28.11 69.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.427 -0.795 . . . . 2.12 109.865 -179.759 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -57.65 11.87 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.26 109.911 -179.653 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.79 -37.34 81.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.4 109.372 -179.74 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.01 -36.37 77.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.342 -0.849 . . . . 2.09 109.429 179.769 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.494 HD11 HE22 ' D' ' 354' ' ' GLN . 20.4 tp -64.23 -43.39 95.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.292 -0.88 . . . . 0.75 109.458 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.23 86.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.395 -0.816 . . . . 2.19 109.021 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.05 -29.64 65.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.588 -0.695 . . . . 1.34 109.891 179.707 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.6 90.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.311 -0.868 . . . . 0.72 110.067 -179.267 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 1.8 109.741 -179.854 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.357 -0.609 . . . . 1.67 109.357 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -93.37 158.46 15.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.313 -0.867 . . . . 0.61 109.539 -179.969 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.92 -171.4 3.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.195 -0.941 . . . . 0.56 109.437 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 34.8 p -154.26 153.01 30.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.43 109.427 -179.87 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.8 tp -147.59 133.14 18.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.35 109.515 -179.855 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 21.5 tt0 -85.97 135.11 33.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 1.37 109.429 -179.941 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.667 HD13 ' HB2' ' D' ' 341' ' ' PHE . 35.9 mt -123.53 113.37 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.48 109.315 179.86 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 141.0 46.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.341 -0.849 . . . . 2.08 109.501 -179.957 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.5 139.83 10.47 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.765 -1.334 . . . . 0.4 109.765 179.856 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -75.45 -64.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -1.118 . . . . 2.64 109.458 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.32 -35.95 70.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.262 -0.899 . . . . 2.22 109.157 179.97 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.433 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.64 82.34 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.311 -0.868 . . . . 2.74 109.366 179.844 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' D' ' 332' ' ' ILE . 41.3 t80 -56.21 -55.75 29.41 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.438 -0.789 . . . . 0.43 109.579 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.86 -38.04 54.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.415 -0.803 . . . . 1.69 110.247 -179.651 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.096 -1.002 . . . . 0.43 110.296 -179.05 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.667 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.2 m-85 -61.84 -49.38 76.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.131 -0.98 . . . . 0.27 109.491 -179.632 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -51.38 -37.43 48.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 2.45 109.854 179.99 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.3 -51.21 70.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 1.75 109.884 -179.535 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' D' ' 344' ' ' LEU . 86.6 mt -60.82 -33.79 73.56 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.973 . . . . 0.31 108.99 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -59.33 -55.78 30.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.504 -0.748 . . . . 1.22 109.52 179.662 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.79 -28.13 69.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 1.73 109.897 -179.749 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -57.6 12.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.28 109.973 -179.673 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -37.34 81.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.31 109.333 -179.822 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.03 -36.32 77.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 1.91 109.484 179.77 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' D' ' 350' ' ' LEU . 20.5 tp -64.41 -43.3 94.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.43 109.415 -179.888 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.06 87.35 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.362 -0.836 . . . . 1.57 109.07 179.82 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.32 -29.62 66.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 1.44 109.799 179.775 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.73 90.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.64 109.991 -179.291 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.494 HE22 HD11 ' C' ' 350' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.085 -1.009 . . . . 1.21 109.744 -179.818 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.3 -0.63 . . . . 1.7 109.3 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.19 152.14 18.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.16 -0.963 . . . . 0.61 109.66 -179.961 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.3 m-85 -141.23 -174.88 4.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -0.892 . . . . 0.58 109.495 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.2 p -152.09 158.91 43.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.42 109.36 -179.91 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.13 132.78 16.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.36 109.548 -179.65 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 15.8 tt0 -85.96 129.75 34.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 1.37 109.381 179.825 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.81 116.92 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.47 109.646 -179.956 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.28 148.94 40.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.883 . . . . 2.1 109.534 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.51 136.26 7.44 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.726 -1.35 . . . . 0.42 109.726 179.622 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 15.5 ttm180 -81.93 -52.11 7.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.417 -1.049 . . . . 2.68 109.704 179.931 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.16 -46.53 85.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.828 . . . . 2.22 109.576 -179.968 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.67 96.32 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.249 -0.907 . . . . 2.77 109.624 -179.693 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.3 t80 -55.22 -55.01 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.46 -0.775 . . . . 0.43 109.868 -179.61 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -51.21 -37.61 47.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.892 . . . . 1.66 110.011 -179.491 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.03 -48.33 79.23 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.21 -0.932 . . . . 0.44 110.357 -179.273 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.64 -49.14 78.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.29 109.392 -179.664 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.76 -43.39 62.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 2.44 109.829 -179.957 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.38 -40.75 91.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.267 -0.896 . . . . 1.74 109.998 -179.55 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' B' ' 344' ' ' LEU . 23.8 mt -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.137 -0.977 . . . . 0.3 109.42 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -58.21 -49.85 75.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 1.22 109.642 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 1.72 109.881 -179.656 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -55.78 29.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 0.27 110.105 -179.583 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.65 -39.11 87.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.863 . . . . 0.29 109.611 -179.535 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.82 -38.02 80.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.351 -0.843 . . . . 1.91 109.627 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.745 HD11 ' NE2' ' B' ' 354' ' ' GLN . 1.5 tt -64.8 -39.9 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.303 -0.873 . . . . 0.41 109.311 -179.732 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.703 ' HD3' HD12 ' B' ' 350' ' ' LEU . 0.7 OUTLIER -60.46 -48.02 83.59 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.609 -0.886 . . . . 1.56 108.609 179.521 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -29.88 64.82 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.731 -0.606 . . . . 1.43 109.372 179.423 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.45 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.447 -0.783 . . . . 0.66 109.57 -179.737 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.512 ' NE2' HD11 ' B' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.18 109.331 179.746 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 1.61 109.334 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -95.17 152.35 18.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -0.97 . . . . 0.57 109.587 -179.962 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.0 m-85 -141.36 -174.81 4.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.53 109.508 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.2 p -152.1 158.93 43.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.137 -0.977 . . . . 0.38 109.316 -179.831 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.18 132.81 16.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.176 -0.952 . . . . 0.36 109.644 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 15.9 tt0 -86.05 129.68 34.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.36 109.289 179.947 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.86 117.12 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -0.93 . . . . 0.49 109.578 179.991 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.52 148.96 40.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 2.1 109.444 179.873 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.45 136.07 7.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.765 -1.334 . . . . 0.44 109.765 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 15.7 ttm180 -81.78 -52.13 7.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.347 -1.09 . . . . 2.72 109.65 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.37 -46.22 86.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.21 109.642 -179.884 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.03 -41.61 96.89 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.302 -0.874 . . . . 2.79 109.609 -179.762 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.6 t80 -55.21 -55.11 35.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.421 -0.8 . . . . 0.45 109.883 -179.645 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -51.06 -37.63 46.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -0.856 . . . . 1.68 110.093 -179.551 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.12 -48.2 79.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.142 -0.974 . . . . 0.43 110.347 -179.263 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.76 -49.03 79.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.176 -0.952 . . . . 0.28 109.48 -179.644 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.77 -43.41 62.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.369 -0.832 . . . . 2.52 109.796 179.972 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.23 -40.89 91.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 1.75 110.006 -179.62 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 344' ' ' LEU . 24.0 mt -62.09 -43.92 97.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.306 -0.871 . . . . 0.31 109.448 -179.76 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.15 -49.8 75.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.357 -0.839 . . . . 1.21 109.764 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.5 -31.15 71.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.917 . . . . 1.69 109.914 -179.786 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -55.75 29.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.27 110.105 -179.666 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.69 -39.07 87.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.3 109.536 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.84 -37.91 80.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.328 -0.858 . . . . 1.93 109.689 179.922 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.748 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -64.85 -39.92 94.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.4 109.35 -179.807 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -48.09 83.24 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.576 -0.898 . . . . 1.59 108.576 179.539 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.91 64.75 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.335 -0.617 . . . . 1.43 109.335 179.457 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.37 74.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.65 109.51 -179.697 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.745 ' NE2' HD11 ' A' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 1.19 109.324 179.787 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.316 -0.624 . . . . 2.11 109.316 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.2 152.44 18.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.154 -0.966 . . . . 0.64 109.541 -179.904 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -141.38 -174.88 4.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.2 -0.938 . . . . 0.49 109.475 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.515 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.1 p -152.11 159.01 43.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.47 109.307 -179.908 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.26 132.74 16.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.256 -0.902 . . . . 0.42 109.561 -179.684 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -85.96 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 1.81 109.397 179.824 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.85 117.04 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.167 -0.958 . . . . 0.42 109.561 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.37 148.93 40.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 2.35 109.494 179.778 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.44 7.51 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.7 -1.36 . . . . 0.41 109.7 179.658 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 15.5 ttm180 -82.16 -52.07 7.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -1.133 . . . . 2.59 109.656 179.928 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.32 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.895 . . . . 2.54 109.592 -179.942 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.255 -0.903 . . . . 3.39 109.738 -179.8 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.3 t80 -55.25 -55.02 36.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.745 . . . . 0.47 109.913 -179.634 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.06 -37.66 46.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.246 -0.909 . . . . 1.66 110.029 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.19 -48.27 79.05 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.179 -0.951 . . . . 0.61 110.269 -179.147 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.67 -49.09 78.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.33 109.448 -179.637 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.55 -43.6 62.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.374 -0.829 . . . . 3.28 109.841 179.931 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.22 -40.89 91.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -0.907 . . . . 1.78 109.966 -179.464 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' D' ' 344' ' ' LEU . 23.6 mt -62.13 -43.83 97.97 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.26 -0.9 . . . . 0.38 109.455 -179.726 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 1.2 109.671 179.975 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.43 -31.32 72.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.303 -0.873 . . . . 2.12 109.858 -179.68 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.2 -0.937 . . . . 0.26 110.085 -179.581 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.64 -39.12 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.319 -0.863 . . . . 0.4 109.581 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.78 -38.07 80.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.26 -0.9 . . . . 2.09 109.676 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.729 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.71 -39.97 94.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.226 -0.922 . . . . 0.75 109.367 -179.777 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.11 83.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 2.19 108.644 179.497 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -29.88 64.63 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.407 0.622 . . . . 1.34 109.373 179.395 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.34 73.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.72 109.491 -179.615 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' D' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.8 109.314 179.812 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.328 -0.619 . . . . 1.67 109.328 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -95.13 152.26 18.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.984 . . . . 0.61 109.564 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -141.32 -174.85 4.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.872 . . . . 0.56 109.402 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.9 p -152.13 158.88 43.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -0.934 . . . . 0.43 109.265 -179.849 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -149.11 132.83 16.89 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.35 109.656 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 15.8 tt0 -86.06 129.92 34.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 1.37 109.332 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.1 mt -123.88 116.88 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.142 -0.974 . . . . 0.48 109.594 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.21 149.04 41.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.349 -0.844 . . . . 2.08 109.529 179.712 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.32 136.31 7.37 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.801 -1.32 . . . . 0.4 109.801 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 15.6 ttm180 -82.04 -52.08 7.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.256 -1.144 . . . . 2.64 109.584 179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.32 -46.44 86.18 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.935 . . . . 2.22 109.567 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.62 96.23 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.259 -0.9 . . . . 2.74 109.7 -179.747 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -55.11 -55.09 34.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.413 -0.804 . . . . 0.43 109.911 -179.693 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.16 -37.65 47.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 1.69 110.022 -179.502 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.07 -48.32 79.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.134 -0.979 . . . . 0.43 110.263 -179.215 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.75 -48.91 79.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.122 -0.986 . . . . 0.27 109.5 -179.594 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -51.81 -43.46 63.11 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.401 -0.812 . . . . 2.45 109.817 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.24 -40.88 91.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.75 109.957 -179.577 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' C' ' 344' ' ' LEU . 23.8 mt -62.15 -43.8 98.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.221 -0.924 . . . . 0.31 109.44 -179.759 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.17 -49.93 75.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 1.22 109.648 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.39 -31.23 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.835 . . . . 1.73 109.921 -179.727 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.48 -55.71 30.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.28 110.036 -179.558 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.62 -39.16 87.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.31 109.61 -179.548 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.82 -37.98 80.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 1.91 109.654 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.726 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.78 -39.9 94.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 0.43 109.301 -179.71 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.618 ' HD3' HD12 ' C' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.15 82.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.57 108.659 179.487 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -29.86 64.77 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.701 -0.625 . . . . 1.44 109.356 179.452 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.34 73.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.64 109.548 -179.718 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' C' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.21 109.364 179.723 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 328' ' ' PHE . 37.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.415 -0.587 . . . . 1.7 109.415 . . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 17.9 m-85 -95.07 150.13 20.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.61 109.65 -179.905 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 58.6 m-85 -140.65 138.49 34.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 0.58 109.091 179.245 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.27 170.99 9.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.42 109.904 -179.536 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.2 tp -149.83 131.03 14.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.43 -0.794 . . . . 0.36 109.412 179.774 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.65 124.16 32.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.177 -0.952 . . . . 1.37 109.561 -179.842 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.488 HG21 ' HD2' ' A' ' 341' ' ' PHE . 25.4 mt -124.16 113.9 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.47 109.612 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 0.2 OUTLIER -73.57 148.17 43.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 2.1 109.621 179.709 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.02 134.53 7.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.928 -1.269 . . . . 0.42 109.928 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -83.54 -51.5 7.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.309 -1.112 . . . . 2.68 109.354 179.81 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.46 85.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 2.22 109.221 179.823 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.75 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.28 86.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.236 -0.915 . . . . 2.77 109.181 179.796 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' C' ' 330' ' ' LEU . 27.1 t80 -53.95 -52.93 59.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.418 -0.801 . . . . 0.43 109.194 179.883 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -51.77 -35.39 43.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 1.66 109.802 -179.8 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.219 -0.926 . . . . 0.44 109.971 -179.391 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.488 ' HD2' HG21 ' A' ' 332' ' ' ILE . 18.5 m-85 -60.7 -47.21 87.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.29 109.364 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.3 62.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 2.44 109.852 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.1 -48.61 81.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.184 -0.948 . . . . 1.74 109.831 -179.489 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' B' ' 344' ' ' LEU . 74.2 mt -61.37 -33.67 74.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.17 -0.956 . . . . 0.3 109.164 -179.888 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.94 -57.37 13.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 1.22 109.453 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -29.01 70.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 1.72 109.873 -179.55 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -57.03 13.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.27 109.885 -179.546 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.786 HD13 ' NH1' ' C' ' 337' ' ' ARG . 15.8 mt -61.17 -41.16 96.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -0.886 . . . . 0.29 109.595 -179.465 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.59 -37.61 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 1.91 109.813 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -65.19 -40.88 94.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.41 109.24 -179.752 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.76 -46.96 87.34 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.673 0.749 . . . . 1.56 109.217 179.719 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -31.43 61.65 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.562 -0.711 . . . . 1.43 109.6 179.937 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.62 90.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.66 109.345 -179.936 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.18 109.473 179.599 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.407 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 37.4 mt-10 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.445 -0.576 . . . . 1.61 109.445 . . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.51 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 17.8 m-85 -94.97 150.2 20.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.169 -0.957 . . . . 0.57 109.639 -179.863 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 59.1 m-85 -140.79 138.36 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.53 109.058 179.293 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -91.26 171.17 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.38 109.961 -179.511 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.92 130.98 14.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.416 -0.802 . . . . 0.36 109.339 179.882 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.6 124.17 32.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 1.36 109.609 -179.932 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.489 HG21 ' HD2' ' B' ' 341' ' ' PHE . 25.7 mt -124.2 114.07 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.194 -0.941 . . . . 0.49 109.584 179.877 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -73.67 148.25 42.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 2.1 109.593 179.789 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.96 134.6 7.32 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.595 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -83.63 -51.46 7.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.143 . . . . 2.72 109.41 179.704 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.4 85.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 2.21 109.218 179.791 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.709 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -61.61 -38.27 86.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.256 -0.903 . . . . 2.79 109.136 179.899 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.89 -52.98 58.76 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.427 -0.796 . . . . 0.45 109.197 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.75 -35.5 43.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.321 -0.862 . . . . 1.68 109.698 -179.763 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.63 74.25 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.207 -0.933 . . . . 0.43 109.97 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.489 ' HD2' HG21 ' B' ' 332' ' ' ILE . 18.7 m-85 -60.59 -47.24 87.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.114 -0.991 . . . . 0.28 109.352 -179.955 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.31 62.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.8 . . . . 2.52 109.832 -179.956 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -48.37 82.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 1.75 109.904 -179.499 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' A' ' 344' ' ' LEU . 74.3 mt -61.48 -33.67 74.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.31 109.12 -179.93 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.99 -57.45 12.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.382 -0.824 . . . . 1.21 109.491 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -29.0 70.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.418 -0.801 . . . . 1.69 110.024 -179.664 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.93 14.1 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.252 -0.905 . . . . 0.27 109.969 -179.611 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.702 HD13 ' NH1' ' D' ' 337' ' ' ARG . 15.5 mt -61.19 -41.13 96.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.276 -0.89 . . . . 0.3 109.622 -179.513 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.67 79.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.93 109.762 -179.824 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.719 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.19 -40.95 94.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.337 -0.852 . . . . 0.4 109.277 -179.683 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -46.67 88.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.474 -0.767 . . . . 1.59 109.199 179.738 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -31.43 61.93 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.523 -0.736 . . . . 1.43 109.637 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.59 90.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.65 109.329 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.612 ' OE1' HD11 ' A' ' 350' ' ' LEU . 67.9 mt-30 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.383 -0.823 . . . . 1.19 109.487 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.405 ' HB2' ' CZ ' ' C' ' 328' ' ' PHE . 37.5 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 2.11 109.371 . . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 18.1 m-85 -95.05 150.15 20.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.64 109.708 -179.956 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 59.6 m-85 -140.62 138.59 34.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.49 109.017 179.234 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.36 171.04 9.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.468 -0.77 . . . . 0.47 109.937 -179.5 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 338' ' ' PHE . 16.3 tp -149.81 131.01 14.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 0.42 109.388 179.785 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.57 124.14 32.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 1.81 109.692 -179.994 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.5 HG21 ' HD2' ' C' ' 341' ' ' PHE . 25.5 mt -124.09 114.01 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.913 . . . . 0.42 109.685 179.88 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.529 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -73.61 148.16 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 2.35 109.537 179.846 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.93 134.63 7.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.896 -1.282 . . . . 0.41 109.896 179.623 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -83.67 -51.41 7.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.59 109.353 179.788 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -58.2 -46.41 85.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 2.54 109.181 179.849 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.786 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.21 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.244 -0.91 . . . . 3.39 109.255 179.762 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.08 -52.88 59.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.457 -0.777 . . . . 0.47 109.116 179.899 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.76 -35.5 43.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.384 -0.823 . . . . 1.66 109.731 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.6 74.38 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.22 -0.925 . . . . 0.61 110.002 -179.45 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.5 ' HD2' HG21 ' C' ' 332' ' ' ILE . 18.6 m-85 -60.62 -47.18 87.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.33 109.331 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.04 -41.35 62.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.393 -0.817 . . . . 3.28 109.812 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.08 -48.56 81.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.969 . . . . 1.78 109.87 -179.547 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.4 -33.69 74.11 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.928 . . . . 0.38 109.109 -179.851 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.01 -57.51 12.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.409 -0.807 . . . . 1.2 109.371 179.712 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -29.03 70.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.32 -0.863 . . . . 2.12 109.972 -179.668 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.85 -57.05 13.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.26 110.021 -179.592 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.75 HD13 ' NH1' ' A' ' 337' ' ' ARG . 15.6 mt -61.09 -41.23 96.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.331 -0.855 . . . . 0.4 109.623 -179.527 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.56 79.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 2.09 109.796 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.3 -40.87 94.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 0.75 109.21 -179.696 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.6 OUTLIER -61.81 -46.86 87.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 2.19 109.145 179.761 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -31.42 61.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.552 -0.718 . . . . 1.34 109.586 179.923 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.63 90.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.72 109.31 -179.995 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.501 ' OE1' HD11 ' D' ' 350' ' ' LEU . 68.1 mt-30 . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.236 -0.915 . . . . 1.8 109.42 179.705 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' D' ' 328' ' ' PHE . 37.4 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.398 -0.593 . . . . 1.67 109.398 . . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 17.9 m-85 -94.93 150.13 20.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.324 -0.86 . . . . 0.61 109.711 -179.941 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 58.6 m-85 -140.67 138.64 34.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.23 -0.919 . . . . 0.56 109.071 179.241 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.53 171.1 9.41 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.426 -0.796 . . . . 0.43 109.885 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.82 130.99 14.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.35 109.418 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.64 124.2 32.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.322 -0.861 . . . . 1.37 109.549 -179.945 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' D' ' 341' ' ' PHE . 25.7 mt -124.18 113.77 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.265 -0.897 . . . . 0.48 109.706 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.2 OUTLIER -73.43 148.17 43.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 2.08 109.743 179.747 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.1 134.61 7.38 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.811 -1.316 . . . . 0.4 109.811 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -83.62 -51.51 7.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -1.084 . . . . 2.64 109.378 179.703 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.04 -46.47 85.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 2.22 109.298 179.772 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.702 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -61.49 -38.19 86.41 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.313 -0.867 . . . . 2.74 109.226 179.753 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.03 -53.01 58.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.46 -0.775 . . . . 0.43 109.094 179.924 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -51.63 -35.55 42.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.923 . . . . 1.69 109.759 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.73 -49.57 74.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.179 -0.951 . . . . 0.43 110.083 -179.452 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.499 ' HD2' HG21 ' D' ' 332' ' ' ILE . 18.6 m-85 -60.65 -47.22 87.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.27 109.405 179.893 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.93 -41.43 62.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.419 -0.801 . . . . 2.45 109.87 179.94 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.121 -0.987 . . . . 1.75 109.906 -179.565 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.48 -33.69 74.2 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.128 -0.982 . . . . 0.31 109.066 -179.884 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.07 -57.41 12.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.34 -0.85 . . . . 1.22 109.408 179.692 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.93 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.425 -0.797 . . . . 1.73 109.987 -179.72 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -57.05 13.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.28 109.945 -179.576 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.709 HD13 ' NH1' ' B' ' 337' ' ' ARG . 15.6 mt -61.18 -41.11 96.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.27 -0.894 . . . . 0.31 109.587 -179.53 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -59.65 -37.58 79.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.91 109.8 -179.833 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.29 -40.74 94.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.43 109.275 -179.689 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.503 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.85 -46.86 87.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.523 -0.736 . . . . 1.57 109.183 179.682 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -31.36 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.557 -0.714 . . . . 1.44 109.582 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.63 90.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.64 109.28 179.968 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' C' ' 350' ' ' LEU . 68.0 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.838 . . . . 1.21 109.446 179.734 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.043 0.449 . . . . 1.7 109.802 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -97.74 155.04 17.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.61 109.734 179.762 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.65 -171.81 3.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.873 . . . . 0.58 109.366 179.798 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.479 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 61.9 p -152.6 160.47 43.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.117 -0.989 . . . . 0.42 109.432 -179.778 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.14 134.28 18.22 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.316 -0.865 . . . . 0.36 109.501 -179.69 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -85.88 128.33 34.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.37 109.31 179.92 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.6 mt -123.89 111.75 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.47 109.542 -179.937 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.32 153.79 40.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.228 -0.92 . . . . 2.1 109.429 179.773 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 126.14 2.62 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.586 -1.406 . . . . 0.42 109.586 179.853 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.4 OUTLIER -72.54 -52.51 15.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -1.06 . . . . 2.68 109.777 -179.924 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.74 -47.76 81.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 2.22 109.738 -179.669 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.63 -40.5 92.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.243 -0.911 . . . . 2.77 109.602 -179.742 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.6 t80 -54.92 -55.83 26.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.43 109.795 -179.686 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -51.6 -37.17 48.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.332 -0.855 . . . . 1.66 110.119 -179.56 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -62.68 -46.21 89.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.095 -1.003 . . . . 0.44 110.029 -179.374 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.1 m-85 -61.21 -52.05 66.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.29 109.437 -179.721 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 2.44 109.845 -179.888 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.84 -50.53 73.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 1.74 109.892 -179.616 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -60.87 -33.59 73.31 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.3 109.035 179.881 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.521 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.2 t-20 -59.0 -55.18 38.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.22 109.586 179.6 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.16 -27.99 69.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.433 -0.792 . . . . 1.72 110.0 -179.727 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.03 -56.1 25.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.27 110.235 -179.448 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' A' ' 351' ' ' LYS . 45.0 mt -60.51 -41.96 95.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.29 109.73 -179.428 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.11 -36.86 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 1.91 109.48 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.63 -39.69 91.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.41 109.499 -179.905 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -61.45 -45.83 92.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.507 -0.745 . . . . 1.56 109.045 179.942 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -59.44 -34.01 71.97 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.496 -0.752 . . . . 1.43 109.654 179.65 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.81 66.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.66 109.478 -179.779 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.627 ' OE1' HD21 ' B' ' 350' ' ' LEU . 1.3 mt-30 . . . . . 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 1.18 109.424 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.16 0.505 . . . . 1.61 109.742 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -97.78 155.08 17.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.57 109.683 179.821 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -140.77 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.376 -0.828 . . . . 0.53 109.351 179.924 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 61.5 p -152.69 160.48 43.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.38 109.345 -179.852 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.4 tp -149.07 134.28 18.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.891 . . . . 0.36 109.481 -179.665 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.78 128.25 34.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.36 109.385 179.872 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' B' ' 341' ' ' PHE . 52.3 mt -123.87 111.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 0.49 109.563 -179.906 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 154.05 40.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -0.893 . . . . 2.1 109.453 179.766 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.47 126.25 2.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.676 -1.369 . . . . 0.44 109.676 179.899 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.4 OUTLIER -72.73 -52.4 15.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.346 -1.091 . . . . 2.72 109.753 -179.849 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.85 -47.76 81.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 2.21 109.755 -179.696 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -60.5 -40.49 91.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.288 -0.883 . . . . 2.79 109.686 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.7 t80 -54.97 -55.73 27.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.443 -0.785 . . . . 0.45 109.821 -179.695 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -51.69 -37.09 49.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 1.68 110.076 -179.569 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.87 -45.99 89.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.115 -0.991 . . . . 0.43 110.123 -179.37 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.8 m-85 -61.35 -52.0 66.47 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.117 -0.989 . . . . 0.28 109.43 -179.81 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -51.09 -37.08 43.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.354 -0.841 . . . . 2.52 109.84 -179.966 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.76 -50.53 73.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 1.75 109.869 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' A' ' 344' ' ' LEU . 73.3 mt -60.83 -33.64 73.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.16 -0.962 . . . . 0.31 109.044 179.824 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.2 t-20 -58.86 -55.4 35.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.511 -0.743 . . . . 1.21 109.566 179.619 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.07 -27.93 69.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.419 -0.801 . . . . 1.69 110.092 -179.702 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.05 -56.05 25.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.185 -0.947 . . . . 0.27 110.273 -179.513 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.441 HD23 ' NZ ' ' B' ' 351' ' ' LYS . 44.6 mt -60.5 -42.11 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.945 . . . . 0.3 109.65 -179.436 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.04 -36.8 75.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.957 . . . . 1.93 109.518 179.927 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.78 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.72 -39.62 91.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.335 -0.853 . . . . 0.4 109.52 -179.959 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.441 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -61.58 -45.74 92.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.415 -0.803 . . . . 1.59 108.998 179.996 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -59.58 -33.91 72.04 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.719 . . . . 1.43 109.629 179.626 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -25.76 66.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.925 . . . . 0.65 109.506 -179.83 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.636 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.233 -0.917 . . . . 1.19 109.466 179.818 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.688 -0.486 . . . . 2.11 109.688 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -97.8 154.99 17.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.64 109.685 179.834 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.6 m-85 -140.68 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.333 -0.854 . . . . 0.49 109.395 179.833 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.507 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 60.7 p -152.61 160.44 43.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.98 . . . . 0.47 109.414 -179.773 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.05 134.27 18.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.42 109.478 -179.64 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.94 128.33 34.82 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.883 . . . . 1.81 109.318 179.886 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 341' ' ' PHE . 52.6 mt -123.83 111.85 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.42 109.617 -179.963 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 153.88 40.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 2.35 109.271 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.67 126.35 2.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.67 -1.372 . . . . 0.41 109.67 179.849 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.4 OUTLIER -72.87 -52.46 14.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -1.163 . . . . 2.59 109.746 -179.896 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.9 -47.51 82.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 2.54 109.756 -179.688 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 5.9 ttm180 -60.6 -40.67 92.64 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -0.907 . . . . 3.39 109.632 -179.861 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.5 t80 -54.84 -55.83 26.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.888 . . . . 0.47 109.819 -179.697 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -51.76 -37.03 49.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.383 -0.823 . . . . 1.66 110.094 -179.519 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.17 89.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.111 -0.993 . . . . 0.61 110.017 -179.394 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -52.12 66.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.208 -0.933 . . . . 0.33 109.445 -179.796 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.11 -37.04 43.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 3.28 109.834 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.77 -50.54 73.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.121 -0.987 . . . . 1.78 109.81 -179.506 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' D' ' 344' ' ' LEU . 73.1 mt -60.83 -33.64 73.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.155 -0.966 . . . . 0.38 108.991 179.926 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.3 t-20 -58.92 -55.28 37.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 1.2 109.504 179.682 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.12 -28.0 69.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.353 -0.842 . . . . 2.12 110.039 -179.658 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.09 -56.03 25.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.129 -0.982 . . . . 0.26 110.213 -179.452 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.454 HD23 ' NZ ' ' C' ' 351' ' ' LYS . 44.6 mt -60.65 -42.01 96.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.4 109.644 -179.365 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.03 -36.86 75.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.09 109.48 179.859 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.77 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -65.69 -39.66 91.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.75 109.43 -179.84 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -61.59 -45.68 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 2.19 109.083 179.986 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.532 -0.73 . . . . 1.34 109.638 179.581 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.85 66.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.72 109.4 -179.775 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.433 ' OE1' HD21 ' D' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 1.8 109.435 179.819 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.167 0.508 . . . . 1.67 109.682 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -97.77 155.14 17.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.61 109.724 179.791 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.0 m-85 -140.74 -171.77 3.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -0.824 . . . . 0.56 109.381 179.903 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 62.8 p -152.69 160.51 43.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.159 -0.963 . . . . 0.43 109.361 -179.821 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.4 tp -149.16 134.23 18.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.891 . . . . 0.35 109.491 -179.672 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 13.9 tt0 -85.86 128.19 34.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 1.37 109.317 179.936 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.81 111.64 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.48 109.625 -179.934 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 153.98 40.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 2.08 109.428 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.54 126.26 2.59 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.638 -1.385 . . . . 0.4 109.638 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.4 OUTLIER -72.67 -52.43 15.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.085 . . . . 2.64 109.792 -179.927 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.84 -47.82 81.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.22 109.69 -179.675 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.45 -40.65 91.94 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.349 -0.844 . . . . 2.74 109.613 -179.781 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -54.8 -55.81 26.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.37 -0.831 . . . . 0.43 109.875 -179.722 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.74 -37.1 49.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 1.69 110.074 -179.554 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.12 89.53 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.078 -1.013 . . . . 0.43 110.101 -179.399 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.24 -52.05 66.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.27 109.411 -179.807 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -51.22 -36.97 44.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 2.45 109.782 -179.839 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.74 -50.52 73.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 1.75 109.866 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' C' ' 344' ' ' LEU . 73.0 mt -60.92 -33.59 73.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.209 -0.932 . . . . 0.31 108.963 179.902 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.3 t-20 -58.97 -55.26 37.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.365 -0.834 . . . . 1.22 109.544 179.696 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.24 -27.85 69.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 1.73 109.995 -179.646 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.24 -55.96 26.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.921 . . . . 0.28 110.261 -179.478 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 44.7 mt -60.5 -42.08 95.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.31 109.701 -179.531 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.0 -36.81 75.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.254 -0.904 . . . . 1.91 109.553 179.848 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.767 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -65.71 -39.67 91.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.289 -0.882 . . . . 0.43 109.501 -179.883 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.58 -45.61 93.37 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.361 -0.837 . . . . 1.57 109.113 179.958 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -59.54 -34.01 72.11 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.459 -0.776 . . . . 1.44 109.596 179.58 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.82 66.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.392 -0.818 . . . . 0.64 109.405 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.76 ' OE1' HD21 ' C' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.21 109.456 179.778 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.427 -0.583 . . . . 1.7 109.427 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 16.6 m-85 -94.19 148.14 22.48 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.237 -0.914 . . . . 0.61 109.582 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.9 m-85 -139.95 136.9 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.359 -0.838 . . . . 0.58 109.14 179.296 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.41 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 21.4 p -93.2 169.36 10.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.831 . . . . 0.42 109.39 179.943 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' C' ' 342' ' ' ARG . 30.9 tp -149.6 132.89 16.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.14 -0.975 . . . . 0.36 109.925 -179.871 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -86.32 121.96 29.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.462 -0.773 . . . . 1.37 109.026 179.401 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.9 109.66 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.47 109.833 -179.68 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.03 146.13 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 2.1 109.524 179.75 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.09 133.13 8.02 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.538 -1.425 . . . . 0.42 109.538 179.806 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.9 ttp180 -79.6 -55.55 4.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -1.156 . . . . 2.68 109.561 -179.923 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.69 -44.45 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 2.22 109.453 179.953 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.19 -43.64 95.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.403 -0.811 . . . . 2.77 109.573 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' C' ' 329' ' ' THR . 31.0 t80 -55.42 -55.49 31.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.43 109.489 -179.864 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -51.69 -37.8 52.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 1.66 110.045 -179.645 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.29 -46.01 88.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.44 109.935 -179.442 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -55.54 30.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.29 109.189 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.503 ' HG3' HD11 ' C' ' 330' ' ' LEU . 0.1 OUTLIER -50.62 -36.47 35.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.411 -0.806 . . . . 2.44 109.492 179.815 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.4 ' HG3' ' NZ ' ' B' ' 351' ' ' LYS . 1.5 tt0 -60.56 -46.46 90.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -0.865 . . . . 1.74 109.777 -179.761 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' B' ' 344' ' ' LEU . 21.7 mt -61.51 -41.15 96.87 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.267 -0.896 . . . . 0.3 109.422 -179.938 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.44 -47.29 84.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.338 -0.851 . . . . 1.22 109.634 179.754 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.03 -37.21 86.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.72 109.979 -179.609 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -49.46 77.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.27 110.01 -179.545 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.42 HD13 ' NE ' ' C' ' 337' ' ' ARG . 72.6 mt -61.7 -44.96 95.93 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.29 109.789 -179.649 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.44 -35.1 73.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 1.91 109.573 -179.991 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.1 -48.14 74.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.428 -0.795 . . . . 0.41 109.39 -179.802 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 31.7 ttmt -61.18 -35.55 77.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.34 -0.85 . . . . 1.56 109.158 179.89 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -57.02 -39.3 74.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.495 -0.753 . . . . 1.43 109.387 179.846 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.24 76.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.66 109.327 -179.891 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.571 179.911 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.441 -0.577 . . . . 1.61 109.441 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 16.8 m-85 -94.24 148.1 22.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.57 109.557 179.991 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -139.9 136.94 34.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.161 -0.962 . . . . 0.53 109.192 179.224 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -93.21 169.38 10.44 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.329 -0.857 . . . . 0.38 109.427 179.952 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' D' ' 342' ' ' ARG . 30.9 tp -149.69 132.84 16.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.36 109.9 -179.851 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.23 121.85 29.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.39 -0.819 . . . . 1.36 109.022 179.456 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.9 109.7 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.091 -1.005 . . . . 0.49 109.905 -179.733 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.04 146.07 44.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 2.1 109.455 179.903 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.07 133.12 8.01 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.593 -1.403 . . . . 0.44 109.593 179.856 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttp180 -79.56 -55.66 4.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.178 -1.189 . . . . 2.72 109.583 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.54 -44.38 89.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.21 109.53 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.3 -43.77 95.99 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.428 -0.795 . . . . 2.79 109.496 -179.887 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 31.4 t80 -55.26 -55.6 29.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.45 109.531 -179.9 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -51.65 -37.99 52.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.344 -0.847 . . . . 1.68 109.915 -179.661 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.13 -46.11 88.81 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.275 -0.891 . . . . 0.43 110.08 -179.529 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.17 -55.69 29.33 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.219 -0.926 . . . . 0.28 109.182 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 330' ' ' LEU . 0.1 OUTLIER -50.52 -36.46 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 2.52 109.646 179.816 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.6 -46.43 90.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.75 109.677 -179.666 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' A' ' 344' ' ' LEU . 21.6 mt -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.31 109.312 -179.858 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.48 -47.27 84.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.295 -0.878 . . . . 1.21 109.637 179.869 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.05 -37.14 85.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.275 -0.89 . . . . 1.69 110.003 -179.655 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.95 -49.41 77.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.178 -0.951 . . . . 0.27 110.082 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 73.1 mt -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.3 109.753 -179.697 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.48 -34.99 73.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.93 109.628 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.09 -48.04 75.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.846 . . . . 0.4 109.414 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.4 ' NZ ' ' HG3' ' A' ' 343' ' ' GLU . 31.7 ttmt -61.3 -35.61 77.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.347 -0.846 . . . . 1.59 109.043 179.865 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.29 74.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.459 -0.776 . . . . 1.43 109.521 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.25 76.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.65 109.442 179.929 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.404 ' OE1' HD11 ' A' ' 350' ' ' LEU . 34.1 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 1.19 109.569 179.868 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.444 -0.576 . . . . 2.11 109.444 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 16.7 m-85 -94.23 148.16 22.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.64 109.571 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.7 m-85 -140.0 136.71 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.976 . . . . 0.49 109.227 179.236 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.1 p -92.97 169.25 10.58 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.383 -0.823 . . . . 0.47 109.404 -179.988 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.503 HD11 ' HG3' ' A' ' 342' ' ' ARG . 30.7 tp -149.57 132.97 16.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.158 -0.964 . . . . 0.42 109.906 -179.918 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -86.34 121.85 29.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 1.81 108.965 179.563 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.91 109.77 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.42 109.818 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.02 146.1 44.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 2.35 109.49 179.825 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.02 133.05 7.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.0 ttp180 -79.67 -55.47 4.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -1.144 . . . . 2.59 109.531 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.62 -44.35 89.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 2.54 109.443 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.42 ' NE ' HD13 ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.47 -43.61 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 3.39 109.56 -179.867 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 329' ' ' THR . 31.1 t80 -55.32 -55.52 30.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.47 109.486 -179.893 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -51.64 -37.93 52.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.281 -0.887 . . . . 1.66 109.924 -179.708 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.26 -46.01 88.85 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.144 -0.972 . . . . 0.61 110.053 -179.477 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -55.77 28.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.33 109.143 179.985 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.458 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.48 -36.42 33.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 3.28 109.642 179.791 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.69 -46.37 90.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.99 . . . . 1.78 109.759 -179.736 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' D' ' 344' ' ' LEU . 21.4 mt -61.33 -41.42 97.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.857 . . . . 0.38 109.368 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.4 -47.23 84.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.35 -0.844 . . . . 1.2 109.658 179.93 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.97 -37.19 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.329 -0.857 . . . . 2.12 110.047 -179.755 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.0 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.305 -0.872 . . . . 0.26 110.051 -179.556 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.71 -45.02 95.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.4 109.745 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.49 -35.05 73.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 2.09 109.605 -179.952 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.97 -48.11 75.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.75 109.512 -179.952 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.7 ttmt -61.27 -35.57 77.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 2.19 109.069 179.885 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.03 -39.26 74.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.496 -0.753 . . . . 1.34 109.499 179.819 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.24 76.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.72 109.471 179.906 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 1.8 109.486 179.993 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.486 -0.561 . . . . 1.67 109.486 . . . . . . . . . 0 0 . 1 . 063 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 16.5 m-85 -94.17 148.14 22.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.887 . . . . 0.61 109.572 179.995 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.9 m-85 -139.96 136.84 34.21 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.193 -0.942 . . . . 0.56 109.25 179.182 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.3 p -92.96 169.47 10.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.481 -0.762 . . . . 0.43 109.445 179.97 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' B' ' 342' ' ' ARG . 31.3 tp -149.77 132.85 16.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.064 -1.023 . . . . 0.35 109.892 -179.92 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.33 121.89 29.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.882 . . . . 1.37 108.962 179.552 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.6 mt -123.99 109.78 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.48 109.814 -179.723 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.06 146.14 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 2.08 109.458 179.871 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.04 133.07 7.99 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.622 -1.391 . . . . 0.4 109.622 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.0 ttp180 -79.64 -55.56 4.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.324 -1.103 . . . . 2.64 109.552 -179.919 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.52 -44.55 89.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 2.22 109.449 179.896 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.405 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.3 ttm180 -60.18 -43.71 95.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.376 -0.828 . . . . 2.74 109.574 -179.906 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' B' ' 329' ' ' THR . 31.0 t80 -55.35 -55.51 30.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.344 -0.848 . . . . 0.43 109.48 -179.874 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -51.7 -37.82 52.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.424 -0.798 . . . . 1.69 110.008 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.26 -46.04 88.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.225 -0.922 . . . . 0.43 109.946 -179.407 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -55.57 30.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.27 109.111 -179.897 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' B' ' 330' ' ' LEU . 0.1 OUTLIER -50.57 -36.45 34.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.536 -0.728 . . . . 2.45 109.615 179.852 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.58 -46.32 90.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.114 -0.991 . . . . 1.75 109.806 -179.804 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' C' ' 344' ' ' LEU . 22.1 mt -61.66 -41.11 97.07 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 0.31 109.364 -179.921 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.55 -47.17 85.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 1.22 109.622 179.845 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.18 -37.0 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 1.73 110.035 -179.627 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -49.36 77.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.868 . . . . 0.28 110.033 -179.654 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.7 -45.05 95.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.31 109.827 -179.718 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.4 -35.09 73.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 1.91 109.616 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.657 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -64.99 -48.15 75.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.855 . . . . 0.43 109.423 -179.868 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.7 ttmt -61.31 -35.46 77.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.434 -0.791 . . . . 1.57 109.1 179.851 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.33 74.52 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.593 -0.692 . . . . 1.44 109.458 179.788 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.24 76.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.64 109.38 179.984 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.21 109.489 -179.99 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.076 0.465 . . . . 1.7 109.784 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -100.6 151.46 21.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 0.61 109.396 179.546 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.64 -169.09 2.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.239 -0.913 . . . . 0.58 109.697 -179.699 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 36.8 p -153.25 160.74 42.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.42 109.325 -179.841 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 130.56 14.9 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.36 109.604 -179.796 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.71 132.5 33.85 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -0.876 . . . . 1.37 109.47 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 341' ' ' PHE . 44.7 mt -123.89 116.63 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.162 -0.961 . . . . 0.47 109.44 179.779 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -73.06 150.41 42.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1 109.598 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.58 7.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.648 -1.381 . . . . 0.42 109.648 179.808 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.6 ttm180 -79.5 -51.67 9.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -1.097 . . . . 2.68 109.499 179.945 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.32 90.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 2.22 109.826 -179.887 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.95 97.64 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.336 -0.852 . . . . 2.77 109.623 -179.874 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.4 t80 -55.51 -51.77 65.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.355 -0.841 . . . . 0.43 109.527 179.917 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.68 -39.45 61.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 1.66 110.006 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.39 -47.15 85.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.255 -0.903 . . . . 0.44 110.275 -179.25 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.659 ' HD2' HG21 ' A' ' 332' ' ' ILE . 23.2 m-85 -60.62 -53.08 61.82 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.157 -0.964 . . . . 0.29 109.435 -179.759 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.68 -38.75 48.53 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.308 -0.87 . . . . 2.44 109.505 179.804 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -61.33 -45.14 95.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.74 109.885 -179.734 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' B' ' 344' ' ' LEU . 43.0 mt -61.92 -44.56 96.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.3 109.593 -179.642 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.1 -44.89 87.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.305 -0.872 . . . . 1.22 109.667 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -37.63 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.72 109.729 -179.813 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -48.9 79.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.27 109.887 -179.774 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' C' ' 337' ' ' ARG . 66.1 mt -61.42 -44.69 96.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.29 109.942 -179.618 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.0 -35.92 78.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 1.91 109.86 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 18.2 tp -64.78 -43.15 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -0.826 . . . . 0.41 109.487 -179.806 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -63.08 -49.39 74.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 1.56 109.192 179.799 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.72 -33.97 68.99 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.585 -0.697 . . . . 1.43 109.662 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.55 77.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.66 109.643 -179.682 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.18 109.62 -179.818 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.176 0.512 . . . . 1.61 109.72 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.63 151.54 21.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.13 -0.981 . . . . 0.57 109.363 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.6 -169.13 2.54 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.261 -0.899 . . . . 0.53 109.794 -179.668 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.3 p -153.29 160.55 42.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.38 109.321 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.87 130.66 15.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.965 . . . . 0.36 109.676 -179.88 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.49 33.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.907 . . . . 1.36 109.476 -179.982 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.642 HG21 ' HD2' ' B' ' 341' ' ' PHE . 44.7 mt -123.87 116.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.49 109.448 179.895 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -72.92 150.44 42.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 2.1 109.556 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.67 7.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.647 -1.381 . . . . 0.44 109.647 179.818 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.7 ttm180 -79.56 -51.7 8.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 2.72 109.437 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.42 90.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.383 -0.823 . . . . 2.21 109.76 -179.831 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.821 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.3 tpp180 -62.11 -44.15 97.29 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.314 -0.866 . . . . 2.79 109.6 -179.799 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.2 t80 -55.38 -51.76 65.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.363 -0.835 . . . . 0.45 109.554 179.915 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.76 -39.4 62.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.448 -0.783 . . . . 1.68 110.008 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.43 -47.09 85.6 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.159 -0.963 . . . . 0.43 110.301 -179.245 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.99 62.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.978 . . . . 0.28 109.404 -179.716 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.76 -38.76 49.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 2.52 109.418 179.89 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -61.4 -44.94 96.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 1.75 109.912 -179.709 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' A' ' 344' ' ' LEU . 42.9 mt -61.98 -44.58 96.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.31 109.571 -179.708 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.9 t30 -58.13 -44.98 88.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 1.21 109.619 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.83 -37.49 86.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.334 -0.854 . . . . 1.69 109.79 -179.857 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.13 -48.98 79.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.27 109.806 -179.784 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.772 HD22 ' NH1' ' D' ' 337' ' ' ARG . 67.4 mt -61.42 -44.74 96.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.3 109.879 -179.518 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.06 -35.9 78.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 1.93 109.778 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.476 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 18.2 tp -64.68 -43.03 94.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.4 109.588 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.23 -49.31 74.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.391 -0.818 . . . . 1.59 109.171 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.8 -33.91 69.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.485 -0.76 . . . . 1.43 109.66 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.52 77.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.65 109.669 -179.717 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.329 -0.857 . . . . 1.19 109.623 -179.843 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.02 0.438 . . . . 2.11 109.837 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -100.58 151.54 21.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.64 109.295 179.552 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -138.64 -169.13 2.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.49 109.732 -179.743 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 36.7 p -153.32 160.68 42.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.47 109.253 -179.866 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -148.92 130.62 15.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.194 -0.942 . . . . 0.42 109.54 -179.749 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.58 33.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.294 -0.879 . . . . 1.81 109.519 179.923 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.65 HG21 ' HD2' ' C' ' 341' ' ' PHE . 44.7 mt -123.87 116.59 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.123 -0.986 . . . . 0.42 109.386 179.929 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.05 150.4 42.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.35 109.541 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.56 7.06 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.753 -1.339 . . . . 0.41 109.753 179.875 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.7 ttm180 -79.51 -51.68 9.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -1.132 . . . . 2.59 109.437 -179.986 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.35 90.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 2.54 109.808 -179.896 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.223 -0.923 . . . . 3.39 109.594 -179.758 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.6 t80 -55.51 -51.73 66.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.402 -0.811 . . . . 0.47 109.49 179.943 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.77 -39.43 62.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.318 -0.864 . . . . 1.66 109.931 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.34 -47.14 85.53 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.312 -0.867 . . . . 0.61 110.353 -179.295 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.65 ' HD2' HG21 ' C' ' 332' ' ' ILE . 23.2 m-85 -60.64 -53.11 61.37 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.236 -0.915 . . . . 0.33 109.405 -179.762 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -50.78 -38.6 49.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 3.28 109.486 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -61.42 -45.03 96.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.233 -0.917 . . . . 1.78 109.92 -179.757 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' D' ' 344' ' ' LEU . 43.0 mt -61.83 -44.72 96.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.38 109.572 -179.666 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -57.96 -45.02 87.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 1.2 109.626 179.962 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.96 -37.5 87.36 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.864 . . . . 2.12 109.721 -179.687 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -49.0 79.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.905 . . . . 0.26 109.857 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' A' ' 337' ' ' ARG . 66.7 mt -61.42 -44.86 96.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.358 -0.839 . . . . 0.4 109.895 -179.572 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.92 -35.98 78.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 2.09 109.784 -179.809 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 18.2 tp -64.69 -43.2 94.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.75 109.468 -179.792 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.08 -49.34 74.91 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.411 -0.805 . . . . 2.19 109.177 179.877 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -34.01 69.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.529 -0.732 . . . . 1.34 109.668 179.822 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.65 77.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.883 . . . . 0.72 109.713 -179.772 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.193 -0.942 . . . . 1.8 109.542 -179.766 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.714 -0.476 . . . . 1.67 109.714 . . . . . . . . . 0 0 . 1 . 064 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -100.59 151.59 21.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.172 -0.955 . . . . 0.61 109.388 179.454 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.0 m-85 -138.66 -169.19 2.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.56 109.764 -179.684 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.2 p -153.29 160.51 42.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 0.43 109.389 -179.897 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -148.83 130.63 15.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.35 109.552 -179.765 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -86.83 132.42 33.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 1.37 109.444 -179.97 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.648 HG21 ' HD2' ' D' ' 341' ' ' PHE . 44.0 mt -123.76 116.59 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.173 -0.955 . . . . 0.48 109.487 179.817 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.21 150.41 42.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.892 . . . . 2.08 109.537 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.85 138.54 7.11 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.709 -1.356 . . . . 0.4 109.709 179.932 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.6 ttm180 -79.52 -51.65 9.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.238 -1.154 . . . . 2.64 109.49 179.959 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -42.27 90.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.356 -0.84 . . . . 2.22 109.849 -179.861 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.772 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.4 tpp180 -62.2 -43.98 97.6 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.271 -0.893 . . . . 2.74 109.653 -179.921 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.4 t80 -55.48 -51.77 65.86 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.399 -0.813 . . . . 0.43 109.562 179.899 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.62 -39.46 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.69 110.088 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -62.47 -47.11 85.46 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.233 -0.917 . . . . 0.43 110.216 -179.215 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.648 ' HD2' HG21 ' D' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.94 62.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.176 -0.952 . . . . 0.27 109.415 -179.689 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.86 -38.67 50.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.296 -0.877 . . . . 2.45 109.543 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -61.25 -45.13 95.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.28 -0.887 . . . . 1.75 109.909 -179.84 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' C' ' 344' ' ' LEU . 43.1 mt -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.31 109.617 -179.679 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.14 -44.97 88.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.22 109.607 -179.994 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.87 -37.53 87.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.242 -0.911 . . . . 1.73 109.761 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.09 -48.96 79.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 0.28 109.813 -179.741 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.821 HD22 ' NH1' ' B' ' 337' ' ' ARG . 67.2 mt -61.47 -44.86 96.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.868 . . . . 0.31 109.858 -179.513 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.84 -35.92 77.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.051 -1.031 . . . . 1.91 109.836 -179.845 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 18.4 tp -64.67 -43.18 94.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.43 109.577 -179.867 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.4 ttmt -63.16 -49.4 74.46 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 1.57 109.152 179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.69 -33.98 68.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.498 -0.751 . . . . 1.44 109.639 179.865 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.49 77.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 0.64 109.717 -179.725 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.91 . . . . 1.21 109.653 -179.849 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.412 -0.588 . . . . 1.7 109.412 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.1 m-85 -94.45 158.8 15.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.61 109.704 -179.897 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 95.3 m-85 -138.48 -168.49 2.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.58 109.638 179.973 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.565 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.4 p -154.51 152.53 30.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.42 109.474 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -148.03 133.03 18.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.36 109.578 -179.79 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -87.53 132.36 34.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.834 . . . . 1.37 109.741 -179.864 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.0 mt -123.98 115.38 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.47 109.349 179.65 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.3 148.78 41.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 2.1 109.557 179.933 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.48 133.93 8.21 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.752 -1.339 . . . . 0.42 109.752 179.73 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttt180 -70.5 -61.65 1.69 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -1.161 . . . . 2.68 109.465 179.839 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.72 -38.69 78.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.892 . . . . 2.22 109.55 -179.993 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.81 -48.64 77.51 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.318 -0.864 . . . . 2.77 109.93 -179.791 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.7 t80 -55.51 -57.86 10.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.893 . . . . 0.43 109.611 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -50.91 -35.43 33.0 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.22 -0.925 . . . . 1.66 109.956 -179.731 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.22 -51.32 66.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.066 -1.021 . . . . 0.44 110.437 -179.204 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.6 m-85 -61.46 -51.63 67.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.063 -1.023 . . . . 0.29 109.459 -179.767 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -50.99 -35.81 35.87 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.373 -0.829 . . . . 2.44 109.737 179.955 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.33 -50.51 73.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 1.74 109.688 -179.733 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 344' ' ' LEU . 95.2 mt -61.41 -34.2 74.98 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.213 -0.929 . . . . 0.3 109.0 179.927 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.502 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.7 -53.96 51.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 1.22 109.721 179.751 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.72 109.884 -179.488 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.36 -52.02 67.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.27 109.899 -179.521 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 41.2 mt -61.17 -43.23 99.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.326 -0.859 . . . . 0.29 109.713 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.14 -33.36 72.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 1.91 109.78 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.7 -47.69 77.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.41 109.514 -179.683 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.06 -46.63 89.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 1.56 109.011 179.78 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.06 63.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.642 -0.661 . . . . 1.43 109.48 179.496 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.8 81.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.66 109.74 -179.785 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' B' ' 350' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 1.18 109.589 -179.86 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.448 -0.575 . . . . 1.61 109.448 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.46 158.73 15.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.57 109.734 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 95.1 m-85 -138.32 -168.48 2.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.53 109.587 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.579 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.38 109.467 -179.978 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.2 tp -148.0 133.02 18.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 0.36 109.505 -179.807 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 2.0 tt0 -87.47 132.35 34.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 1.36 109.739 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.5 mt -123.95 115.42 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.288 -0.883 . . . . 0.49 109.38 179.613 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.27 148.64 41.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.563 179.961 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.56 133.98 8.24 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.731 -1.348 . . . . 0.44 109.731 179.663 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttt180 -70.62 -61.62 1.7 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -1.12 . . . . 2.72 109.391 179.936 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.77 -38.62 78.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.456 -0.778 . . . . 2.21 109.564 -179.945 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.95 -48.52 78.12 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.32 -0.862 . . . . 2.79 109.912 -179.77 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.57 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.32 -57.93 9.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.373 -0.83 . . . . 0.45 109.727 -179.842 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.04 -35.24 33.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 1.68 109.891 -179.615 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.36 -51.21 66.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.26 -0.9 . . . . 0.43 110.39 -179.154 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.68 ' HB2' HD13 ' B' ' 332' ' ' ILE . 33.0 m-85 -61.65 -51.54 68.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.146 -0.971 . . . . 0.28 109.4 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.85 -36.04 35.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.359 -0.838 . . . . 2.52 109.693 179.845 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.21 -50.42 73.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.129 -0.982 . . . . 1.75 109.782 -179.682 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 344' ' ' LEU . 95.2 mt -61.41 -34.26 75.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -0.917 . . . . 0.31 108.99 179.876 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.68 -53.91 52.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.21 109.825 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.26 -33.99 76.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.69 109.994 -179.617 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -52.11 66.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 0.27 109.874 -179.551 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.535 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 41.0 mt -61.16 -43.24 99.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.3 109.616 -179.668 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.25 -33.21 71.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 1.93 109.801 -179.97 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.82 -47.59 77.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.4 109.494 -179.648 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 23.4 ttmm -61.16 -46.52 90.17 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.774 . . . . 1.59 109.012 179.766 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.16 63.64 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.629 -0.669 . . . . 1.43 109.357 179.51 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.8 81.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.65 109.693 -179.656 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 1.19 109.687 -179.92 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.469 -0.567 . . . . 2.11 109.469 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.4 158.92 15.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.897 . . . . 0.64 109.693 -179.908 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 95.2 m-85 -138.59 -168.49 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.337 -0.852 . . . . 0.49 109.586 179.982 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.4 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.47 109.469 -179.879 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.2 tp -148.01 133.07 18.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.102 -0.999 . . . . 0.42 109.508 -179.815 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -87.5 132.36 34.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.171 -0.956 . . . . 1.81 109.824 -179.948 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.3 mt -123.99 115.33 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 0.42 109.392 179.683 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.23 148.82 41.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 2.35 109.554 179.994 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.51 133.94 8.21 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.64 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttt180 -70.52 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -1.077 . . . . 2.59 109.469 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.85 -38.48 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 2.54 109.542 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.54 78.18 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.345 -0.847 . . . . 3.39 109.982 -179.847 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.0 t80 -55.46 -57.82 10.32 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.358 -0.838 . . . . 0.47 109.716 -179.81 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.1 -35.14 33.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 1.66 109.903 -179.694 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.44 -51.23 66.58 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.171 -0.956 . . . . 0.61 110.319 -179.178 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.662 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.1 m-85 -61.74 -51.39 68.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.085 -1.009 . . . . 0.33 109.459 -179.628 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.03 -35.9 36.73 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.419 -0.801 . . . . 3.28 109.723 179.811 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.14 -50.57 73.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.114 -0.991 . . . . 1.78 109.738 -179.776 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.39 -34.33 75.17 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.91 . . . . 0.38 108.989 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.58 -53.97 51.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 1.2 109.83 179.738 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.25 -33.95 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.89 . . . . 2.12 109.985 -179.578 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.26 -52.12 66.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.945 . . . . 0.26 109.955 -179.647 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.571 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 40.8 mt -61.2 -43.23 99.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.4 109.612 -179.677 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.17 -33.27 71.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 2.09 109.82 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.75 -47.58 77.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.75 109.537 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.23 -46.54 89.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.338 -0.851 . . . . 2.19 108.936 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -30.02 63.59 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.54 -0.725 . . . . 1.34 109.486 179.461 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.76 81.72 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.329 -0.857 . . . . 0.72 109.651 -179.697 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.8 109.709 -179.93 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.502 -0.555 . . . . 1.67 109.502 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.3 m-85 -94.59 158.82 15.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.61 109.645 -179.848 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.1 m-85 -138.52 -168.51 2.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 0.56 109.59 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.57 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -154.48 152.54 30.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 0.43 109.446 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.2 tp -148.06 133.0 18.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.35 109.541 -179.811 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 2.1 tt0 -87.44 132.3 34.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 1.37 109.871 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.0 mt -123.93 115.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.48 109.378 179.581 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.42 148.7 40.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 2.08 109.521 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.6 133.8 8.17 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.722 -1.351 . . . . 0.4 109.722 179.628 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.6 ttt180 -70.35 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.144 . . . . 2.64 109.503 179.818 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.8 -38.54 78.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.443 -0.786 . . . . 2.22 109.579 -179.967 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -48.49 78.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.315 -0.866 . . . . 2.74 109.933 -179.787 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.7 t80 -55.5 -57.92 9.9 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.386 -0.821 . . . . 0.43 109.625 -179.797 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.01 -35.24 33.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.69 109.859 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.43 -51.25 66.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 0.43 110.275 -179.095 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.5 m-85 -61.56 -51.57 68.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.112 -0.992 . . . . 0.27 109.403 -179.642 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.0 -35.91 36.47 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.428 -0.795 . . . . 2.45 109.675 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.26 -50.42 73.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 1.75 109.734 -179.705 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 344' ' ' LEU . 95.3 mt -61.44 -34.24 75.07 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.25 -0.906 . . . . 0.31 108.988 179.923 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.472 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.76 -53.94 52.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.793 . . . . 1.22 109.751 179.776 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.18 -34.11 76.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 1.73 109.942 -179.594 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -52.21 66.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.28 109.927 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.504 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 41.1 mt -61.17 -43.35 99.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.289 -0.882 . . . . 0.31 109.612 -179.61 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.2 -33.19 71.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.28 -0.887 . . . . 1.91 109.816 179.996 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.72 -47.69 77.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.302 -0.874 . . . . 0.43 109.492 -179.74 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.17 -46.57 89.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.873 . . . . 1.57 108.944 179.828 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -30.08 63.52 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.682 -0.636 . . . . 1.44 109.466 179.54 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.83 82.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 0.64 109.729 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.124 -0.985 . . . . 1.21 109.716 -179.957 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.31 0.576 . . . . 1.7 109.649 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -94.85 155.98 16.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.237 -0.914 . . . . 0.61 109.068 179.387 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -138.54 -168.82 2.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 0.58 109.791 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.6 p -155.12 158.22 38.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.403 -0.811 . . . . 0.42 109.358 -179.903 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.9 tp -147.95 128.83 14.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.36 109.427 -179.96 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -86.84 129.43 34.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 1.37 109.61 -179.827 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 341' ' ' PHE . 43.0 mt -123.91 119.07 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.927 . . . . 0.47 109.468 179.672 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.4 149.75 42.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 2.1 109.51 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.59 5.98 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.716 -1.354 . . . . 0.42 109.716 179.889 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 tpt180 -80.16 -51.66 8.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -1.152 . . . . 2.68 109.572 179.937 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.251 -0.906 . . . . 2.22 109.697 -179.698 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.663 HH12 HD22 ' C' ' 348' ' ' LEU . 9.0 tpp180 -63.32 -44.76 94.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.263 -0.898 . . . . 2.77 109.589 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.9 t80 -53.59 -49.98 66.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.358 -0.839 . . . . 0.43 109.455 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 20.6 mt-10 -52.57 -39.86 61.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.827 . . . . 1.66 109.833 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.21 -45.48 93.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.296 -0.877 . . . . 0.44 110.176 -179.257 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 332' ' ' ILE . 29.0 m-85 -61.44 -53.38 57.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.161 -0.962 . . . . 0.29 109.282 -179.837 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.67 -39.04 49.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.44 109.82 179.924 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.85 -44.88 96.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.158 -0.964 . . . . 1.74 109.873 -179.682 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 344' ' ' LEU . 92.8 mt -62.01 -44.83 95.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.3 109.571 -179.738 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.413 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.08 -43.73 87.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 1.22 109.723 179.996 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -38.9 93.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.897 . . . . 1.72 109.94 -179.697 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.51 -49.54 77.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.27 109.976 -179.684 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.707 HD22 HH12 ' C' ' 337' ' ' ARG . 43.8 mt -61.52 -43.74 98.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.29 109.663 -179.758 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 -36.27 76.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.91 109.675 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.57 -45.7 85.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.41 109.7 -179.909 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.36 -41.51 97.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.263 -0.898 . . . . 1.56 109.076 -179.941 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.2 -32.42 66.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.566 -0.709 . . . . 1.43 109.697 179.682 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.8 88.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.9 . . . . 0.66 109.813 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.18 109.629 -179.786 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.278 0.561 . . . . 1.61 109.614 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.42 ' HB3' ' OE1' ' D' ' 331' ' ' GLN . 44.9 m-85 -94.82 155.91 16.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.57 109.089 179.42 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.8 m-85 -138.49 -168.89 2.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.159 -0.963 . . . . 0.53 109.752 -179.824 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 16.3 p -154.93 158.28 39.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.297 -0.877 . . . . 0.38 109.317 -179.869 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.8 tp -147.9 128.8 14.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.16 -0.963 . . . . 0.36 109.482 179.985 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.4 34.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 1.36 109.694 -179.907 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' B' ' 341' ' ' PHE . 43.3 mt -123.95 119.11 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.49 109.4 179.749 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.45 149.79 42.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.193 -0.942 . . . . 2.1 109.463 -179.973 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.7 6.02 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.701 -1.36 . . . . 0.44 109.701 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 tpt180 -80.33 -51.53 8.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -1.164 . . . . 2.72 109.575 179.962 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.21 109.71 -179.773 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.711 HH12 HD22 ' D' ' 348' ' ' LEU . 9.0 tpp180 -63.31 -44.77 94.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.303 -0.873 . . . . 2.79 109.594 179.956 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 59.2 t80 -53.71 -49.95 66.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.838 . . . . 0.45 109.415 -179.905 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 339' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 20.6 mt-10 -52.61 -39.73 61.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 1.68 109.858 -179.979 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.28 -45.45 93.21 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.246 -0.909 . . . . 0.43 110.195 -179.341 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.53 ' CG ' HD13 ' B' ' 332' ' ' ILE . 28.9 m-85 -61.45 -53.3 58.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.179 -0.951 . . . . 0.28 109.383 -179.896 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.76 -38.98 51.05 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.315 -0.865 . . . . 2.52 109.734 179.932 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.92 -44.89 96.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.119 -0.988 . . . . 1.75 109.817 -179.624 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 344' ' ' LEU . 92.9 mt -61.97 -44.85 95.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.31 109.645 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.427 ' HB2' HD21 ' D' ' 330' ' ' LEU . 38.6 t30 -58.19 -43.5 87.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.21 109.735 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.27 -38.95 93.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.401 -0.812 . . . . 1.69 109.848 -179.718 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -0.873 . . . . 0.27 109.948 -179.677 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.651 HD22 HH12 ' D' ' 337' ' ' ARG . 44.9 mt -61.51 -43.82 98.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.326 -0.859 . . . . 0.3 109.56 -179.689 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -59.82 -36.27 76.45 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.291 -0.881 . . . . 1.93 109.728 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 8.7 tp -64.64 -45.75 85.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.4 109.625 -179.912 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -41.61 97.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.887 . . . . 1.59 109.083 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.25 -32.34 66.46 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 1.43 109.639 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.72 88.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.65 109.724 -179.621 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.191 -0.943 . . . . 1.19 109.643 -179.893 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.361 0.601 . . . . 2.11 109.705 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.9 155.9 16.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.64 109.061 179.436 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.0 m-85 -138.46 -168.85 2.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.95 . . . . 0.49 109.794 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.5 p -155.08 158.15 38.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.47 109.367 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.9 tp -147.8 128.87 14.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.239 -0.913 . . . . 0.42 109.493 -179.975 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -86.85 129.37 34.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 1.81 109.662 -179.859 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.535 HD13 ' CG ' ' C' ' 341' ' ' PHE . 43.5 mt -123.95 119.19 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 0.42 109.344 179.72 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.48 149.72 42.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 2.35 109.55 179.995 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.12 135.64 6.05 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.692 -1.363 . . . . 0.41 109.692 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 tpt180 -80.26 -51.64 8.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 2.59 109.531 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.5 -44.7 85.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 2.54 109.638 -179.705 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.707 HH12 HD22 ' A' ' 348' ' ' LEU . 9.0 tpp180 -63.14 -44.84 94.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.349 -0.844 . . . . 3.39 109.683 179.941 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -53.67 -49.9 66.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.47 109.404 -179.936 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 20.7 mt-10 -52.6 -39.85 62.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 1.66 109.897 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.17 -45.47 93.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.289 -0.882 . . . . 0.61 110.245 -179.294 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.535 ' CG ' HD13 ' C' ' 332' ' ' ILE . 29.1 m-85 -61.35 -53.43 56.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.155 -0.966 . . . . 0.33 109.272 -179.89 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.78 -38.94 51.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 3.28 109.767 -179.952 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.85 -44.9 96.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 1.78 109.879 -179.687 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.04 -44.84 95.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.38 109.541 -179.717 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.4 t30 -58.09 -43.68 87.2 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.255 -0.903 . . . . 1.2 109.697 -179.983 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.15 -39.02 93.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.28 -0.887 . . . . 2.12 109.901 -179.665 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.35 -49.64 76.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.26 109.973 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.663 HD22 HH12 ' A' ' 337' ' ' ARG . 44.4 mt -61.52 -43.85 98.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.872 . . . . 0.4 109.567 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.73 -36.32 76.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 2.09 109.698 -179.941 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -64.74 -45.61 85.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.75 109.645 -179.785 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 351' ' ' LYS . 0.6 OUTLIER -61.25 -41.6 97.17 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.35 -0.844 . . . . 2.19 109.122 179.932 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.21 -32.35 66.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.611 -0.681 . . . . 1.34 109.665 179.703 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.8 88.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.72 109.786 -179.678 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.8 109.629 -179.849 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.273 0.559 . . . . 1.67 109.702 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -94.89 155.97 16.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 0.61 109.104 179.48 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.3 m-85 -138.49 -168.95 2.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.56 109.802 -179.718 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 16.4 p -154.97 158.33 39.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 0.43 109.336 179.987 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.9 tp -147.89 128.77 14.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.35 109.438 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.42 34.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 1.37 109.601 -179.885 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.533 HD13 ' CG ' ' D' ' 341' ' ' PHE . 43.7 mt -123.97 119.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.897 . . . . 0.48 109.32 179.694 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.56 149.75 41.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 2.08 109.52 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.09 135.63 6.03 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.688 -1.365 . . . . 0.4 109.688 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 tpt180 -80.27 -51.62 8.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -1.17 . . . . 2.64 109.511 179.953 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.51 -44.59 85.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.22 109.669 -179.676 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.651 HH12 HD22 ' B' ' 348' ' ' LEU . 9.0 tpp180 -63.36 -44.77 93.86 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.282 -0.886 . . . . 2.74 109.597 179.979 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' B' ' 329' ' ' THR . 59.2 t80 -53.64 -49.93 66.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.381 -0.824 . . . . 0.43 109.411 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 20.7 mt-10 -52.73 -39.74 62.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.269 -0.894 . . . . 1.69 109.854 -179.877 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.15 -45.46 93.33 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.204 -0.935 . . . . 0.43 110.242 -179.395 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.552 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 28.7 m-85 -61.51 -53.23 59.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.27 109.317 -179.881 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.85 -38.96 52.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.476 -0.765 . . . . 2.45 109.725 179.985 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.89 -44.79 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.18 -0.95 . . . . 1.75 109.956 -179.686 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.05 -44.85 95.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.171 -0.956 . . . . 0.31 109.527 -179.808 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' B' ' 330' ' ' LEU . 38.7 t30 -58.25 -43.58 87.9 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.276 -0.89 . . . . 1.22 109.649 -179.862 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -39.01 93.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 1.73 109.91 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.47 -49.62 76.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.28 109.899 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.711 HD22 HH12 ' B' ' 337' ' ' ARG . 43.9 mt -61.45 -43.74 98.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.31 109.612 -179.706 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.95 -36.24 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 1.91 109.582 -179.856 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.63 -45.67 85.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.43 109.722 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 1.57 109.096 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.21 -32.39 66.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.478 -0.764 . . . . 1.44 109.632 179.71 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.865 . . . . 0.64 109.845 -179.685 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 1.21 109.608 -179.845 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.232 0.539 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -93.79 156.61 16.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 0.61 109.379 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -139.47 -172.79 3.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.58 109.463 179.802 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 2.4 p -153.22 160.99 42.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.21 -0.931 . . . . 0.42 109.476 -179.84 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.9 tp -147.75 126.82 12.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 0.36 109.507 -179.826 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.8 126.84 34.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.37 109.427 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 341' ' ' PHE . 42.8 mt -123.82 117.84 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 0.47 109.663 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.43 151.08 39.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 2.1 109.513 179.858 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.32 133.23 7.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.833 -1.307 . . . . 0.42 109.833 179.764 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.5 ttp180 -75.89 -60.09 2.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.08 . . . . 2.68 109.491 179.858 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 24.2 pt-20 -59.01 -40.81 86.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 2.22 109.671 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.23 -47.95 83.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.291 -0.881 . . . . 2.77 109.543 -179.916 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' C' ' 329' ' ' THR . 48.8 t80 -55.49 -47.82 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.413 -0.804 . . . . 0.43 109.595 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.39 -37.01 46.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.332 -0.855 . . . . 1.66 109.976 -179.761 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -62.62 -46.99 85.69 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 0.44 109.907 -179.4 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 27.1 m-85 -61.22 -51.91 67.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.29 109.328 -179.974 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.53 -38.69 46.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.541 -0.725 . . . . 2.44 109.774 179.933 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.61 -49.85 75.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.034 -1.041 . . . . 1.74 109.736 -179.754 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.54 -33.52 73.97 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.169 -0.957 . . . . 0.3 108.948 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.825 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.6 t-20 -59.34 -53.63 56.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 1.22 109.632 179.815 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.428 ' HB3' ' HE3' ' B' ' 351' ' ' LYS . 0.9 OUTLIER -62.59 -34.29 76.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.432 -0.793 . . . . 1.72 109.892 -179.565 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -48.82 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 0.27 110.075 -179.625 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 51.0 mt -61.61 -43.06 99.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -0.914 . . . . 0.29 109.793 -179.536 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -59.86 -37.73 80.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.91 109.827 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.458 HD21 ' NE2' ' B' ' 354' ' ' GLN . 9.1 tp -64.08 -44.93 90.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.41 109.775 -179.729 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -61.98 -40.31 95.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.371 -0.831 . . . . 1.56 109.182 -179.959 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.43 -33.18 65.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.587 -0.696 . . . . 1.43 109.633 179.885 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.73 64.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.66 109.544 -179.956 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' B' ' 350' ' ' LEU . 24.5 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 1.18 109.635 179.983 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.272 0.558 . . . . 1.61 109.618 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.66 156.72 16.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.293 -0.879 . . . . 0.57 109.404 179.922 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.4 m-85 -139.66 -172.83 3.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.53 109.359 179.928 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 2.4 p -153.24 160.98 42.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.38 109.502 -179.739 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.8 tp -147.82 126.83 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 0.36 109.503 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 26.4 tt0 -86.81 126.91 34.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.312 -0.867 . . . . 1.36 109.405 179.952 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.532 HD13 ' CG ' ' B' ' 341' ' ' PHE . 42.6 mt -123.83 117.8 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.165 -0.959 . . . . 0.49 109.626 -179.984 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -74.42 151.12 39.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 2.1 109.457 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.28 133.14 7.19 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.774 -1.33 . . . . 0.44 109.774 179.666 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 38.6 ttp180 -75.86 -60.08 2.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -1.15 . . . . 2.72 109.501 179.899 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 24.1 pt-20 -58.98 -40.75 85.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.357 -0.84 . . . . 2.21 109.614 179.968 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -47.95 83.85 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.364 -0.835 . . . . 2.79 109.53 -179.86 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.1 t80 -55.36 -47.89 75.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.421 -0.799 . . . . 0.45 109.662 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.35 -37.03 45.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.36 -0.837 . . . . 1.68 110.008 -179.772 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.63 -46.91 86.06 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.177 -0.952 . . . . 0.43 109.934 -179.392 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.91 66.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.28 109.326 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.59 -38.64 46.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -0.809 . . . . 2.52 109.786 179.967 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.65 -49.79 76.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 1.75 109.806 -179.844 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.51 -33.55 74.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.19 -0.943 . . . . 0.31 108.979 179.762 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.784 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.5 t-20 -59.39 -53.58 56.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.579 -0.7 . . . . 1.21 109.627 179.782 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -34.23 76.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 1.69 109.878 -179.54 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -48.88 79.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.188 -0.945 . . . . 0.27 110.052 -179.639 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 50.6 mt -61.51 -43.23 99.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 0.3 109.746 -179.534 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.81 -37.78 80.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 1.93 109.828 -179.836 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 354' ' ' GLN . 9.0 tp -64.05 -44.97 90.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 0.4 109.809 -179.787 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 346' ' ' GLU . 13.6 ttmm -61.89 -40.39 95.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.59 109.181 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.38 -33.2 65.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.399 -0.813 . . . . 1.43 109.575 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.78 64.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.65 109.437 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD21 ' A' ' 350' ' ' LEU . 24.3 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.318 -0.864 . . . . 1.19 109.675 -179.909 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.238 0.542 . . . . 2.11 109.552 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.8 156.7 16.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.64 109.366 179.903 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.1 m-85 -139.58 -172.85 3.46 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.179 -0.951 . . . . 0.49 109.415 179.938 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 2.4 p -153.29 160.92 42.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 0.47 109.481 -179.832 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.8 tp -147.71 126.81 12.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.42 109.514 -179.847 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.7 126.73 34.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.856 . . . . 1.81 109.503 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.531 HD13 ' CG ' ' C' ' 341' ' ' PHE . 42.1 mt -123.71 117.92 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.42 109.693 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.48 151.08 39.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.374 -0.828 . . . . 2.35 109.531 179.856 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.38 133.24 7.26 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.825 -1.31 . . . . 0.41 109.825 179.723 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.5 ttp180 -75.94 -60.03 2.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -1.103 . . . . 2.59 109.511 179.856 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 336' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 24.1 pt-20 -59.09 -40.68 86.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 2.54 109.655 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.35 -47.94 83.91 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.247 -0.908 . . . . 3.39 109.465 -179.89 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.0 t80 -55.46 -47.83 75.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.47 109.601 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.39 -37.04 46.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.85 . . . . 1.66 109.996 -179.762 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.67 -46.78 86.58 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.17 -0.956 . . . . 0.61 110.014 -179.38 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 27.4 m-85 -61.35 -51.8 67.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.205 -0.934 . . . . 0.33 109.378 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.63 -38.54 46.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.437 -0.789 . . . . 3.28 109.742 179.951 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.8 -49.83 76.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 1.78 109.677 -179.728 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.49 -33.57 74.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.977 . . . . 0.38 108.93 179.827 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.792 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.6 t-20 -59.21 -53.7 55.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.404 -0.81 . . . . 1.2 109.738 179.678 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -34.24 76.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.465 -0.772 . . . . 2.12 109.873 -179.539 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.94 -48.89 79.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.26 110.063 -179.612 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 51.3 mt -61.48 -43.25 99.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.903 . . . . 0.4 109.785 -179.594 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.82 -37.67 79.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 2.09 109.81 -179.814 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.461 HD11 ' NE2' ' D' ' 354' ' ' GLN . 9.0 tp -64.16 -44.98 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.75 109.725 -179.737 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 13.6 ttmm -61.8 -40.48 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.385 -0.822 . . . . 2.19 109.241 179.978 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.29 -33.25 65.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.393 -0.817 . . . . 1.34 109.68 179.809 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.72 109.477 -179.907 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.368 -0.832 . . . . 1.8 109.697 -179.972 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.281 0.562 . . . . 1.67 109.525 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -93.8 156.63 16.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.61 109.423 179.916 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.53 -172.8 3.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.897 . . . . 0.56 109.346 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 2.5 p -153.29 160.97 42.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.43 109.428 -179.75 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.9 tp -147.8 126.75 12.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 0.35 109.533 -179.871 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.78 126.85 34.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.37 109.395 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' D' ' 341' ' ' PHE . 42.9 mt -123.75 117.77 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.133 -0.979 . . . . 0.48 109.684 179.935 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.36 151.05 39.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.42 -0.8 . . . . 2.08 109.547 179.805 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.45 133.27 7.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.695 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.7 ttp180 -75.94 -60.11 2.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -1.15 . . . . 2.64 109.479 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 336' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 24.1 pt-20 -59.07 -40.73 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 2.22 109.602 -179.925 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.31 -48.04 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.283 -0.885 . . . . 2.74 109.456 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.31 -47.91 74.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -0.828 . . . . 0.43 109.634 179.97 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.34 -37.09 46.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.858 . . . . 1.69 110.04 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.49 -47.03 85.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.14 -0.975 . . . . 0.43 109.997 -179.467 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.9 67.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.27 109.333 -179.956 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.5 -38.63 45.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.523 -0.736 . . . . 2.45 109.757 179.94 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.77 -49.78 76.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.75 109.723 -179.692 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.39 -33.61 73.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.956 . . . . 0.31 108.976 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.804 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.6 t-20 -59.35 -53.6 56.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.391 -0.818 . . . . 1.22 109.712 179.793 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.443 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 0.9 OUTLIER -62.53 -34.39 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.835 . . . . 1.73 109.942 -179.612 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.88 -48.9 79.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.265 -0.897 . . . . 0.28 110.056 -179.593 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 50.5 mt -61.45 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.31 109.785 -179.604 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.82 -37.66 79.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 1.91 109.82 -179.85 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' C' ' 351' ' ' LYS . 9.1 tp -64.17 -44.98 90.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.43 109.76 -179.759 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -61.86 -40.42 95.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 1.57 109.214 179.987 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.26 -33.28 65.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.521 -0.737 . . . . 1.44 109.694 179.777 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.85 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.64 109.512 -179.952 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.461 ' NE2' HD11 ' C' ' 350' ' ' LEU . 25.3 mt-30 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.21 109.748 -179.949 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.389 0.614 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.02 152.91 19.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 0.61 109.488 -179.893 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.4 m-85 -137.69 -168.44 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.918 . . . . 0.58 109.493 -179.964 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.5 p -153.36 158.94 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.939 . . . . 0.42 109.464 -179.919 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' C' ' 345' ' ' ASN . 16.1 tp -148.06 131.43 16.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.36 109.389 -179.752 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 22.9 tt0 -86.26 131.24 34.27 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.178 -0.951 . . . . 1.37 109.504 -179.943 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.5 mt -123.76 118.76 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.129 -0.982 . . . . 0.47 109.342 179.728 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.94 147.94 44.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.92 . . . . 2.1 109.467 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.55 138.27 9.58 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.67 -1.372 . . . . 0.42 109.67 179.956 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.7 ttt180 -82.83 -59.22 2.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 2.68 109.61 179.907 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.4 82.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.282 -0.886 . . . . 2.22 109.481 179.894 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.9 tpp180 -62.31 -44.59 96.16 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.356 -0.84 . . . . 2.77 109.243 179.82 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.9 t80 -55.27 -48.69 73.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.327 -0.858 . . . . 0.43 109.502 -179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.55 -38.1 52.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.66 109.97 -179.593 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.64 87.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.209 -0.932 . . . . 0.44 110.063 -179.173 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 20.4 m-85 -60.86 -48.17 83.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 0.29 109.278 179.885 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.88 -43.38 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.434 -0.791 . . . . 2.44 109.662 179.879 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.28 -40.74 91.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.9 . . . . 1.74 110.044 -179.467 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 38.2 mt -62.99 -45.56 91.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.3 109.542 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' C' ' 330' ' ' LEU . 58.4 t30 -58.31 -46.38 86.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.276 -0.89 . . . . 1.22 109.838 -179.853 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -37.21 84.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.72 109.876 -179.673 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.29 -49.72 76.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.27 110.006 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.846 HD22 HH12 ' C' ' 337' ' ' ARG . 56.4 mt -61.08 -44.12 97.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.29 109.751 -179.571 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.02 -37.43 76.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 1.91 109.642 -179.971 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.569 HD11 ' OE1' ' B' ' 354' ' ' GLN . 11.7 tp -64.65 -40.44 95.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.315 -0.866 . . . . 0.41 109.651 -179.916 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -46.99 85.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.374 -0.829 . . . . 1.56 109.448 -179.897 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.45 -32.83 65.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.489 -0.757 . . . . 1.43 110.029 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.11 84.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.66 109.708 -179.526 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.575 ' OE1' HD11 ' B' ' 350' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 1.18 109.847 -179.809 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.488 -0.56 . . . . 1.61 109.488 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -93.1 153.02 18.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.57 109.506 -179.902 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -137.7 -168.38 2.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.53 109.484 -179.968 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.3 p -153.44 158.9 42.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.263 -0.898 . . . . 0.38 109.459 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' D' ' 345' ' ' ASN . 16.0 tp -147.97 131.54 16.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.36 109.351 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 22.9 tt0 -86.35 131.17 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.327 -0.858 . . . . 1.36 109.517 -179.989 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.8 mt -123.77 118.88 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.49 109.269 179.737 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.98 147.94 44.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.253 -0.904 . . . . 2.1 109.484 179.9 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.57 138.14 9.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.621 -1.392 . . . . 0.44 109.621 179.988 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.8 ttt180 -82.77 -59.18 2.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.188 -1.184 . . . . 2.72 109.525 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.27 -39.16 82.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.374 -0.829 . . . . 2.21 109.435 179.989 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.87 HH12 HD22 ' D' ' 348' ' ' LEU . 6.8 tpp180 -62.51 -44.49 96.24 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.376 -0.828 . . . . 2.79 109.19 179.835 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.7 t80 -55.29 -48.77 73.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 0.45 109.473 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.14 52.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.828 . . . . 1.68 110.045 -179.648 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.66 87.56 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.212 -0.93 . . . . 0.43 110.092 -179.207 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.2 m-85 -60.87 -48.17 83.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.28 109.245 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.86 -43.32 59.39 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.411 -0.806 . . . . 2.52 109.736 179.874 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.35 -40.83 92.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 1.75 109.964 -179.477 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 38.3 mt -62.93 -45.5 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.31 109.601 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.501 ' HB2' HD21 ' D' ' 330' ' ' LEU . 58.6 t30 -58.38 -46.53 86.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.274 -0.891 . . . . 1.21 109.729 -179.878 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.19 84.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 1.69 109.876 -179.624 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.27 110.002 -179.646 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.899 HD22 HH12 ' D' ' 337' ' ' ARG . 57.3 mt -61.05 -44.21 97.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.3 109.78 -179.608 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -59.03 -37.33 76.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.88 . . . . 1.93 109.609 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.575 HD11 ' OE1' ' A' ' 354' ' ' GLN . 11.7 tp -64.72 -40.45 95.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.233 -0.917 . . . . 0.4 109.577 -179.875 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.85 -46.93 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.414 -0.803 . . . . 1.59 109.439 -179.905 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.53 -32.78 65.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.488 -0.757 . . . . 1.43 110.045 -179.784 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.23 84.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 0.65 109.699 -179.629 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.569 ' OE1' HD11 ' A' ' 350' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.19 109.887 -179.778 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.426 -0.583 . . . . 2.11 109.426 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.16 152.92 18.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.64 109.45 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -137.73 -168.48 2.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.278 -0.889 . . . . 0.49 109.433 -179.923 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.457 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.5 p -153.28 158.98 42.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.47 109.427 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 345' ' ' ASN . 16.1 tp -148.04 131.34 16.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.42 109.359 -179.763 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 22.9 tt0 -86.24 131.19 34.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 1.81 109.537 179.976 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.508 HD12 ' CD1' ' C' ' 338' ' ' PHE . 35.2 mt -123.63 118.73 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.42 109.342 179.759 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.93 147.94 44.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.325 -0.86 . . . . 2.35 109.459 179.995 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.54 138.22 9.56 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.8 ttt180 -82.82 -59.16 2.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -1.133 . . . . 2.59 109.62 179.951 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.11 -39.51 82.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.372 -0.83 . . . . 2.54 109.407 179.925 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.846 HH12 HD22 ' A' ' 348' ' ' LEU . 6.9 tpp180 -62.2 -44.58 96.25 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.335 -0.853 . . . . 3.39 109.267 179.823 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.508 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.37 -48.63 73.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.311 -0.868 . . . . 0.47 109.517 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.61 -38.11 53.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.333 -0.854 . . . . 1.66 109.903 -179.59 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.4 -46.68 87.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.23 -0.919 . . . . 0.61 110.074 -179.183 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -60.81 -48.23 82.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.12 -0.988 . . . . 0.33 109.296 179.888 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.91 -43.19 59.87 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.49 -0.756 . . . . 3.28 109.757 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.47 -40.74 92.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 1.78 109.971 -179.527 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' D' ' 344' ' ' LEU . 38.0 mt -62.94 -45.57 91.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.039 -1.038 . . . . 0.38 109.576 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.508 ' HB2' HD21 ' A' ' 330' ' ' LEU . 58.5 t30 -58.25 -46.52 85.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.2 109.833 -179.92 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.01 -37.27 84.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.269 -0.895 . . . . 2.12 109.866 -179.641 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.7 76.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.871 . . . . 0.26 109.925 -179.564 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 56.5 mt -61.08 -44.17 97.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.4 109.689 -179.516 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -59.0 -37.45 76.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 2.09 109.636 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.435 HD21 ' OE1' ' D' ' 354' ' ' GLN . 11.7 tp -64.61 -40.53 95.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 0.75 109.59 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -46.85 86.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.19 109.485 -179.931 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.604 -0.685 . . . . 1.34 110.087 -179.785 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.07 83.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.895 . . . . 0.72 109.742 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.524 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 1.8 109.875 -179.884 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 1.67 109.472 . . . . . . . . . 0 0 . 1 . 068 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -93.05 152.92 19.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.87 . . . . 0.61 109.5 -179.96 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.7 m-85 -137.63 -168.37 2.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 0.56 109.458 -179.95 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -153.45 158.76 41.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.43 109.454 -179.851 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' B' ' 345' ' ' ASN . 16.1 tp -147.88 131.6 16.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.35 109.406 -179.775 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 22.9 tt0 -86.46 131.24 34.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 1.37 109.432 -179.974 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.2 mt -123.83 118.82 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -0.912 . . . . 0.48 109.256 179.77 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 147.84 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.907 . . . . 2.08 109.445 179.97 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.61 138.14 9.53 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.8 ttt180 -82.8 -59.19 2.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -1.148 . . . . 2.64 109.529 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.34 81.88 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.382 -0.824 . . . . 2.22 109.478 179.905 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.899 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -44.52 96.2 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.454 -0.778 . . . . 2.74 109.216 179.842 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.8 t80 -55.35 -48.74 73.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.43 109.456 -179.986 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.16 52.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 1.69 109.94 -179.594 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.56 -46.52 87.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.205 -0.934 . . . . 0.43 110.066 -179.159 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.0 m-85 -60.93 -48.18 83.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.135 -0.978 . . . . 0.27 109.21 179.85 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.9 -43.41 59.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.543 -0.723 . . . . 2.45 109.62 179.922 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.23 -40.85 91.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 1.75 109.97 -179.464 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' C' ' 344' ' ' LEU . 38.4 mt -62.95 -45.58 91.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.31 109.574 -179.755 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.522 ' HB2' HD21 ' B' ' 330' ' ' LEU . 58.7 t30 -58.26 -46.56 85.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 1.22 109.756 -179.849 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -37.2 83.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 1.73 109.861 -179.586 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.31 -49.77 76.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.28 109.925 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.87 HD22 HH12 ' B' ' 337' ' ' ARG . 57.3 mt -61.12 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.31 109.68 -179.533 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.11 -37.39 77.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.91 109.556 -179.879 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' C' ' 354' ' ' GLN . 11.8 tp -64.69 -40.44 95.39 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.287 -0.883 . . . . 0.43 109.62 -179.803 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -62.83 -46.84 86.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 1.57 109.44 -179.934 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.65 -32.8 65.72 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.56 -0.713 . . . . 1.44 109.934 -179.678 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.21 84.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.64 109.759 -179.608 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.435 ' OE1' HD21 ' C' ' 350' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.21 109.893 -179.852 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.277 0.56 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.05 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.914 . . . . 0.61 109.447 179.871 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.66 -171.44 3.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.58 109.474 -179.871 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.3 p -152.62 160.95 43.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.42 109.625 -179.799 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.52 128.57 13.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.36 109.618 -179.944 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 38.6 tt0 -86.92 126.57 34.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.37 109.473 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 49.3 mt -123.87 117.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.47 109.481 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.75 149.5 41.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 2.1 109.486 179.908 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.56 134.23 7.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.754 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.3 ttp180 -78.69 -57.35 3.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -1.134 . . . . 2.68 109.583 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -44.44 91.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 2.22 109.543 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.88 -46.14 91.8 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.358 -0.839 . . . . 2.77 109.639 -179.742 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.2 t80 -54.93 -54.92 36.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.43 109.692 -179.837 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -50.29 -36.38 31.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.89 . . . . 1.66 109.963 -179.628 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.72 -47.25 84.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.117 -0.989 . . . . 0.44 109.954 -179.452 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.69 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.9 m-85 -61.32 -53.03 61.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.91 . . . . 0.29 109.267 179.942 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.448 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.88 -36.33 37.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 2.44 109.56 179.954 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.97 -45.15 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 1.74 109.898 -179.837 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' B' ' 344' ' ' LEU . 26.8 mt -61.83 -43.68 98.37 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.299 -0.876 . . . . 0.3 109.569 -179.775 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 47.5 t30 -57.88 -44.43 86.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.879 . . . . 1.22 109.569 179.86 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.25 91.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.365 -0.835 . . . . 1.72 109.663 -179.825 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.04 -46.36 88.43 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.27 109.934 -179.69 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.714 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 19.5 mt -61.5 -45.15 95.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.29 109.777 -179.765 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.56 -36.76 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.91 109.737 -179.904 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 19.6 tp -63.69 -43.1 97.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.41 109.497 -179.91 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.8 -50.09 73.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 1.56 108.743 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.9 -28.36 64.14 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.647 -0.658 . . . . 1.43 109.483 179.533 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.66 85.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.458 -0.776 . . . . 0.66 109.789 -179.463 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.18 109.513 -179.999 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.304 0.573 . . . . 1.61 109.547 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.06 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.182 -0.949 . . . . 0.57 109.499 179.89 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 82.4 m-85 -139.67 -171.49 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.53 109.571 -179.894 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.0 p -152.58 161.04 43.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.137 -0.977 . . . . 0.38 109.564 -179.787 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.4 tp -148.63 128.55 13.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.36 109.468 -179.833 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 38.7 tt0 -86.93 126.52 34.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 1.36 109.521 179.954 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.89 117.58 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.49 109.465 179.888 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.72 149.45 41.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.194 -0.941 . . . . 2.1 109.575 179.889 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.33 7.74 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.831 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.3 ttp180 -78.76 -57.38 3.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -1.11 . . . . 2.72 109.634 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.76 -44.37 90.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.359 -0.838 . . . . 2.21 109.653 179.987 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.556 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.94 -46.11 92.0 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.295 -0.878 . . . . 2.79 109.647 -179.736 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.7 t80 -55.12 -54.81 38.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.46 -0.775 . . . . 0.45 109.646 -179.779 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -50.31 -36.35 31.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.386 -0.821 . . . . 1.68 109.922 -179.6 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.75 -47.31 84.11 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.17 -0.956 . . . . 0.43 109.883 -179.436 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.738 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.8 m-85 -61.32 -53.14 60.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.139 -0.976 . . . . 0.28 109.22 -179.993 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.462 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.67 -36.49 35.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.306 -0.871 . . . . 2.52 109.574 179.836 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.85 -45.25 95.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.771 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 344' ' ' LEU . 27.3 mt -61.81 -43.75 98.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.31 109.442 -179.718 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 47.4 t30 -57.8 -44.49 86.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.288 -0.882 . . . . 1.21 109.584 179.865 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -39.04 91.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.41 -0.806 . . . . 1.69 109.662 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.14 -46.33 88.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.27 109.959 -179.786 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 19.6 mt -61.53 -45.02 95.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.319 -0.863 . . . . 0.3 109.725 -179.732 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.79 -36.65 77.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 1.93 109.672 -179.809 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.504 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 19.8 tp -63.7 -43.19 97.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.4 109.468 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.7 -50.08 73.88 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.279 -0.888 . . . . 1.59 108.854 179.629 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.91 -28.37 64.18 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.594 -0.691 . . . . 1.43 109.384 179.52 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.65 85.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.65 109.832 -179.418 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 1.19 109.443 179.993 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.23 0.538 . . . . 2.11 109.61 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.14 159.19 15.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.884 . . . . 0.64 109.473 179.938 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 82.3 m-85 -139.64 -171.47 3.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.49 109.506 -179.877 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.1 p -152.64 160.96 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.181 -0.949 . . . . 0.47 109.566 -179.808 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -148.5 128.58 13.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.187 -0.946 . . . . 0.42 109.514 -179.827 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 38.7 tt0 -86.96 126.58 34.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.314 -0.866 . . . . 1.81 109.47 179.959 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' C' ' 341' ' ' PHE . 49.2 mt -123.89 117.56 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.42 109.558 179.784 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.67 149.46 41.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 2.35 109.524 179.913 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.27 7.72 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.813 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.3 ttp180 -78.71 -57.36 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.224 -1.162 . . . . 2.59 109.674 179.929 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.8 -44.43 90.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 2.54 109.55 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.96 -46.08 92.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.265 -0.897 . . . . 3.39 109.634 -179.65 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.06 -54.76 38.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.47 109.783 -179.905 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -50.34 -36.33 31.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 1.66 109.996 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.81 -47.2 84.46 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.139 -0.975 . . . . 0.61 109.942 -179.459 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.714 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.26 -53.17 60.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.33 109.232 179.916 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.459 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.76 -36.45 36.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.398 -0.814 . . . . 3.28 109.659 179.902 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.19 95.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.78 109.886 -179.801 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' D' ' 344' ' ' LEU . 27.1 mt -61.81 -43.69 98.35 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.38 109.525 -179.82 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 341' ' ' PHE . 47.6 t30 -57.98 -44.29 87.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 1.2 109.545 179.903 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -39.1 91.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.217 -0.927 . . . . 2.12 109.735 -179.915 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.09 -46.37 88.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.26 109.905 -179.748 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.69 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 19.6 mt -61.55 -44.99 96.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.189 -0.944 . . . . 0.4 109.754 -179.682 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.68 -36.73 77.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 2.09 109.753 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 19.5 tp -63.65 -43.34 97.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.947 . . . . 0.75 109.425 -179.914 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.64 -50.08 73.96 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.352 -0.842 . . . . 2.19 108.867 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.88 -28.28 64.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.502 0.667 . . . . 1.34 109.533 179.48 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.72 109.838 -179.515 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.067 -1.021 . . . . 1.8 109.462 179.951 . . . . . . . . 0 0 . 1 . 069 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.264 0.554 . . . . 1.67 109.522 . . . . . . . . . 0 0 . 1 . 069 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 7.3 m-85 -94.18 159.14 15.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 0.61 109.421 179.936 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 82.3 m-85 -139.69 -171.5 3.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.56 109.571 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.0 p -152.62 160.9 43.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 0.43 109.562 -179.744 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.3 tp -148.5 128.73 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.338 -0.851 . . . . 0.35 109.429 -179.841 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 38.8 tt0 -87.01 126.56 34.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.181 -0.949 . . . . 1.37 109.471 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.5 mt -123.93 117.46 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.125 -0.985 . . . . 0.48 109.476 179.902 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.61 149.43 42.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 2.08 109.512 179.912 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.47 134.19 7.67 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.72 -1.352 . . . . 0.4 109.72 179.75 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.3 ttp180 -78.6 -57.32 3.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -1.112 . . . . 2.64 109.65 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.82 -44.25 90.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 2.22 109.666 -179.926 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -61.07 -46.03 92.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 2.74 109.705 -179.799 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.1 t80 -55.06 -54.89 37.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.801 . . . . 0.43 109.669 -179.924 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -50.32 -36.28 31.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.69 109.965 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.78 -47.38 83.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.007 -1.058 . . . . 0.43 109.824 -179.451 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.736 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.9 m-85 -61.22 -53.19 59.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.27 109.202 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.459 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.73 -36.4 36.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 2.45 109.575 179.964 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.27 95.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 1.75 109.821 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' C' ' 344' ' ' LEU . 27.4 mt -61.84 -43.65 98.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.295 -0.878 . . . . 0.31 109.478 -179.711 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' B' ' 330' ' ' LEU . 47.5 t30 -57.93 -44.45 86.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 1.22 109.525 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -39.18 91.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 1.73 109.762 -179.884 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.11 -46.37 88.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.28 109.902 -179.715 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.738 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 19.6 mt -61.47 -45.08 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 0.31 109.768 -179.707 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.66 -36.72 76.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 1.91 109.749 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.447 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 19.6 tp -63.65 -43.24 97.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.43 109.448 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.74 -50.01 74.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.57 108.87 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.98 -28.19 64.16 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 1.44 109.55 179.457 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.7 85.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.64 109.86 -179.567 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.971 . . . . 1.21 109.46 179.999 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.132 -0.692 . . . . 1.7 109.132 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -95.97 149.03 22.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.123 -0.986 . . . . 0.61 109.994 -179.81 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.7 m-85 -137.8 -168.89 2.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.398 -0.814 . . . . 0.58 109.361 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 65.3 p -154.18 158.98 41.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.213 -0.929 . . . . 0.42 109.621 -179.937 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 9.6 tp -147.1 128.97 15.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.206 -0.934 . . . . 0.36 109.515 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 36.9 tt0 -87.38 129.77 34.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.283 -0.885 . . . . 1.37 109.634 -179.949 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 341' ' ' PHE . 46.0 mt -123.5 120.45 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.47 109.439 179.677 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.48 41.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.211 -0.93 . . . . 2.1 109.787 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.22 138.91 4.57 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.742 -1.343 . . . . 0.42 109.742 179.695 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.2 -45.64 19.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.297 -1.119 . . . . 2.68 109.495 179.925 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.77 -46.6 87.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 2.22 109.424 179.951 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.7 ' HD2' HD13 ' C' ' 348' ' ' LEU . 6.6 tpp180 -61.29 -44.71 96.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.343 -0.848 . . . . 2.77 109.786 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' C' ' 329' ' ' THR . 24.0 t80 -54.94 -56.27 21.51 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.525 -0.734 . . . . 0.43 109.833 -179.77 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.85 -37.89 60.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.279 -0.888 . . . . 1.66 109.978 -179.642 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.7 -46.69 86.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.202 -0.936 . . . . 0.44 110.115 -179.328 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.36 -51.44 68.79 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.29 109.401 -179.847 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 10.5 ttm180 -50.93 -37.74 46.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.391 -0.818 . . . . 2.44 109.688 179.978 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.44 -46.39 90.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 1.74 110.054 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 344' ' ' LEU . 75.1 mt -61.65 -43.13 99.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.197 -0.94 . . . . 0.3 109.651 -179.682 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.33 -46.54 86.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.296 -0.878 . . . . 1.22 109.7 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.67 -37.23 85.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.72 109.879 -179.683 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -48.1 83.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.27 110.058 -179.719 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.726 HD13 ' HD2' ' C' ' 337' ' ' ARG . 51.1 mt -61.56 -44.74 96.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 0.29 109.711 -179.675 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.31 -36.44 75.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 1.91 109.458 179.97 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' B' ' 354' ' ' GLN . 15.7 tp -64.29 -41.34 96.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 0.41 109.454 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.533 ' HA ' HD22 ' B' ' 350' ' ' LEU . 1.1 ttmp? -62.32 -49.48 75.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 1.56 109.054 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -56.93 -30.74 64.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.585 -0.697 . . . . 1.43 109.718 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.65 84.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.849 . . . . 0.66 109.961 -179.593 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.18 109.807 -179.728 . . . . . . . . 0 0 . 1 . 070 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.001 -0.741 . . . . 1.61 109.001 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -95.93 149.24 21.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -0.966 . . . . 0.57 109.901 -179.759 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.7 m-85 -138.05 -168.97 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.398 -0.814 . . . . 0.53 109.294 179.887 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 65.5 p -154.22 158.84 40.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.197 -0.939 . . . . 0.38 109.706 -179.789 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.6 tp -147.06 129.04 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.36 109.488 -179.879 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 37.0 tt0 -87.31 129.85 34.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.848 . . . . 1.36 109.68 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' B' ' 341' ' ' PHE . 46.4 mt -123.67 120.6 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.49 109.358 179.656 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.8 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 2.1 109.717 -179.908 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.89 139.0 4.42 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.832 -1.307 . . . . 0.44 109.832 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.486 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -79.29 -45.72 19.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -1.143 . . . . 2.72 109.369 179.923 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.7 -46.6 86.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.862 . . . . 2.21 109.498 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD2' HD13 ' D' ' 348' ' ' LEU . 6.6 tpp180 -61.21 -44.76 96.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.325 -0.86 . . . . 2.79 109.814 179.975 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 24.0 t80 -54.96 -56.2 22.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.475 -0.766 . . . . 0.45 109.843 -179.738 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.94 -37.74 61.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.461 -0.774 . . . . 1.68 110.025 -179.662 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.75 -46.57 87.45 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.43 110.228 -179.419 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' B' ' 332' ' ' ILE . 28.4 m-85 -61.45 -51.48 68.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.28 109.273 -179.834 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' D' ' 330' ' ' LEU . 10.5 ttm180 -51.02 -37.73 46.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 2.52 109.655 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.39 -46.32 90.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.75 110.112 -179.58 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 344' ' ' LEU . 74.9 mt -61.68 -43.14 99.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.31 109.663 -179.721 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.4 -46.44 86.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.21 109.688 -179.942 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.76 -37.18 85.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 1.69 109.892 -179.734 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.91 -48.1 83.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.27 109.98 -179.744 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' D' ' 337' ' ' ARG . 50.9 mt -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.3 109.799 -179.729 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.25 -36.46 75.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.386 -0.821 . . . . 1.93 109.531 179.886 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 351' ' ' LYS . 15.8 tp -64.2 -41.45 97.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.363 -0.836 . . . . 0.4 109.475 179.982 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 1.1 ttmp? -62.31 -49.47 75.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.879 . . . . 1.59 109.024 179.885 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -56.92 -30.74 64.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.485 -0.759 . . . . 1.43 109.644 179.776 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.86 84.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.65 109.973 -179.652 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.494 ' OE1' HD21 ' A' ' 350' ' ' LEU . 2.2 mt-30 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.213 -0.93 . . . . 1.19 109.814 -179.643 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.04 -0.726 . . . . 2.11 109.04 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -96.09 149.21 21.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.028 . . . . 0.64 109.858 -179.702 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.9 m-85 -138.01 -168.97 2.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.49 109.358 179.854 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.8 p -154.19 158.9 41.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.47 109.616 -179.819 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tp -147.04 128.93 15.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.379 -0.825 . . . . 0.42 109.557 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.3 129.85 34.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.394 -0.816 . . . . 1.81 109.722 -179.95 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.659 HD13 ' CD2' ' C' ' 341' ' ' PHE . 46.5 mt -123.65 120.5 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.42 109.388 179.753 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.28 151.45 41.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -0.937 . . . . 2.35 109.759 -179.855 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.27 138.85 4.58 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.795 -1.322 . . . . 0.41 109.795 179.686 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -79.13 -45.78 19.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -1.137 . . . . 2.59 109.43 179.94 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.63 -46.69 86.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 2.54 109.473 179.964 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.726 ' HD2' HD13 ' A' ' 348' ' ' LEU . 6.6 tpp180 -61.2 -44.74 96.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.367 -0.833 . . . . 3.39 109.8 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' A' ' 329' ' ' THR . 23.9 t80 -54.91 -56.35 20.48 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.522 -0.737 . . . . 0.47 109.732 -179.716 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.88 -37.77 60.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.4 -0.813 . . . . 1.66 110.005 -179.573 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.68 86.97 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.925 . . . . 0.61 110.129 -179.364 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.659 ' CD2' HD13 ' C' ' 332' ' ' ILE . 28.5 m-85 -61.45 -51.37 69.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.33 109.358 -179.763 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 10.5 ttm180 -50.99 -37.74 46.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 3.28 109.686 179.923 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.48 -46.23 90.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.266 -0.896 . . . . 1.78 110.129 -179.532 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 344' ' ' LEU . 74.6 mt -61.64 -43.32 99.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.38 109.545 -179.724 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.3 t30 -58.25 -46.46 85.94 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 1.2 109.743 -179.894 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.74 -37.29 86.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 2.12 109.79 -179.649 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.89 -48.02 83.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.26 110.052 -179.71 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 337' ' ' ARG . 50.6 mt -61.53 -44.75 96.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.35 -0.844 . . . . 0.4 109.772 -179.672 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.26 -36.49 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.175 -0.953 . . . . 2.09 109.475 179.938 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 350' ' ' LEU . 15.7 tp -64.22 -41.42 97.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.75 109.46 179.96 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.33 -49.32 76.06 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.422 -0.799 . . . . 2.19 109.089 179.909 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.93 -30.92 64.44 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.62 -0.675 . . . . 1.34 109.652 179.723 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.78 84.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.356 -0.84 . . . . 0.72 109.929 -179.583 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' D' ' 350' ' ' LEU . 2.2 mt-30 . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 1.8 109.855 -179.712 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.139 -0.689 . . . . 1.67 109.139 . . . . . . . . . 0 0 . 1 . 070 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -95.89 149.36 21.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.95 -1.093 . . . . 0.61 109.881 -179.701 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 92.9 m-85 -138.05 -168.98 2.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.56 109.224 179.899 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.3 p -154.26 158.94 40.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.43 109.634 -179.884 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -147.07 129.03 15.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.35 109.478 -179.818 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 37.0 tt0 -87.34 129.86 34.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.37 109.631 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' D' ' 341' ' ' PHE . 45.9 mt -123.68 120.59 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.14 -0.975 . . . . 0.48 109.389 179.606 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -73.16 151.74 41.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 2.08 109.765 -179.915 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.94 138.95 4.43 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.764 -1.334 . . . . 0.4 109.764 179.765 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.21 -45.78 19.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -1.145 . . . . 2.64 109.323 179.89 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.68 -46.58 86.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.37 -0.831 . . . . 2.22 109.522 179.987 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.733 ' HD2' HD13 ' B' ' 348' ' ' LEU . 6.6 tpp180 -61.25 -44.86 96.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.295 -0.878 . . . . 2.74 109.754 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' O ' ' B' ' 329' ' ' THR . 24.0 t80 -54.79 -56.36 20.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.417 -0.802 . . . . 0.43 109.876 -179.748 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -52.78 -37.78 60.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.434 -0.791 . . . . 1.69 110.089 -179.699 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.58 87.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.43 110.214 -179.379 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.661 ' CD2' HD13 ' D' ' 332' ' ' ILE . 28.7 m-85 -61.49 -51.47 68.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.27 109.326 -179.839 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' B' ' 330' ' ' LEU . 10.5 ttm180 -50.94 -37.61 45.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 2.45 109.722 179.976 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.46 -46.29 90.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.297 -0.877 . . . . 1.75 110.141 -179.582 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' D' ' 344' ' ' LEU . 75.6 mt -61.71 -43.23 99.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.31 109.661 -179.667 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.16 -46.52 85.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 1.22 109.748 179.925 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.77 -37.29 86.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 1.73 109.79 -179.607 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -48.12 82.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.357 -0.839 . . . . 0.28 110.025 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' B' ' 337' ' ' ARG . 51.7 mt -61.5 -44.68 96.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.31 109.793 -179.689 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.36 -36.49 75.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 1.91 109.503 179.87 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' C' ' 354' ' ' GLN . 15.8 tp -64.24 -41.42 96.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 0.43 109.46 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.26 -49.46 75.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.349 -0.844 . . . . 1.57 109.044 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.91 -30.89 64.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.634 -0.666 . . . . 1.44 109.622 179.762 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.67 84.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.64 109.963 -179.605 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.17 -0.956 . . . . 1.21 109.804 -179.687 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.465 -0.568 . . . . 1.7 109.465 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.3 158.81 15.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 0.61 109.355 179.938 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.4 m-85 -139.72 -169.46 2.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.58 109.523 -179.962 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -153.58 156.24 37.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.324 -0.86 . . . . 0.42 109.377 -179.854 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.432 HD13 ' HG3' ' C' ' 342' ' ' ARG . 29.1 tp -149.67 135.4 18.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.36 109.522 -179.733 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.85 134.23 33.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.37 109.499 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 341' ' ' PHE . 45.5 mt -124.05 111.4 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.47 109.571 179.96 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.38 144.0 46.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 2.1 109.494 179.833 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.44 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 100.49 140.19 11.2 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.725 -1.35 . . . . 0.42 109.725 179.809 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -79.82 -59.46 2.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -1.159 . . . . 2.68 109.473 179.866 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.81 -42.4 89.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.387 -0.82 . . . . 2.22 109.786 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 340' ' ' MET . 5.8 ttm180 -60.41 -44.09 96.06 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.364 -0.835 . . . . 2.77 109.94 -179.606 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.509 ' HA ' HG21 ' A' ' 332' ' ' ILE . 34.9 t80 -54.52 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.283 -0.886 . . . . 0.43 109.66 -179.791 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.6 -31.32 35.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 1.66 109.985 -179.848 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.453 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 2.9 ttp -65.88 -50.2 65.36 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.21 -0.931 . . . . 0.44 109.756 -179.813 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.638 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -60.59 -52.57 64.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.29 109.328 -179.941 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.438 ' HG3' HD13 ' C' ' 330' ' ' LEU . 7.6 ttm180 -50.66 -37.1 38.9 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 2.44 109.633 179.824 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.74 -45.34 94.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 1.74 109.854 -179.823 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -61.91 -44.86 95.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.3 109.604 -179.762 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.56 -45.3 85.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.321 -0.862 . . . . 1.22 109.593 179.944 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.71 -36.29 82.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 1.72 109.515 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.37 -50.5 73.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.27 109.799 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.558 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 18.8 mt -61.13 -42.36 98.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.151 -0.968 . . . . 0.29 109.601 -179.646 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.301 -0.875 . . . . 1.91 109.445 179.936 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.509 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 33.0 tp -63.9 -40.92 97.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.378 -0.826 . . . . 0.41 109.369 179.958 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -50.34 72.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.837 -0.801 . . . . 1.56 108.837 179.666 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -31.46 63.96 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.701 -0.625 . . . . 1.43 109.562 179.706 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.99 79.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.66 109.44 -179.758 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.9 . . . . 1.18 109.485 179.952 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.512 -0.551 . . . . 1.61 109.512 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.27 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.57 109.416 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 90.7 m-85 -139.7 -169.51 2.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.234 -0.916 . . . . 0.53 109.571 -179.927 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 35.0 p -153.54 156.32 37.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.207 -0.933 . . . . 0.38 109.397 -179.904 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.444 HD13 ' HG3' ' D' ' 342' ' ' ARG . 28.7 tp -149.77 135.36 18.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.202 -0.936 . . . . 0.36 109.542 -179.689 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 35.4 tt0 -85.89 134.27 33.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.36 109.476 -179.945 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.4 mt -124.01 111.41 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.49 109.598 179.942 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.43 143.98 46.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 2.1 109.522 179.823 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 100.56 140.11 11.16 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.727 -1.349 . . . . 0.44 109.727 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.505 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -79.75 -59.38 2.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -1.116 . . . . 2.72 109.463 179.954 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.88 -42.48 89.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 2.21 109.726 -179.991 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' B' ' 340' ' ' MET . 5.7 ttm180 -60.37 -44.02 95.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.302 -0.873 . . . . 2.79 109.975 -179.556 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.507 ' HA ' HG21 ' B' ' 332' ' ' ILE . 34.9 t80 -54.46 -58.27 8.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.829 . . . . 0.45 109.591 -179.819 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.46 -31.52 35.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 1.68 109.859 -179.745 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 2.9 ttp -65.81 -50.19 65.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.43 109.724 -179.721 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -60.64 -52.6 64.46 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.255 -0.903 . . . . 0.28 109.299 -179.871 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' D' ' 330' ' ' LEU . 7.7 ttm180 -50.67 -37.05 38.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.398 -0.814 . . . . 2.52 109.611 179.848 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.85 -45.13 95.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 1.75 109.957 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' A' ' 344' ' ' LEU . 72.7 mt -61.96 -44.9 95.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.31 109.605 -179.866 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.49 -45.4 84.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.214 -0.929 . . . . 1.21 109.547 179.985 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -36.26 82.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.873 . . . . 1.69 109.558 -179.885 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.46 -50.32 74.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.27 109.87 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.569 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 18.9 mt -61.32 -42.32 98.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.3 109.512 -179.645 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.54 -37.33 78.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.93 109.467 179.885 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 33.4 tp -63.86 -40.99 97.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.4 109.373 179.924 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.41 72.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.274 -0.891 . . . . 1.59 108.799 179.719 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -31.5 63.82 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.729 -0.607 . . . . 1.43 109.635 179.659 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.87 79.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.65 109.521 -179.825 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 1.19 109.511 179.939 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.483 -0.562 . . . . 2.11 109.483 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -93.26 158.78 15.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.64 109.408 179.932 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.4 m-85 -139.68 -169.58 2.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.49 109.513 -179.836 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.402 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 35.2 p -153.5 156.13 37.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.232 -0.918 . . . . 0.47 109.41 -179.952 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 342' ' ' ARG . 28.7 tp -149.52 135.54 18.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.42 109.657 -179.847 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.98 134.16 33.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.955 . . . . 1.81 109.454 -179.896 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.0 mt -123.93 111.37 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.958 . . . . 0.42 109.613 179.977 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.54 144.07 46.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.218 -0.926 . . . . 2.35 109.445 179.889 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 100.5 140.13 11.17 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.776 -1.33 . . . . 0.41 109.776 179.883 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -79.8 -59.32 2.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -1.159 . . . . 2.59 109.511 179.885 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.94 -42.43 89.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 2.54 109.755 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' C' ' 340' ' ' MET . 5.7 ttm180 -60.3 -44.27 95.56 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 3.39 109.875 -179.615 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.522 ' HA ' HG21 ' C' ' 332' ' ' ILE . 35.1 t80 -54.37 -58.25 8.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.247 -0.908 . . . . 0.47 109.687 -179.699 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.4 -31.5 34.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 1.66 109.98 -179.879 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 2.8 ttp -65.75 -50.2 65.63 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.29 -0.881 . . . . 0.61 109.681 -179.736 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.54 64.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.247 -0.908 . . . . 0.33 109.333 -179.837 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.432 ' HG3' HD13 ' A' ' 330' ' ' LEU . 7.7 ttm180 -50.75 -37.03 39.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.397 -0.814 . . . . 3.28 109.531 179.871 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.7 -45.34 94.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.206 -0.934 . . . . 1.78 109.889 -179.786 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' D' ' 344' ' ' LEU . 72.6 mt -61.88 -44.9 95.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.38 109.554 -179.746 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.58 -45.34 85.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 1.2 109.544 -179.959 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.69 -36.13 81.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.287 -0.883 . . . . 2.12 109.582 -179.911 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.54 -50.31 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.26 109.886 -179.864 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.525 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 18.7 mt -61.2 -42.35 98.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.848 . . . . 0.4 109.646 -179.785 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.5 -37.37 78.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.09 109.456 179.903 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 33.2 tp -63.88 -40.93 97.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.3 -0.875 . . . . 0.75 109.376 179.994 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -50.43 72.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.383 -0.823 . . . . 2.19 108.889 179.602 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.685 -0.634 . . . . 1.34 109.589 179.698 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.83 78.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.28 -0.888 . . . . 0.72 109.491 -179.776 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.903 . . . . 1.8 109.556 179.879 . . . . . . . . 0 0 . 1 . 071 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.499 -0.556 . . . . 1.67 109.499 . . . . . . . . . 0 0 . 1 . 071 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.26 158.79 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 0.61 109.338 179.975 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.5 m-85 -139.83 -169.6 2.75 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.17 -0.956 . . . . 0.56 109.553 -179.988 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 34.7 p -153.49 156.33 37.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.43 109.379 -179.892 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' ' 342' ' ' ARG . 28.7 tp -149.69 135.39 18.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.35 109.521 -179.639 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.3 tt0 -85.87 134.18 33.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.32 -0.862 . . . . 1.37 109.517 179.969 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.62 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.6 mt -124.03 111.34 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.48 109.592 179.961 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.36 144.04 46.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.241 -0.912 . . . . 2.08 109.487 179.843 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 100.54 140.16 11.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.734 -1.346 . . . . 0.4 109.734 179.78 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -79.87 -59.35 2.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 2.64 109.437 179.904 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.86 -42.53 89.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 2.22 109.674 -179.956 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' D' ' 340' ' ' MET . 5.8 ttm180 -60.36 -44.11 95.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.217 -0.927 . . . . 2.74 109.814 -179.474 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.526 ' HA ' HG21 ' D' ' 332' ' ' ILE . 34.7 t80 -54.55 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.961 . . . . 0.43 109.611 -179.723 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.54 -31.4 35.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.69 110.019 -179.821 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 2.9 ttp -65.91 -50.1 65.65 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.063 -1.023 . . . . 0.43 109.66 -179.734 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.62 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.63 64.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.27 109.269 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.444 ' HG3' HD13 ' B' ' 330' ' ' LEU . 7.7 ttm180 -50.62 -37.1 38.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.314 -0.866 . . . . 2.45 109.569 179.881 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.68 -45.3 94.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 1.75 109.881 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' C' ' 344' ' ' LEU . 72.3 mt -61.99 -44.95 95.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.943 . . . . 0.31 109.538 -179.659 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.44 -45.42 84.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 1.22 109.566 179.912 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.64 -36.22 82.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.432 -0.793 . . . . 1.73 109.557 -179.915 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.51 -50.29 74.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.28 109.904 -179.884 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.611 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 18.9 mt -61.25 -42.31 98.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.848 . . . . 0.31 109.625 -179.763 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.62 -37.16 77.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.91 109.466 179.921 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 33.4 tp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.313 -0.867 . . . . 0.43 109.325 -179.964 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -50.33 72.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.796 -0.816 . . . . 1.57 108.796 179.677 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -31.38 64.06 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.609 -0.682 . . . . 1.44 109.624 179.746 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.0 79.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.64 109.519 -179.9 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.21 109.569 179.877 . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.322 0.582 . . . . 1.7 109.461 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.82 154.43 17.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -0.915 . . . . 0.61 109.505 -179.92 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.6 m-85 -138.14 -169.39 2.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.164 -0.96 . . . . 0.58 109.675 179.93 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.2 p -154.0 157.5 39.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.42 109.226 -179.757 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.7 tp -149.26 130.28 14.4 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.18 -0.95 . . . . 0.36 109.388 -179.941 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.4 tt0 -86.61 132.76 33.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 1.37 109.369 179.794 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.595 HD12 ' CD1' ' A' ' 338' ' ' PHE . 28.4 mt -124.11 116.17 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.179 -0.951 . . . . 0.47 109.555 179.768 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.04 42.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.482 -0.761 . . . . 2.1 109.174 179.671 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.77 134.72 7.48 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.754 -1.338 . . . . 0.42 109.754 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -77.38 -63.35 1.39 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.243 -1.151 . . . . 2.68 109.34 -179.924 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.13 -38.21 76.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.391 -0.818 . . . . 2.22 109.819 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.775 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -63.06 -46.1 89.05 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.236 -0.915 . . . . 2.77 109.548 -179.867 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 332' ' ' ILE . 53.9 t80 -53.47 -51.05 63.98 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.313 -0.867 . . . . 0.43 109.677 -179.861 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -52.49 -39.21 60.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.31 -0.869 . . . . 1.66 110.06 -179.735 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -61.89 -47.97 82.58 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.186 -0.946 . . . . 0.44 110.232 -179.115 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 25.0 m-85 -60.34 -54.55 44.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.166 -0.959 . . . . 0.29 109.239 -179.808 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.25 -36.32 30.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.357 -0.839 . . . . 2.44 109.367 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.31 -48.35 81.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 1.74 109.707 -179.896 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.63 -40.64 92.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -0.898 . . . . 0.3 109.407 -179.534 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 44.4 t30 -58.11 -47.74 82.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.327 -0.858 . . . . 1.22 109.491 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.09 -35.2 79.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.84 . . . . 1.72 109.872 -179.656 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -49.36 77.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.27 109.839 -179.709 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.884 HD22 HH12 ' C' ' 337' ' ' ARG . 46.5 mt -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.29 109.802 -179.82 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.4 -37.63 81.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 1.91 109.624 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.723 HD21 ' OE1' ' B' ' 354' ' ' GLN . 8.8 tp -63.87 -44.19 93.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.41 109.667 -179.593 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HA ' HD22 ' B' ' 350' ' ' LEU . 35.0 ttmt -62.26 -42.42 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 1.56 109.063 179.986 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.86 -32.03 63.29 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.601 -0.687 . . . . 1.43 109.546 179.725 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.96 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.214 -0.929 . . . . 0.66 109.525 -179.939 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.656 ' OE1' HD21 ' B' ' 350' ' ' LEU . 3.1 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 1.18 109.595 179.929 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.357 0.599 . . . . 1.61 109.524 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.84 154.41 17.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -0.933 . . . . 0.57 109.49 -179.873 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.5 m-85 -138.2 -169.4 2.57 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.151 -0.968 . . . . 0.53 109.741 179.878 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.2 p -153.9 157.62 39.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.285 -0.884 . . . . 0.38 109.276 -179.742 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.6 tp -149.33 130.22 14.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.36 109.537 -179.983 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.59 132.45 33.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -0.871 . . . . 1.36 109.434 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' B' ' 338' ' ' PHE . 27.7 mt -124.06 115.98 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.49 109.594 179.913 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.77 139.31 43.25 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.454 -0.779 . . . . 2.1 109.267 179.684 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.41 134.93 7.63 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.766 -1.333 . . . . 0.44 109.766 179.908 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -77.46 -63.47 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.349 -1.089 . . . . 2.72 109.339 179.918 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.79 . . . . 2.21 109.84 -179.62 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' D' ' 348' ' ' LEU . 11.2 tpp180 -62.95 -46.02 89.74 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.252 -0.905 . . . . 2.79 109.635 -179.816 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.601 ' CD1' HD12 ' B' ' 332' ' ' ILE . 53.9 t80 -53.55 -51.03 64.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.298 -0.876 . . . . 0.45 109.719 -179.884 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.43 -39.2 60.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.904 . . . . 1.68 110.095 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -61.79 -47.93 82.9 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.104 -0.998 . . . . 0.43 110.31 -179.151 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.659 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 24.8 m-85 -60.48 -54.68 42.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.28 109.06 -179.8 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.07 -36.58 29.84 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.52 109.39 179.769 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.16 -48.27 82.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.75 109.782 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.58 -40.58 92.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.31 109.427 -179.553 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.441 ' HB2' HD21 ' D' ' 330' ' ' LEU . 43.8 t30 -58.21 -48.03 81.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.276 -0.89 . . . . 1.21 109.455 179.721 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.8 -35.15 78.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -0.807 . . . . 1.69 110.054 -179.718 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.66 -49.49 77.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.27 109.757 -179.743 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.802 HD22 HH12 ' D' ' 337' ' ' ARG . 48.2 mt -62.14 -41.36 98.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.3 109.614 -179.641 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.44 -37.61 81.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 1.93 109.701 -179.995 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.656 HD21 ' OE1' ' A' ' 354' ' ' GLN . 8.8 tp -63.91 -44.15 93.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.4 109.661 -179.716 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -62.25 -42.67 99.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.217 -0.927 . . . . 1.59 108.961 179.965 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.64 -32.1 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.574 -0.703 . . . . 1.43 109.558 179.732 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.84 81.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.65 109.539 -179.812 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.723 ' OE1' HD21 ' A' ' 350' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.19 109.664 179.835 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.305 0.574 . . . . 2.11 109.503 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.81 154.24 17.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 0.64 109.481 -179.89 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.0 m-85 -138.03 -169.44 2.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.49 109.665 179.967 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.3 p -154.01 157.54 39.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 0.47 109.283 -179.842 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.32 130.06 14.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.161 -0.962 . . . . 0.42 109.464 -179.956 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.43 132.57 33.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.302 -0.874 . . . . 1.81 109.423 179.909 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.592 HD12 ' CD1' ' C' ' 338' ' ' PHE . 27.3 mt -123.94 116.11 47.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.205 -0.934 . . . . 0.42 109.582 179.868 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.0 139.08 42.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.375 -0.828 . . . . 2.35 109.244 179.576 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.72 134.94 7.56 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.725 -1.35 . . . . 0.41 109.725 179.898 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -77.66 -63.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -1.108 . . . . 2.59 109.392 179.933 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.14 -38.17 76.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -0.833 . . . . 2.54 109.769 -179.659 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.884 HH12 HD22 ' A' ' 348' ' ' LEU . 11.2 tpp180 -63.23 -46.1 88.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.206 -0.934 . . . . 3.39 109.58 -179.835 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.592 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -53.52 -50.95 64.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.367 -0.833 . . . . 0.47 109.68 -179.856 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -52.49 -39.16 60.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.842 . . . . 1.66 110.108 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.02 -47.78 83.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.233 -0.917 . . . . 0.61 110.238 -179.106 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.666 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 25.2 m-85 -60.52 -54.67 42.68 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.33 109.176 -179.858 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -50.08 -36.39 29.1 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.372 -0.83 . . . . 3.28 109.363 179.733 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -48.42 81.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.78 109.777 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' D' ' 344' ' ' LEU . 91.1 mt -60.28 -40.61 91.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 0.38 109.472 -179.574 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' A' ' 330' ' ' LEU . 43.6 t30 -58.33 -47.96 82.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.339 -0.851 . . . . 1.2 109.485 179.757 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.64 -35.46 79.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 2.12 109.913 -179.795 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.48 -49.51 77.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.264 -0.898 . . . . 0.26 109.822 -179.652 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.775 HD22 HH12 ' A' ' 337' ' ' ARG . 49.0 mt -62.2 -41.34 98.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.344 -0.848 . . . . 0.4 109.635 -179.624 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.44 -37.47 81.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.09 109.634 -179.955 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.58 HD23 HD23 ' D' ' 350' ' ' LEU . 8.8 tp -64.0 -44.29 93.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.75 109.73 -179.666 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.19 -42.43 99.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.277 -0.889 . . . . 2.19 109.003 179.951 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.83 -32.06 63.25 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.599 -0.688 . . . . 1.34 109.544 179.724 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.83 81.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.274 -0.891 . . . . 0.72 109.524 -179.872 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.771 ' OE1' HD21 ' D' ' 350' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.884 . . . . 1.8 109.703 179.876 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.294 0.569 . . . . 1.67 109.545 . . . . . . . . . 0 0 . 1 . 072 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -94.86 154.44 17.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.257 -0.902 . . . . 0.61 109.505 -179.859 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -138.26 -169.34 2.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.56 109.595 179.976 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.2 p -154.09 157.49 39.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.353 -0.842 . . . . 0.43 109.277 -179.695 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.6 tp -149.31 130.16 14.24 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.099 -1.0 . . . . 0.35 109.5 -179.935 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.51 132.7 33.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 1.37 109.401 179.927 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.593 HD12 ' CD1' ' D' ' 338' ' ' PHE . 27.8 mt -124.07 116.2 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 0.48 109.572 179.823 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.96 139.13 42.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 2.08 109.181 179.648 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.56 134.6 7.5 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.706 -1.358 . . . . 0.4 109.706 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -77.34 -63.53 1.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.316 -1.108 . . . . 2.64 109.292 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.88 -38.32 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.371 -0.831 . . . . 2.22 109.833 -179.612 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.802 HH12 HD22 ' B' ' 348' ' ' LEU . 11.2 tpp180 -63.06 -46.15 88.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.227 -0.92 . . . . 2.74 109.56 -179.886 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.3 t80 -53.43 -50.93 64.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.349 -0.844 . . . . 0.43 109.729 -179.93 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -52.58 -39.15 61.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.875 . . . . 1.69 110.016 -179.732 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.9 -47.99 82.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.238 -0.914 . . . . 0.43 110.3 -179.094 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 25.0 m-85 -60.35 -54.57 44.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.145 -0.972 . . . . 0.27 109.224 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.2 -36.51 31.0 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.45 109.304 179.697 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.27 -48.22 82.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 1.75 109.713 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 344' ' ' LEU . 91.6 mt -60.67 -40.56 92.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.865 . . . . 0.31 109.413 -179.52 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.429 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.3 t30 -58.31 -47.8 82.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 1.22 109.507 179.802 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -35.29 79.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 1.73 109.868 -179.782 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.52 -49.58 76.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.28 109.84 -179.698 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' B' ' 337' ' ' ARG . 49.3 mt -62.16 -41.26 98.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.31 109.692 -179.715 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.51 -37.42 81.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.139 -0.976 . . . . 1.91 109.746 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.771 HD21 ' OE1' ' C' ' 354' ' ' GLN . 8.9 tp -63.94 -44.3 93.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.43 109.711 -179.806 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.22 -42.61 99.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.57 109.016 179.923 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.71 -31.98 62.94 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.537 -0.727 . . . . 1.44 109.57 179.698 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.98 81.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.91 . . . . 0.64 109.489 -179.878 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.568 ' OE1' HD21 ' C' ' 350' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.21 109.693 179.898 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.203 0.525 . . . . 1.7 109.629 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.68 17.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.61 109.453 179.897 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.3 m-85 -140.47 -171.89 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 0.58 109.58 -179.934 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 6.1 p -153.24 159.63 42.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.42 109.383 -179.799 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.5 tp -149.1 130.59 14.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.36 109.597 -179.791 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.264 -0.898 . . . . 1.37 109.452 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.4 mt -124.02 119.05 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.973 . . . . 0.47 109.701 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 12.9 ttt180 -74.02 154.29 39.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.1 109.5 179.774 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.69 137.11 4.21 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.876 -1.29 . . . . 0.42 109.876 179.679 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.91 -52.24 7.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -1.201 . . . . 2.68 109.388 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -58.02 -46.22 85.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 2.22 109.276 179.858 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.56 -40.87 93.18 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.303 -0.873 . . . . 2.77 109.337 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' C' ' 329' ' ' THR . 41.4 t80 -55.39 -55.58 30.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 0.43 109.564 -179.948 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.22 -32.5 24.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.324 -0.86 . . . . 1.66 109.865 -179.788 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 8.9 ttp -64.24 -50.81 66.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.2 -0.937 . . . . 0.44 109.953 -179.616 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.533 ' HB2' HD13 ' A' ' 332' ' ' ILE . 42.9 m-85 -61.14 -55.93 26.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.29 109.214 -179.931 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.22 -33.46 27.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 2.44 109.437 179.766 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 340' ' ' MET . 1.6 tt0 -61.27 -50.18 74.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.318 -0.864 . . . . 1.74 109.555 -179.892 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' B' ' 344' ' ' LEU . 87.9 mt -61.37 -35.04 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 0.3 108.967 179.728 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.45 65.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 1.22 109.435 179.599 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.81 -32.6 73.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.413 -0.804 . . . . 1.72 109.791 -179.866 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.48 -52.79 63.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.171 -0.956 . . . . 0.27 109.923 -179.692 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.425 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 32.4 mt -61.16 -43.01 99.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.29 109.544 -179.652 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.54 -35.62 74.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 1.91 109.658 -179.966 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.81 -43.22 93.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.281 -0.887 . . . . 0.41 109.24 179.943 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.1 ttmm -61.43 -47.76 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.89 -0.782 . . . . 1.56 108.89 179.751 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.76 -30.88 65.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.504 -0.747 . . . . 1.43 109.352 179.574 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.99 -33.37 75.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.454 -0.779 . . . . 0.66 109.608 -179.817 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 1.18 109.381 179.912 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.229 0.538 . . . . 1.61 109.558 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.03 154.62 17.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 0.57 109.459 179.884 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -140.35 -171.94 3.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.53 109.601 -179.888 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 6.1 p -153.2 159.71 42.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.38 109.431 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -149.1 130.57 14.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.36 109.562 -179.718 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.46 129.9 34.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 1.36 109.499 -179.983 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.4 mt -124.04 118.97 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.013 . . . . 0.49 109.682 179.948 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 12.9 ttt180 -73.97 154.28 39.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 2.1 109.508 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.66 137.09 4.19 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.677 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.8 -52.32 7.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -1.124 . . . . 2.72 109.444 179.816 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.98 -46.17 85.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.21 109.316 179.862 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -40.96 93.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.381 -0.824 . . . . 2.79 109.385 179.872 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.16 -55.65 28.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.745 . . . . 0.45 109.627 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -51.33 -32.46 25.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -0.838 . . . . 1.68 109.812 -179.758 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.78 66.7 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.668 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' B' ' 332' ' ' ILE . 42.7 m-85 -61.08 -55.96 26.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.352 -0.843 . . . . 0.28 109.226 -179.893 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.33 -33.32 28.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.406 -0.809 . . . . 2.52 109.464 179.792 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.28 -50.3 73.57 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.19 -0.944 . . . . 1.75 109.502 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' A' ' 344' ' ' LEU . 88.4 mt -61.32 -34.98 76.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.31 109.029 179.704 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.5 t-20 -58.94 -52.42 65.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.402 -0.811 . . . . 1.21 109.318 179.608 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.9 -32.53 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.452 -0.78 . . . . 1.69 109.751 -179.775 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.65 -52.64 64.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.27 109.868 -179.619 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.44 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 32.6 mt -61.22 -42.97 99.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 0.3 109.541 -179.727 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.54 -35.74 74.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.93 109.57 -179.951 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.699 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.87 -43.07 94.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.368 -0.832 . . . . 0.4 109.258 -179.954 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.2 ttmm -61.43 -47.8 84.1 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.891 -0.781 . . . . 1.59 108.891 179.746 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.71 -30.88 65.89 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.599 -0.688 . . . . 1.43 109.392 179.522 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.32 75.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.65 109.52 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.217 -0.927 . . . . 1.19 109.352 179.923 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.226 0.536 . . . . 2.11 109.603 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.62 17.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.64 109.585 179.804 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.8 m-85 -140.38 -171.93 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.105 -0.997 . . . . 0.49 109.636 -179.898 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 6.3 p -153.22 159.55 42.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.279 -0.888 . . . . 0.47 109.465 -179.834 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -149.08 130.67 14.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.42 109.541 -179.789 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.5 129.89 34.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.81 109.487 -179.996 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 41.9 mt -124.07 119.02 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.187 -0.946 . . . . 0.42 109.679 179.899 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 12.9 ttt180 -73.99 154.37 39.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 2.35 109.567 179.748 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.59 137.07 4.14 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.917 -1.273 . . . . 0.41 109.917 179.78 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.77 -52.39 7.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.106 . . . . 2.59 109.437 179.802 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.92 -46.27 85.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 2.54 109.225 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -40.99 93.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.31 -0.869 . . . . 3.39 109.284 179.952 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -55.18 -55.67 28.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 0.47 109.579 -179.937 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.36 -32.4 25.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 1.66 109.849 -179.718 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 8.8 ttp -64.23 -50.74 66.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.139 -0.976 . . . . 0.61 110.01 -179.682 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' C' ' 332' ' ' ILE . 42.8 m-85 -61.07 -56.08 25.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.33 109.172 -179.956 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.09 -33.38 25.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 3.28 109.553 179.749 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' C' ' 340' ' ' MET . 1.6 tt0 -61.34 -50.21 73.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.904 . . . . 1.78 109.519 -179.889 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' D' ' 344' ' ' LEU . 87.8 mt -61.49 -34.8 76.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.226 -0.921 . . . . 0.38 109.0 179.815 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.5 t-20 -59.01 -52.43 65.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.382 -0.823 . . . . 1.2 109.422 179.487 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.76 -32.68 73.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.371 -0.831 . . . . 2.12 109.817 -179.89 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -52.68 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.26 109.942 -179.658 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.426 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 32.8 mt -61.31 -42.89 99.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 0.4 109.571 -179.726 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.49 -35.71 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 2.09 109.598 179.953 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.92 -43.08 93.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.75 109.278 -179.941 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -61.33 -47.78 84.33 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.45 -0.781 . . . . 2.19 108.992 179.626 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.79 -30.81 65.98 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.567 -0.708 . . . . 1.34 109.408 179.549 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -33.31 75.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.469 -0.769 . . . . 0.72 109.524 -179.773 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.8 109.376 179.864 . . . . . . . . 0 0 . 1 . 073 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.575 -0.528 . . . . 1.67 109.575 . . . . . . . . . 0 0 . 1 . 073 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.99 154.52 17.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.61 109.565 179.795 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 66.9 m-85 -140.32 -171.9 3.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 0.56 109.537 -179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 6.1 p -153.22 159.6 42.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.43 109.439 -179.819 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.2 tp -149.08 130.56 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.35 109.62 -179.804 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 129.96 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.343 -0.848 . . . . 1.37 109.517 179.96 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' D' ' 341' ' ' PHE . 40.8 mt -124.09 118.91 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.224 -0.923 . . . . 0.48 109.72 179.969 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 12.9 ttt180 -73.93 154.41 39.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 2.08 109.5 179.8 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.55 137.04 4.1 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.92 -1.272 . . . . 0.4 109.92 179.681 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.89 -52.2 7.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -1.112 . . . . 2.64 109.372 179.932 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.04 -46.24 85.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 2.22 109.351 179.827 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -41.06 93.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.354 -0.841 . . . . 2.74 109.266 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.6 t80 -55.24 -55.64 29.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 0.43 109.551 -179.922 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -51.33 -32.4 25.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.69 109.81 -179.71 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.87 66.34 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.153 -0.967 . . . . 0.43 109.936 -179.681 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.539 ' HB2' HD13 ' D' ' 332' ' ' ILE . 42.7 m-85 -61.09 -56.02 25.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.27 109.158 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.23 -33.33 27.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 2.45 109.43 179.814 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.33 -50.26 73.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -0.935 . . . . 1.75 109.494 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' C' ' 344' ' ' LEU . 88.1 mt -61.44 -34.97 76.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -0.876 . . . . 0.31 108.903 179.77 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.43 65.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.374 -0.829 . . . . 1.22 109.42 179.565 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.86 -32.54 73.79 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.49 -0.756 . . . . 1.73 109.756 -179.772 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.53 -52.79 63.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.28 109.927 -179.65 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 32.1 mt -61.15 -42.89 99.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -0.937 . . . . 0.31 109.62 -179.719 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.68 -35.58 74.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.235 -0.916 . . . . 1.91 109.637 -179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.86 -43.16 93.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.43 109.145 -179.973 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -61.4 -47.82 84.04 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.38 -0.825 . . . . 1.57 108.953 179.711 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.76 -30.89 65.98 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.537 -0.727 . . . . 1.44 109.353 179.582 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.37 75.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.367 -0.833 . . . . 0.64 109.608 -179.785 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.194 -0.941 . . . . 1.21 109.451 179.851 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.283 0.563 . . . . 1.7 109.613 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.13 159.52 15.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.61 109.439 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.3 m-85 -139.48 -169.91 2.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 0.58 109.493 -179.892 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 329' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 5.9 p -153.9 159.61 41.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.42 109.521 -179.776 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.98 129.98 14.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.36 109.429 -179.855 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 43.1 tt0 -87.14 128.21 35.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.314 -0.866 . . . . 1.37 109.753 -179.929 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.3 mt -124.23 115.9 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.47 109.563 179.737 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -73.88 150.71 40.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 2.1 109.568 179.929 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 95.12 133.6 7.34 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.824 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.0 ttt180 -76.85 -58.12 3.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.118 . . . . 2.68 109.356 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.99 -42.54 90.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.4 -0.813 . . . . 2.22 109.37 179.898 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.9 OUTLIER -60.5 -46.62 89.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.296 -0.878 . . . . 2.77 109.424 -179.883 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.6 t80 -55.73 -51.34 67.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.43 109.606 179.923 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.56 20.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 1.66 109.702 -179.811 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.81 -49.8 73.5 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.256 -0.903 . . . . 0.44 109.865 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -60.95 -54.8 40.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.194 -0.941 . . . . 0.29 109.151 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.51 23.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.467 -0.771 . . . . 2.44 109.525 179.833 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.95 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.919 . . . . 1.74 109.698 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' B' ' 344' ' ' LEU . 97.3 mt -61.34 -33.97 74.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.944 . . . . 0.3 109.103 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.642 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.7 t-20 -59.63 -51.13 71.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.841 . . . . 1.22 109.464 179.741 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 1.72 109.759 -179.736 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.62 -47.79 84.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.263 -0.898 . . . . 0.27 110.045 -179.626 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.546 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 57.0 mt -61.55 -45.38 94.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.29 109.784 -179.608 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.5 -35.3 75.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 1.91 109.634 179.92 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.85 -47.46 77.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.289 -0.882 . . . . 0.41 109.79 -179.82 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.68 -41.34 97.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.336 -0.852 . . . . 1.56 109.037 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.25 -34.33 68.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.65 -0.656 . . . . 1.43 109.565 179.644 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.54 89.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.66 109.354 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.91 . . . . 1.18 109.601 179.892 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.286 0.565 . . . . 1.61 109.552 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 12.5 m-85 -93.16 159.46 15.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 0.57 109.469 179.869 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.2 m-85 -139.47 -169.89 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.53 109.574 -179.916 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 5.8 p -153.96 159.62 41.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.187 -0.946 . . . . 0.38 109.488 -179.837 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -148.98 130.02 14.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.36 109.402 -179.885 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 43.1 tt0 -87.09 128.25 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 1.36 109.751 -179.917 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.564 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.4 mt -124.22 115.87 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.49 109.534 179.728 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -73.79 150.72 40.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 2.1 109.631 179.831 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.507 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.03 133.66 7.33 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.715 -1.354 . . . . 0.44 109.715 179.746 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.1 ttt180 -76.79 -58.08 3.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -1.12 . . . . 2.72 109.442 179.882 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.9 -42.67 90.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 2.21 109.394 179.795 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.9 OUTLIER -60.47 -46.63 89.39 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.267 -0.896 . . . . 2.79 109.439 -179.887 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.4 t80 -55.74 -51.41 67.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.45 109.529 -179.984 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.79 -34.64 20.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.851 . . . . 1.68 109.661 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -62.87 -49.71 73.79 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.102 -0.999 . . . . 0.43 109.803 -179.664 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.04 -54.82 40.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.204 -0.935 . . . . 0.28 109.087 -179.976 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.55 23.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.443 -0.785 . . . . 2.52 109.484 179.896 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.86 -51.92 67.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 1.75 109.783 -179.894 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 344' ' ' LEU . 97.4 mt -61.25 -34.05 74.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.229 -0.919 . . . . 0.31 109.058 179.935 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.62 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.7 t-20 -59.59 -51.18 70.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.428 -0.795 . . . . 1.21 109.482 179.755 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.66 81.08 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.356 -0.84 . . . . 1.69 109.773 -179.742 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.7 -47.74 84.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.27 109.993 -179.568 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.0 mt -61.5 -45.49 93.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.3 109.829 -179.661 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.43 -35.33 75.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 1.93 109.731 179.913 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.84 -47.41 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.4 109.715 -179.731 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.69 -41.42 97.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 1.59 108.994 179.929 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -34.45 68.38 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.47 -0.769 . . . . 1.43 109.506 179.627 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.47 89.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.65 109.271 -179.79 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.818 . . . . 1.19 109.622 179.853 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.307 0.575 . . . . 2.11 109.634 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.25 159.44 15.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.237 -0.914 . . . . 0.64 109.453 179.904 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.1 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.49 109.524 -179.939 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 329' ' ' THR . . . . . 0.44 HG23 ' O ' ' C' ' 328' ' ' PHE . 6.0 p -153.81 159.62 41.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 0.47 109.539 -179.851 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.4 tp -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.42 109.446 -179.864 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.06 128.26 35.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.231 -0.918 . . . . 1.81 109.773 -179.926 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' C' ' 341' ' ' PHE . 29.4 mt -124.27 115.76 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.42 109.598 179.748 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -73.71 150.66 41.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 2.35 109.621 179.953 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 95.01 133.71 7.35 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.719 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.2 ttt180 -76.77 -58.18 3.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -1.161 . . . . 2.59 109.399 179.922 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.79 -42.78 89.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 2.54 109.369 179.839 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.9 OUTLIER -60.43 -46.54 89.64 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.373 -0.829 . . . . 3.39 109.451 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.5 t80 -55.79 -51.33 67.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.47 109.606 179.958 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.45 20.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.66 109.781 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.95 -49.73 73.58 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.131 -0.981 . . . . 0.61 109.794 -179.741 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.9 m-85 -60.95 -54.85 39.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.147 -0.97 . . . . 0.33 109.169 179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.19 -34.54 23.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.382 -0.824 . . . . 3.28 109.591 179.778 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.93 -51.85 67.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 1.78 109.758 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' D' ' 344' ' ' LEU . 97.4 mt -61.21 -34.13 74.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.38 109.153 179.814 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.7 t-20 -59.56 -51.16 71.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.49 -0.756 . . . . 1.2 109.535 179.71 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -35.65 81.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.844 . . . . 2.12 109.781 -179.733 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.61 -47.8 84.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.26 109.996 -179.675 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 57.5 mt -61.52 -45.46 94.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.881 . . . . 0.4 109.768 -179.544 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.48 -35.39 75.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.213 -0.929 . . . . 2.09 109.571 179.986 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.531 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 13.4 tp -64.85 -47.43 77.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.75 109.71 -179.681 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.67 -41.4 97.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.897 . . . . 2.19 108.984 179.938 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.499 -0.75 . . . . 1.34 109.588 179.655 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.36 89.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.72 109.378 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.8 109.618 179.825 . . . . . . . . 0 0 . 1 . 074 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.301 0.572 . . . . 1.67 109.65 . . . . . . . . . 0 0 . 1 . 074 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.25 159.51 15.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.61 109.284 -179.95 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.9 m-85 -139.49 -169.8 2.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.322 -0.861 . . . . 0.56 109.517 -179.94 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 5.8 p -153.94 159.63 41.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.43 109.428 -179.774 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.04 130.01 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.187 -0.946 . . . . 0.35 109.446 -179.969 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.15 128.24 35.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.177 -0.952 . . . . 1.37 109.704 -179.816 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -124.18 115.85 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.48 109.537 179.8 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.516 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -73.81 150.68 40.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 2.08 109.639 179.857 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.516 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.05 133.73 7.37 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.789 -1.324 . . . . 0.4 109.789 179.798 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.0 ttt180 -76.92 -58.01 3.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -1.123 . . . . 2.64 109.453 179.807 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.93 -42.73 90.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 2.22 109.429 179.793 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.9 OUTLIER -60.34 -46.69 89.01 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.335 -0.853 . . . . 2.74 109.385 -179.851 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.3 t80 -55.76 -51.37 67.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.43 109.555 -179.961 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.85 -34.52 20.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.378 -0.826 . . . . 1.69 109.745 -179.859 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.99 -49.64 73.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.186 -0.946 . . . . 0.43 109.766 -179.612 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.7 m-85 -60.93 -54.87 39.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.27 109.167 179.938 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.18 -34.59 23.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.445 -0.784 . . . . 2.45 109.555 179.824 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.91 67.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 1.75 109.757 -179.863 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' C' ' 344' ' ' LEU . 96.8 mt -61.24 -34.02 74.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.31 109.1 179.899 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.672 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.7 t-20 -59.7 -51.11 71.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 1.22 109.509 179.751 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.323 -0.861 . . . . 1.73 109.743 -179.763 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.68 -47.76 84.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.28 110.03 -179.598 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 57.2 mt -61.46 -45.47 94.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.31 109.77 -179.63 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -35.26 75.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.91 109.658 179.969 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 13.6 tp -64.88 -47.32 78.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.43 109.815 -179.838 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.6 -41.51 97.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 1.57 109.007 179.89 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.17 -34.33 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.536 -0.727 . . . . 1.44 109.572 179.683 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.5 89.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.872 . . . . 0.64 109.39 -179.92 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.381 -0.824 . . . . 1.21 109.67 179.83 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 1.7 109.451 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.9 m-85 -94.89 149.44 21.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.895 . . . . 0.61 109.506 179.846 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.4 m-85 -139.12 -168.98 2.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 0.58 109.772 -179.783 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 26.2 p -152.91 156.7 39.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.265 -0.897 . . . . 0.42 109.348 -179.721 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.05 136.21 19.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.15 -0.969 . . . . 0.36 109.634 -179.552 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 40.5 tt0 -86.53 132.19 33.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.822 . . . . 1.37 109.149 179.625 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.83 120.34 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.47 109.591 -179.896 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.91 152.37 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.337 -0.852 . . . . 2.1 109.51 179.869 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.06 2.65 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.776 -1.33 . . . . 0.42 109.776 179.657 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttm180 -81.94 -50.1 9.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -1.16 . . . . 2.68 109.452 179.787 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.58 -46.0 87.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.402 -0.811 . . . . 2.22 109.45 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.99 -41.26 96.13 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.314 -0.866 . . . . 2.77 109.385 -179.955 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 71.5 t80 -55.32 -56.51 19.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.535 -0.728 . . . . 0.43 109.721 -179.938 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.44 -35.43 39.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.828 . . . . 1.66 110.027 -179.782 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.9 -47.22 84.21 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.245 -0.91 . . . . 0.44 109.871 -179.584 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.58 -49.15 77.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 0.29 109.24 -179.996 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.37 -40.32 58.93 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.65 179.783 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.63 -42.81 97.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.74 109.831 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.08 -45.61 92.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -0.883 . . . . 0.3 109.542 -179.753 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.87 -46.2 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.34 -0.85 . . . . 1.22 109.795 -179.953 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -35.97 80.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 1.72 109.789 -179.628 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.09 -53.02 63.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.188 -0.945 . . . . 0.27 109.696 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.58 -36.3 80.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.29 109.258 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.323 -0.86 . . . . 1.91 109.535 179.914 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.29 -43.94 96.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.41 109.454 -179.928 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -61.77 -47.55 84.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.346 -0.846 . . . . 1.56 109.033 179.844 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -28.6 59.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.642 -0.661 . . . . 1.43 109.465 179.614 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.29 81.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 0.66 109.488 -179.779 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.18 109.52 179.832 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.434 -0.58 . . . . 1.61 109.434 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.8 m-85 -94.98 149.37 21.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.57 109.484 179.814 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 69.4 m-85 -138.95 -169.01 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.281 -0.887 . . . . 0.53 109.774 -179.727 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 26.3 p -152.82 156.9 39.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.38 109.349 -179.818 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.21 136.11 19.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.36 109.705 -179.617 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 40.7 tt0 -86.45 132.25 33.98 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.378 -0.827 . . . . 1.36 109.117 179.661 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.6 mt -123.9 120.35 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.967 . . . . 0.49 109.558 -179.895 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.78 152.38 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.303 -0.873 . . . . 2.1 109.538 179.797 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.47 137.09 2.6 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.881 -1.288 . . . . 0.44 109.881 179.626 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.407 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttm180 -81.93 -50.04 9.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -1.142 . . . . 2.72 109.457 179.896 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.63 -45.82 88.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 2.21 109.515 179.913 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.408 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 4.0 ttm180 -61.07 -41.36 96.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.324 -0.86 . . . . 2.79 109.39 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' B' ' 332' ' ' ILE . 72.1 t80 -55.17 -56.64 17.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.54 -0.725 . . . . 0.45 109.711 179.991 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.46 -35.42 39.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.388 -0.82 . . . . 1.68 110.005 -179.668 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.79 -47.32 83.97 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.007 -1.058 . . . . 0.43 109.834 -179.596 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.64 -49.01 78.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.28 109.213 -179.871 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -51.53 -40.17 59.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 2.52 109.59 179.858 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.74 -42.75 97.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.75 109.838 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.1 -45.54 93.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 0.31 109.576 -179.773 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -58.03 -46.08 85.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 1.21 109.674 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.07 81.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.331 -0.856 . . . . 1.69 109.768 -179.632 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -53.07 62.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 0.27 109.642 -179.729 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.449 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 17.3 mt -61.58 -36.15 79.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.3 109.399 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.23 83.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.916 . . . . 1.93 109.453 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.26 -43.84 96.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.4 109.542 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.8 -47.46 85.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -0.818 . . . . 1.59 109.055 179.762 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.58 -28.65 60.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.524 -0.735 . . . . 1.43 109.376 179.687 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.41 81.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.394 -0.816 . . . . 0.65 109.439 -179.755 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 1.19 109.584 179.793 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.393 -0.595 . . . . 2.11 109.393 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 9.1 m-85 -94.93 149.41 21.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.64 109.401 179.862 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.4 m-85 -139.0 -168.93 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.49 109.728 -179.8 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -152.82 157.04 40.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.47 109.302 -179.766 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.42 136.19 19.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.42 109.588 -179.597 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 40.5 tt0 -86.58 132.2 33.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.348 -0.845 . . . . 1.81 109.089 179.723 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.2 mt -123.78 120.22 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.42 109.716 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.75 152.4 40.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 2.35 109.544 179.854 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.5 137.11 2.62 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.675 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttm180 -82.0 -50.11 9.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -1.154 . . . . 2.59 109.362 179.95 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.53 -46.15 87.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 2.54 109.356 179.986 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.9 -41.24 95.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 3.39 109.333 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CD1' HD12 ' C' ' 332' ' ' ILE . 71.4 t80 -55.37 -56.5 19.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.47 109.708 -179.942 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.49 -35.49 40.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 1.66 109.957 -179.748 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.73 -47.37 83.88 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.142 -0.974 . . . . 0.61 109.89 -179.599 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.41 -49.16 77.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.33 109.312 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.47 -40.29 59.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.475 -0.766 . . . . 3.28 109.65 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.5 -42.89 97.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.187 -0.945 . . . . 1.78 109.906 -179.764 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 344' ' ' LEU . 91.2 mt -62.02 -45.56 93.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.38 109.624 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.95 -46.19 85.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.822 . . . . 1.2 109.787 -179.949 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -36.1 80.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 2.12 109.877 -179.758 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.04 62.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.944 . . . . 0.26 109.669 -179.697 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.68 -36.12 79.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 0.4 109.361 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.31 -38.14 82.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 2.09 109.551 179.826 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.24 -43.93 96.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.75 109.545 -179.976 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.75 -47.48 85.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 2.19 109.068 179.837 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.45 -28.83 60.66 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.566 -0.709 . . . . 1.34 109.355 179.636 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.51 81.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.72 109.491 -179.734 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 1.8 109.558 179.839 . . . . . . . . 0 0 . 1 . 075 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.386 -0.598 . . . . 1.67 109.386 . . . . . . . . . 0 0 . 1 . 075 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.9 m-85 -94.97 149.49 21.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.962 . . . . 0.61 109.435 179.833 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HG3' ' B' ' 331' ' ' GLN . 69.5 m-85 -139.08 -169.04 2.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.56 109.709 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 26.1 p -152.71 157.02 40.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.43 109.347 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.3 136.15 19.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 0.35 109.601 -179.579 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 40.6 tt0 -86.55 132.14 33.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.378 -0.826 . . . . 1.37 109.204 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.84 120.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.48 109.611 -179.874 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.77 152.33 40.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.45 -0.781 . . . . 2.08 109.649 179.804 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.16 2.68 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.8 ttm180 -82.04 -50.06 9.52 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -1.096 . . . . 2.64 109.39 179.929 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.55 -46.11 87.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 2.22 109.406 179.921 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.449 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 4.0 ttm180 -60.94 -41.29 95.98 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.296 -0.877 . . . . 2.74 109.407 -179.913 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' D' ' 332' ' ' ILE . 71.7 t80 -55.28 -56.54 18.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.498 -0.751 . . . . 0.43 109.71 -179.97 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.53 -35.42 40.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 1.69 109.982 -179.714 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.76 -47.34 83.95 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.136 -0.977 . . . . 0.43 109.875 -179.654 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -49.0 78.36 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.271 -0.893 . . . . 0.27 109.296 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.51 -40.22 59.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 2.45 109.599 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.69 -42.73 97.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 1.75 109.896 -179.682 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 344' ' ' LEU . 90.6 mt -62.0 -45.68 92.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.31 109.555 -179.848 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.93 -46.18 85.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.391 -0.818 . . . . 1.22 109.727 -179.858 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -36.13 81.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 1.73 109.862 -179.688 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -53.05 62.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.28 109.688 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.408 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 17.4 mt -61.66 -36.1 79.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 0.31 109.368 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.19 82.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.326 -0.859 . . . . 1.91 109.464 179.823 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.18 -43.89 96.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.43 109.565 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.95 -47.36 85.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.383 -0.823 . . . . 1.57 109.072 179.862 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.46 -28.7 60.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.626 -0.671 . . . . 1.44 109.442 179.517 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.34 81.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.64 109.475 -179.722 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 1.21 109.489 179.868 . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.384 -0.598 . . . . 1.7 109.384 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.3 m-85 -93.72 158.49 15.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.61 109.527 -179.88 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.0 m-85 -138.24 -166.51 2.0 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.203 -0.935 . . . . 0.58 109.601 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.95 156.74 40.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.42 109.498 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.98 132.54 16.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.926 . . . . 0.36 109.585 -179.541 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 40.4 tt0 -86.64 127.24 34.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 1.37 109.414 179.97 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.8 117.43 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.47 109.622 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.0 OUTLIER -73.48 154.3 39.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 2.1 109.437 179.986 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.56 128.26 3.03 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.744 -1.342 . . . . 0.42 109.744 179.717 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -77.07 -52.41 9.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.308 -1.113 . . . . 2.68 109.261 179.807 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -59.41 -47.1 86.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.86 . . . . 2.22 109.479 179.877 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.94 -42.66 98.6 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.296 -0.877 . . . . 2.77 109.564 -179.903 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.04 -55.94 25.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.355 -0.841 . . . . 0.43 109.659 -179.88 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.62 -34.42 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.882 . . . . 1.66 109.848 -179.706 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.4 -49.08 75.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.145 -0.972 . . . . 0.44 110.088 -179.646 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.18 -53.24 59.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.306 -0.872 . . . . 0.29 109.299 -179.781 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.65 41.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.396 -0.815 . . . . 2.44 109.717 179.745 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.9 -44.97 96.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.74 109.864 -179.797 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.41 97.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.3 109.403 -179.887 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.01 -47.83 81.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.302 -0.874 . . . . 1.22 109.549 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -36.28 80.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.72 109.92 -179.703 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.24 -46.82 88.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.27 109.971 -179.731 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.91 -47.75 83.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.29 109.817 -179.558 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.14 -34.66 72.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.91 109.769 -179.782 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.86 -47.13 79.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.272 -0.892 . . . . 0.41 109.561 -179.861 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -61.18 -39.1 88.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.363 -0.836 . . . . 1.56 109.185 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -56.57 -40.39 75.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.443 -0.786 . . . . 1.43 109.557 179.698 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.87 68.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66 109.516 -179.954 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.542 ' OE1' HD11 ' B' ' 350' ' ' LEU . 26.0 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 1.18 109.718 -179.854 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.396 -0.594 . . . . 1.61 109.396 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.5 15.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.885 . . . . 0.57 109.567 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.54 2.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.53 109.564 -179.791 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 13.4 p -151.82 156.74 40.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.38 109.522 -179.687 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.3 tp -148.97 132.56 16.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.36 109.595 -179.628 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 40.4 tt0 -86.59 127.33 34.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.38 -0.825 . . . . 1.36 109.413 179.896 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 117.51 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.166 -0.959 . . . . 0.49 109.548 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.0 OUTLIER -73.52 154.27 39.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 2.1 109.523 179.925 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.48 128.31 3.02 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.762 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -77.06 -52.34 9.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -1.098 . . . . 2.72 109.256 179.875 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.47 -47.2 86.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 2.21 109.42 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.83 -42.69 98.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.279 -0.888 . . . . 2.79 109.591 -179.933 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -54.92 -56.06 23.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -0.83 . . . . 0.45 109.618 -179.898 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.57 -34.61 26.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 1.68 109.736 -179.619 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.24 -49.12 75.39 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.211 -0.93 . . . . 0.43 110.132 -179.586 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.07 -53.37 57.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.28 109.279 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.03 -36.82 41.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 2.52 109.524 179.872 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.74 -45.04 95.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.978 . . . . 1.75 109.897 -179.743 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.47 97.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.31 109.348 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -57.99 -47.83 81.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.395 -0.816 . . . . 1.21 109.588 179.911 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -36.41 81.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -0.862 . . . . 1.69 109.917 -179.698 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -46.76 88.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.27 109.915 -179.59 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.98 -47.58 84.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.207 -0.933 . . . . 0.3 109.888 -179.563 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.22 -34.71 72.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.885 . . . . 1.93 109.713 -179.84 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.658 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.83 -47.1 79.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.4 109.578 -179.822 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 18.8 ttmm -61.21 -39.14 89.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.495 -0.753 . . . . 1.59 109.089 -179.999 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -56.64 -40.42 75.38 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.431 -0.793 . . . . 1.43 109.433 179.809 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.96 69.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 0.65 109.541 -179.971 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 350' ' ' LEU . 26.4 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.173 -0.954 . . . . 1.19 109.779 -179.886 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.354 -0.61 . . . . 2.11 109.354 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 8.3 m-85 -93.67 158.45 15.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.908 . . . . 0.64 109.49 -179.859 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.5 2.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.49 109.599 -179.794 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.85 156.74 40.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.47 109.528 -179.68 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.92 132.66 16.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.908 . . . . 0.42 109.6 -179.652 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 40.4 tt0 -86.7 127.33 34.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.81 109.387 179.915 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.86 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.217 -0.927 . . . . 0.42 109.578 -179.964 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 1.0 OUTLIER -73.43 154.25 40.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.86 . . . . 2.35 109.541 179.898 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.6 128.31 3.06 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.721 -1.352 . . . . 0.41 109.721 179.706 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -77.17 -52.38 9.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.253 -1.145 . . . . 2.59 109.28 179.738 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.4 -47.15 86.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 2.54 109.415 179.819 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.85 -42.77 98.46 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.344 -0.848 . . . . 3.39 109.511 -179.867 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.93 -56.11 23.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.381 -0.825 . . . . 0.47 109.625 -179.809 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.43 -34.57 25.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 1.66 109.868 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.32 -49.07 75.4 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.267 -0.895 . . . . 0.61 110.121 -179.656 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.13 -53.37 57.84 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.28 -0.887 . . . . 0.33 109.286 -179.819 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.366 -0.834 . . . . 3.28 109.618 179.836 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.85 -45.07 95.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 1.78 109.794 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.9 mt -61.8 -41.35 97.63 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.246 -0.908 . . . . 0.38 109.389 -179.812 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.03 -47.79 82.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.4 -0.812 . . . . 1.2 109.622 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.43 81.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 2.12 109.822 -179.717 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.2 -46.78 88.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.26 110.04 -179.625 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.92 -47.71 83.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.4 109.889 -179.665 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.13 -34.72 72.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 2.09 109.722 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.65 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.81 -47.18 78.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.75 109.584 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 18.8 ttmm -61.13 -39.12 88.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 2.19 109.132 -179.936 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.62 -40.4 75.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.376 -0.828 . . . . 1.34 109.485 179.743 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -29.75 68.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.352 -0.842 . . . . 0.72 109.543 -179.925 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' C' C ' 354' ' ' GLN . . . . . 0.435 ' OE1' HD11 ' D' ' 350' ' ' LEU . 26.2 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.282 -0.886 . . . . 1.8 109.732 -179.892 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.422 -0.584 . . . . 1.67 109.422 . . . . . . . . . 0 0 . 1 . 076 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 8.3 m-85 -93.68 158.48 15.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.61 109.532 -179.894 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.1 m-85 -138.27 -166.51 2.0 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.288 -0.882 . . . . 0.56 109.674 -179.754 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 329' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 13.6 p -151.91 156.64 40.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.43 109.518 -179.713 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.85 132.62 16.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.168 -0.957 . . . . 0.35 109.569 -179.602 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 331' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 40.5 tt0 -86.63 127.37 34.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.37 109.328 179.91 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.88 117.49 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.48 109.588 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.491 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.0 OUTLIER -73.56 154.32 39.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 2.08 109.515 179.921 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.47 128.43 3.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.781 -1.328 . . . . 0.4 109.781 179.769 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -77.16 -52.37 9.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.162 . . . . 2.64 109.306 179.792 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.46 -46.97 87.26 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 2.22 109.488 179.835 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -61.01 -42.69 98.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 2.74 109.512 -179.89 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -55.01 -55.97 25.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.43 109.63 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -50.57 -34.51 25.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.69 109.801 -179.658 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.37 -49.07 75.29 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.192 -0.942 . . . . 0.43 110.063 -179.575 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.1 -53.41 57.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.168 -0.958 . . . . 0.27 109.263 -179.837 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.69 41.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 2.45 109.555 179.908 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.93 -44.92 96.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.91 . . . . 1.75 109.837 -179.767 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.82 -41.43 97.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.31 109.372 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.97 -47.84 81.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.22 109.596 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -36.33 81.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 1.73 109.855 -179.686 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.36 -46.81 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.28 109.975 -179.679 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.81 -47.65 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.31 109.918 -179.668 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -59.16 -34.76 72.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 1.91 109.703 -179.772 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.643 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.88 -47.0 79.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.289 -0.882 . . . . 0.43 109.614 -179.758 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -61.25 -38.96 88.56 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.409 -0.807 . . . . 1.57 109.186 179.994 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.54 -40.6 75.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.399 -0.813 . . . . 1.44 109.521 179.647 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.78 68.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 0.64 109.662 -179.987 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.591 ' OE1' HD11 ' C' ' 350' ' ' LEU . 26.2 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.21 109.703 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 14.3 tttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.511 -0.551 . . . . 7.33 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 22.3 mttp 58.45 -168.1 0.14 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 7.21 109.438 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 1.6 ptpt 42.0 82.55 0.22 Allowed Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.336 -0.852 . . . . 6.47 109.689 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.33 -82.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.215 1.943 . . . . 4.53 110.383 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.8 128.32 33.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.133 -0.98 . . . . 4.35 109.445 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.53 129.19 34.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 2.48 109.346 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 160.81 51.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.575 -1.41 . . . . 0.98 109.575 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.6 130.96 49.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.34 -1.094 . . . . 1.7 109.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 18.8 m-85 -93.63 157.42 16.19 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.228 -0.92 . . . . 0.61 109.544 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 85.6 m-85 -139.11 -173.14 3.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.316 -0.865 . . . . 0.58 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.7 p -153.4 160.38 42.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.901 . . . . 0.42 109.427 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.05 133.53 18.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.36 109.289 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.65 130.05 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 1.37 109.649 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.3 mt -123.82 110.8 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.47 109.394 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.29 146.01 45.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 2.1 109.52 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.2 127.73 5.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.42 109.772 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.2 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.47 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 22.5 pt-20 -58.05 -43.95 87.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.301 -0.875 . . . . 2.22 109.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 0.5 OUTLIER -59.8 -40.51 88.59 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.357 -0.839 . . . . 2.77 109.651 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' C' ' 329' ' ' THR . 65.0 t80 -55.26 -53.69 52.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.43 109.865 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.69 -36.34 35.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.66 109.992 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.27 -50.78 68.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.95 . . . . 0.44 110.482 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -60.52 -52.25 65.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.29 109.341 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.89 -37.07 41.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.322 -0.861 . . . . 2.44 109.716 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.38 -50.79 72.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.18 -0.95 . . . . 1.74 109.846 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 344' ' ' LEU . 82.1 mt -60.88 -34.54 74.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.907 . . . . 0.3 108.927 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.88 -54.18 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.401 -0.812 . . . . 1.22 109.364 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.57 69.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.347 -0.846 . . . . 1.72 109.769 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.44 -61.04 2.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.27 110.046 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -39.05 85.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.289 -0.882 . . . . 0.29 109.485 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.03 -34.61 73.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 1.91 109.264 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.49 HD22 ' HD3' ' B' ' 351' ' ' LYS . 20.0 tp -64.91 -40.42 95.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.41 109.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.17 -52.54 61.96 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.689 0.756 . . . . 1.56 109.146 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.65 -30.66 63.59 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.662 -0.649 . . . . 1.43 109.841 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.85 91.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.66 109.866 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -81.96 -5.14 58.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.884 . . . . 1.18 109.803 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -17.83 61.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 1.23 109.673 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.97 -13.0 70.12 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.738 -1.345 . . . . 1.54 109.738 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.36 132.37 34.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.303 -1.116 . . . . 4.18 109.594 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.04 156.16 1.85 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.311 -0.868 . . . . 5.71 109.422 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.78 -1.95 7.7 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.355 2.036 . . . . 5.61 110.753 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.539 -1.425 . . . . 7.24 109.539 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.25 0.548 . . . . 7.34 109.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 22.5 mttp 58.55 -168.11 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 7.17 109.334 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 1.6 ptpt 41.97 82.67 0.22 Allowed Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.418 -0.801 . . . . 6.44 109.629 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.46 -82.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.346 2.03 . . . . 4.54 110.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.8 128.25 33.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.985 . . . . 4.32 109.464 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.46 129.19 34.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.17 -0.957 . . . . 2.47 109.378 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 160.68 50.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.574 -1.41 . . . . 0.95 109.574 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.61 131.01 49.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.233 -1.157 . . . . 1.61 109.452 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.56 157.52 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.57 109.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.5 m-85 -139.19 -173.32 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.203 -0.935 . . . . 0.53 109.414 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 39.3 p -153.25 160.42 42.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.38 109.513 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.4 tp -148.02 133.57 18.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.251 -0.905 . . . . 0.36 109.311 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.76 129.91 34.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 1.36 109.644 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.3 mt -123.71 111.06 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.49 109.411 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -73.51 145.93 45.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 2.1 109.417 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.31 127.75 5.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.745 -1.342 . . . . 0.44 109.745 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.2 ttt180 -72.55 -54.99 7.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.29 -1.124 . . . . 2.72 109.426 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 22.6 pt-20 -58.04 -43.79 87.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 2.21 109.564 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 336' ' ' GLU . 0.5 OUTLIER -59.96 -40.43 89.03 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.295 -0.878 . . . . 2.79 109.64 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.0 t80 -55.39 -53.63 53.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.842 . . . . 0.45 109.825 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -50.76 -36.29 35.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 1.68 109.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.25 -50.93 68.25 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.211 -0.93 . . . . 0.43 110.367 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.3 m-85 -60.42 -52.2 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.96 . . . . 0.28 109.411 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.99 -37.07 42.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 2.52 109.611 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.37 -50.85 72.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 1.75 109.814 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' B' ' 344' ' ' LEU . 81.3 mt -60.87 -34.5 74.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.31 108.934 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.3 t-20 -58.86 -54.24 49.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.454 -0.779 . . . . 1.21 109.42 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.391 -0.818 . . . . 1.69 109.821 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.44 -61.0 2.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.146 -0.971 . . . . 0.27 110.04 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.41 -38.95 85.66 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.357 -0.839 . . . . 0.3 109.441 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.12 -34.52 73.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 1.93 109.261 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.0 tp -64.91 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.4 109.096 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.13 -52.65 61.7 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.472 -0.767 . . . . 1.59 109.097 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.56 -30.73 63.47 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.76 -0.587 . . . . 1.43 109.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.79 91.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.65 109.872 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.04 -5.1 58.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.174 -0.954 . . . . 1.19 109.692 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -17.77 61.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.176 -0.952 . . . . 1.22 109.679 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.02 -12.9 70.16 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.779 -1.328 . . . . 1.53 109.779 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.39 132.38 34.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -1.174 . . . . 4.21 109.607 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.06 156.13 1.89 Allowed Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 5.68 109.402 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.8 -1.78 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.268 1.979 . . . . 5.57 110.777 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.473 -1.451 . . . . 7.2 109.473 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 14.3 tttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.458 -0.571 . . . . 8.96 109.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 22.5 mttp 58.5 -168.03 0.14 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.217 -0.927 . . . . 8.15 109.424 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 1.6 ptpt 41.94 82.58 0.22 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.479 -0.763 . . . . 7.15 109.707 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.45 -82.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.247 1.965 . . . . 4.35 110.334 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.71 128.29 33.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.207 -0.933 . . . . 4.63 109.452 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.54 129.21 34.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 2.85 109.385 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 160.83 51.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.56 -1.416 . . . . 1.12 109.56 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.65 131.02 49.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -1.088 . . . . 2.11 109.433 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 18.7 m-85 -93.64 157.56 16.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.64 109.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 85.8 m-85 -139.24 -173.33 3.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.49 109.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 39.7 p -153.19 160.51 42.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.98 . . . . 0.47 109.461 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -148.12 133.48 18.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.42 109.37 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.69 129.97 34.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.303 -0.873 . . . . 1.81 109.659 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' C' ' 341' ' ' PHE . 42.3 mt -123.77 110.9 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.42 109.445 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.33 145.96 45.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 2.35 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.67 5.49 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.4 ttt180 -72.41 -54.99 7.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -1.134 . . . . 2.59 109.527 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 22.5 pt-20 -58.11 -43.93 87.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 2.54 109.517 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' C' ' 336' ' ' GLU . 0.5 OUTLIER -59.87 -40.37 88.42 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.212 -0.93 . . . . 3.39 109.621 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.0 t80 -55.4 -53.69 53.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.47 109.815 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.6 -36.29 34.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 1.66 110.071 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.38 -50.91 68.05 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.176 -0.952 . . . . 0.61 110.381 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -60.44 -52.31 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.33 109.288 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -50.89 -36.97 40.93 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.438 -0.789 . . . . 3.28 109.783 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.41 -50.76 72.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -1.0 . . . . 1.78 109.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' C' ' 344' ' ' LEU . 81.5 mt -60.95 -34.48 74.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.38 108.937 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.84 -54.16 50.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 1.2 109.536 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.79 -28.47 69.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.436 -0.79 . . . . 2.12 109.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.57 -61.01 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.26 109.934 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.48 -38.89 85.73 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.29 -0.881 . . . . 0.4 109.48 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.97 -34.59 73.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 2.09 109.288 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' C' ' 350' ' ' LEU . 20.0 tp -64.89 -40.45 95.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.75 109.076 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -52.54 61.76 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.641 0.734 . . . . 2.19 109.087 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.59 -30.7 63.5 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.664 -0.647 . . . . 1.34 109.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.78 91.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.72 109.928 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.06 -4.98 58.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.115 -0.991 . . . . 1.8 109.735 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.46 -17.86 61.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 1.39 109.648 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.99 -13.01 70.05 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.713 -1.355 . . . . 1.66 109.713 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -88.34 132.38 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -1.198 . . . . 4.45 109.633 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 156.16 1.92 Allowed Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.204 -0.935 . . . . 6.19 109.453 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.86 -1.73 7.4 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.346 2.031 . . . . 5.58 110.715 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.888 -1.507 . . . . 6.9 109.554 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 14.2 tttt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.212 0.53 . . . . 7.36 109.615 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 22.4 mttp 58.34 -168.05 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.272 -0.893 . . . . 7.15 109.47 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 1.6 ptpt 42.02 82.57 0.22 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.497 -0.752 . . . . 6.5 109.722 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.43 -82.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.291 1.994 . . . . 4.5 110.302 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.78 128.33 33.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 4.32 109.394 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.53 129.08 34.14 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 2.46 109.446 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.31 160.75 50.88 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.623 -1.391 . . . . 0.97 109.623 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.55 130.88 48.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.256 -1.143 . . . . 1.67 109.462 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 18.6 m-85 -93.57 157.46 16.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 0.61 109.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.0 m-85 -139.12 -173.31 3.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.874 . . . . 0.56 109.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.9 p -153.21 160.38 42.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.215 -0.928 . . . . 0.43 109.535 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.3 tp -147.98 133.6 18.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 0.35 109.377 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.89 . . . . 1.37 109.703 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' D' ' 341' ' ' PHE . 41.6 mt -123.65 110.84 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 0.48 109.46 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.32 145.87 45.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 2.08 109.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.76 5.52 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.3 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -1.092 . . . . 2.64 109.497 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 22.5 pt-20 -58.08 -43.93 87.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.38 -0.825 . . . . 2.22 109.414 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' D' ' 336' ' ' GLU . 0.5 OUTLIER -59.84 -40.39 88.36 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.286 -0.884 . . . . 2.74 109.673 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.4 -53.73 52.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.297 -0.877 . . . . 0.43 109.834 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.54 -36.31 33.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.69 110.133 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -63.39 -50.8 68.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.1 -1.0 . . . . 0.43 110.444 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.49 -52.2 66.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.988 -1.07 . . . . 0.27 109.314 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.06 -36.99 42.89 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.406 -0.808 . . . . 2.45 109.67 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.31 -50.78 72.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 1.75 109.797 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 344' ' ' LEU . 81.2 mt -60.99 -34.53 74.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.31 108.876 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.477 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.3 t-20 -58.9 -54.18 50.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.414 -0.804 . . . . 1.22 109.373 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.84 -28.52 69.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 1.73 109.78 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -61.08 2.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.28 109.985 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.2 mt -60.34 -38.93 85.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.292 -0.88 . . . . 0.31 109.5 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.07 -34.53 73.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.277 -0.89 . . . . 1.91 109.28 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.436 ' HA ' HD12 ' D' ' 350' ' ' LEU . 20.0 tp -64.92 -40.49 95.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.781 . . . . 0.43 109.06 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.15 -52.58 61.9 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.501 -0.749 . . . . 1.57 109.161 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.53 -30.7 63.37 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.706 -0.622 . . . . 1.44 109.946 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.85 91.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.64 109.901 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -82.09 -4.98 58.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.964 . . . . 1.21 109.698 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.77 61.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 1.22 109.634 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.98 -13.05 69.98 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.25 132.43 34.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -1.157 . . . . 4.18 109.745 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.06 156.23 1.85 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 5.67 109.412 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.91 -1.74 7.46 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.287 1.991 . . . . 5.65 110.767 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 118.007 -1.44 . . . . 7.27 109.624 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.462 -0.57 . . . . 7.33 109.462 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.26 -89.95 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 7.21 109.351 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 319' ' ' LYS . 1.6 tttt 60.76 87.86 0.13 Allowed Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 6.47 109.595 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.04 -151.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.255 1.97 . . . . 4.53 110.183 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.5 137.96 37.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 4.35 109.507 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 0.6 OUTLIER -79.69 -164.43 0.65 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.311 -0.868 . . . . 2.48 109.529 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 159.44 52.31 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.61 -1.396 . . . . 0.98 109.61 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.42 143.06 46.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.284 -1.127 . . . . 1.7 109.454 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.76 152.15 19.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.61 109.405 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.1 m-85 -137.73 -168.29 2.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.58 109.486 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 328' ' ' PHE . 10.9 p -153.47 155.18 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.42 109.252 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.81 133.01 16.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.091 -1.005 . . . . 0.36 109.754 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 7.2 tt0 -85.71 133.02 34.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.883 . . . . 1.37 109.154 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 341' ' ' PHE . 38.9 mt -123.7 114.0 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.47 109.747 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.29 44.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.429 -0.794 . . . . 2.1 109.442 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 98.17 134.05 8.21 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.4 ttm180 -77.02 -60.79 2.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -1.102 . . . . 2.68 109.416 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.97 -38.55 76.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 2.22 109.22 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.86 -44.64 94.03 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.309 -0.869 . . . . 2.77 109.413 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.68 -53.58 54.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.43 109.724 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -50.86 -37.33 42.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.186 -0.946 . . . . 1.66 110.074 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.61 -50.9 67.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.135 -0.978 . . . . 0.44 110.599 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.6 m-85 -60.23 -51.36 69.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.29 109.388 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -50.65 -42.08 56.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.435 -0.79 . . . . 2.44 109.795 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.31 -42.23 95.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.174 -0.954 . . . . 1.74 109.919 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' B' ' 344' ' ' LEU . 49.5 mt -62.2 -45.02 95.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.19 -0.944 . . . . 0.3 109.444 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.9 -47.81 81.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.287 -0.883 . . . . 1.22 109.551 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.16 -32.87 73.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 1.72 109.582 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -52.64 64.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.27 109.745 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.1 -40.29 93.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.359 -0.838 . . . . 0.29 109.477 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.95 -38.22 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 1.91 109.584 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.7 OUTLIER -64.6 -41.72 96.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 0.41 109.231 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.728 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.29 -45.46 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.549 -0.908 . . . . 1.56 108.549 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.94 -29.75 60.63 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.244 -0.65 . . . . 1.43 109.244 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.83 95.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.66 109.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -82.93 -11.43 58.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 1.18 109.054 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.07 -3.98 29.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.368 -0.833 . . . . 1.23 109.493 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 38.82 2.98 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.922 -1.271 . . . . 1.54 109.922 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.94 127.01 35.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.144 -1.209 . . . . 4.18 109.17 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.39 159.94 0.6 Allowed Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.905 . . . . 5.71 109.518 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 127.17 21.61 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.295 1.996 . . . . 5.61 110.201 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.467 -1.453 . . . . 7.24 109.467 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' B' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.309 0.576 . . . . 7.34 109.514 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.16 -89.88 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.169 -0.957 . . . . 7.17 109.412 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 319' ' ' LYS . 1.6 tttt 60.8 87.83 0.13 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.135 -0.978 . . . . 6.44 109.585 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -59.06 -151.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.182 1.921 . . . . 4.54 110.216 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.53 138.02 37.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.164 -0.96 . . . . 4.32 109.501 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 0.7 OUTLIER -79.66 -164.36 0.64 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.358 -0.839 . . . . 2.47 109.568 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.64 159.49 52.21 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.562 -1.415 . . . . 0.95 109.562 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.51 143.14 46.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.178 -1.189 . . . . 1.61 109.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -93.79 152.19 19.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.57 109.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.7 m-85 -137.78 -168.38 2.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.953 . . . . 0.53 109.632 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 328' ' ' PHE . 11.1 p -153.38 155.28 36.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.332 -0.855 . . . . 0.38 109.249 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.94 132.94 16.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.159 -0.963 . . . . 0.36 109.731 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 7.3 tt0 -85.65 133.09 34.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -0.937 . . . . 1.36 109.195 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.74 114.04 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.164 -0.96 . . . . 0.49 109.672 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 4.1 ttt180 -73.69 146.32 44.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.417 -0.802 . . . . 2.1 109.354 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 98.22 133.92 8.16 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.716 -1.353 . . . . 0.44 109.716 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.4 ttm180 -76.91 -60.93 2.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -1.132 . . . . 2.72 109.421 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.94 -38.29 75.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.391 -0.818 . . . . 2.21 109.281 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.99 -44.71 94.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.254 -0.904 . . . . 2.79 109.378 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.62 -53.69 53.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.428 -0.795 . . . . 0.45 109.683 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -50.77 -37.34 41.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.809 . . . . 1.68 110.031 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.75 -50.78 67.71 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.098 -1.001 . . . . 0.43 110.453 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.37 -51.33 69.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.197 -0.939 . . . . 0.28 109.313 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.67 -42.09 56.27 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.436 -0.79 . . . . 2.52 109.77 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.21 -42.31 94.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.226 -0.922 . . . . 1.75 109.931 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 344' ' ' LEU . 49.4 mt -62.18 -44.99 95.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.31 109.479 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.95 -47.74 82.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.436 -0.79 . . . . 1.21 109.539 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.81 73.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.391 -0.818 . . . . 1.69 109.572 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -52.58 64.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.27 109.822 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.11 -40.35 93.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.239 -0.913 . . . . 0.3 109.456 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.88 -38.23 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.883 . . . . 1.93 109.53 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -64.72 -41.69 95.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.375 -0.828 . . . . 0.4 109.199 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.592 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -60.31 -45.44 93.38 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.577 -0.897 . . . . 1.59 108.577 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -55.97 -29.77 60.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.165 -0.68 . . . . 1.43 109.165 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.81 95.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.485 -0.76 . . . . 0.65 109.143 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -82.89 -11.39 58.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.19 109.076 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.01 -4.12 30.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.924 . . . . 1.22 109.526 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 38.7 2.98 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.952 -1.259 . . . . 1.53 109.952 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.89 127.0 35.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.091 -1.241 . . . . 4.21 109.203 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 159.91 0.61 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.158 -0.964 . . . . 5.68 109.518 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.79 127.33 22.17 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.175 1.917 . . . . 5.57 110.205 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 117.986 -1.452 . . . . 7.2 109.512 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' C' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.292 0.568 . . . . 8.96 109.474 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.17 -89.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.246 -0.909 . . . . 8.15 109.385 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' C' ' 319' ' ' LYS . 1.6 tttt 60.76 87.83 0.13 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.163 -0.96 . . . . 7.15 109.58 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -59.11 -151.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.108 1.872 . . . . 4.35 110.24 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.51 138.04 37.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.189 -0.944 . . . . 4.63 109.476 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -79.78 -164.42 0.66 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.308 -0.87 . . . . 2.85 109.516 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 159.39 52.18 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.597 -1.401 . . . . 1.12 109.597 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.27 143.03 46.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.186 -1.185 . . . . 2.11 109.46 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -93.77 152.22 19.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.214 -0.929 . . . . 0.64 109.425 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -137.74 -168.43 2.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.49 109.589 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.416 HG23 ' O ' ' C' ' 328' ' ' PHE . 11.0 p -153.36 155.13 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 0.47 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.85 132.99 16.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.42 109.684 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 7.2 tt0 -85.76 133.05 34.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 1.81 109.188 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' C' ' 341' ' ' PHE . 38.6 mt -123.65 113.93 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.112 -0.992 . . . . 0.42 109.724 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.32 44.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.381 -0.825 . . . . 2.35 109.45 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 98.22 133.97 8.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.688 -1.365 . . . . 0.41 109.688 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.488 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttm180 -77.05 -60.72 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.59 109.435 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.99 -38.42 76.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 2.54 109.243 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.91 -44.72 94.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.328 -0.857 . . . . 3.39 109.43 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -55.72 -53.53 55.51 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.373 -0.829 . . . . 0.47 109.731 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.78 -37.42 42.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 1.66 110.051 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.64 -50.79 67.91 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.192 -0.943 . . . . 0.61 110.604 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.4 m-85 -60.28 -51.45 69.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.123 -0.985 . . . . 0.33 109.298 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.63 -42.1 55.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.501 -0.749 . . . . 3.28 109.814 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.18 -42.38 94.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 109.936 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' D' ' 344' ' ' LEU . 49.5 mt -62.11 -44.98 95.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.38 109.537 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -57.86 -47.81 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.269 -0.895 . . . . 1.2 109.587 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.78 73.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.426 -0.796 . . . . 2.12 109.565 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.76 -52.54 64.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 0.26 109.764 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.04 -40.39 93.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.4 109.494 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.85 -38.19 81.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 2.09 109.605 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.671 HD12 ' HD3' ' D' ' 351' ' ' LYS . 0.7 OUTLIER -64.75 -41.61 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.75 109.296 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.35 -45.22 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.65 -0.87 . . . . 2.19 108.65 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -56.07 -29.82 61.09 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.143 -0.688 . . . . 1.34 109.143 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.7 94.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.378 -0.826 . . . . 0.72 109.181 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -82.98 -11.35 58.21 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.94 . . . . 1.8 109.088 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.11 -4.03 30.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.39 109.567 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 38.94 2.98 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.929 -1.268 . . . . 1.66 109.929 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -87.01 127.11 35.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.082 -1.246 . . . . 4.45 109.157 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.51 159.91 0.63 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 6.19 109.486 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.66 127.2 21.87 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.269 1.979 . . . . 5.58 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.985 -1.453 . . . . 6.9 109.578 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' D' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.389 -0.597 . . . . 7.36 109.389 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.24 -89.93 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 7.15 109.446 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' D' ' 319' ' ' LYS . 1.6 tttt 60.79 87.9 0.13 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 6.5 109.507 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.08 -151.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.193 1.929 . . . . 4.5 110.203 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.56 138.02 37.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 4.32 109.437 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 0.7 OUTLIER -79.76 -164.39 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.277 -0.89 . . . . 2.46 109.531 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 159.45 52.11 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.59 -1.404 . . . . 0.97 109.59 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.4 143.13 46.3 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -1.167 . . . . 1.67 109.418 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.86 152.11 19.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.21 -0.931 . . . . 0.61 109.449 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.5 m-85 -137.59 -168.3 2.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.909 . . . . 0.56 109.607 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.41 HG23 ' O ' ' D' ' 328' ' ' PHE . 11.0 p -153.44 155.21 35.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.43 109.171 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 20.5 tp -149.94 133.01 16.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.35 109.698 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 7.2 tt0 -85.74 132.97 34.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 1.37 109.166 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' D' ' 341' ' ' PHE . 38.5 mt -123.59 113.93 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.085 -1.01 . . . . 0.48 109.769 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 4.1 ttt180 -73.57 146.41 44.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 2.08 109.402 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 98.11 133.92 8.14 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.4 ttm180 -76.96 -60.93 2.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -1.167 . . . . 2.64 109.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 2.22 109.235 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.87 -44.64 94.05 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.335 -0.853 . . . . 2.74 109.43 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -55.75 -53.59 54.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.444 -0.785 . . . . 0.43 109.673 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.87 -37.24 42.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.151 -0.968 . . . . 1.69 110.084 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.77 -50.83 67.48 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.196 -0.94 . . . . 0.43 110.479 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.409 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.2 m-85 -60.36 -51.31 70.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.27 109.339 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -50.6 -42.13 55.54 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.487 -0.758 . . . . 2.45 109.714 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.32 -42.31 95.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.198 -0.939 . . . . 1.75 109.836 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -62.15 -44.94 95.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.31 109.5 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.94 -47.89 81.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 1.22 109.496 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.06 -32.91 73.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 1.73 109.577 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -52.54 64.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.28 109.718 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.1 -40.45 93.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.31 109.458 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -59.73 -38.27 81.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.91 109.587 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.66 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -64.74 -41.66 95.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.336 -0.853 . . . . 0.43 109.21 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.671 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -60.3 -45.35 93.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.616 -0.883 . . . . 1.57 108.616 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -56.0 -29.8 60.86 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.248 -0.649 . . . . 1.44 109.248 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.83 95.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.385 -0.822 . . . . 0.64 109.129 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -82.91 -11.39 58.22 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.359 -0.838 . . . . 1.21 109.067 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.12 -3.93 29.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 1.22 109.51 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 38.78 2.99 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.897 -1.281 . . . . 1.5 109.897 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.94 127.06 35.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -1.179 . . . . 4.18 109.141 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 159.87 0.63 Allowed Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 5.67 109.499 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.66 127.27 22.1 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.217 1.944 . . . . 5.65 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.952 -1.471 . . . . 7.27 109.507 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 7.33 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 319' ' ' LYS . 5.4 tttt 60.53 -87.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 7.21 109.632 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 323' ' ' LEU . 9.6 mttt 65.5 80.69 0.23 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 6.47 109.544 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.19 85.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.249 1.966 . . . . 4.53 110.082 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 321' ' ' LYS . 8.8 mt -81.58 7.04 13.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.304 -0.873 . . . . 4.35 109.747 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 11.4 m-20 -79.07 -174.13 3.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.186 -0.947 . . . . 2.48 109.606 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 166.38 46.34 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.638 -1.385 . . . . 0.98 109.638 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.71 147.11 34.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -1.156 . . . . 1.7 109.625 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 10.5 m-85 -94.16 153.06 18.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.61 109.442 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.22 -167.0 2.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.58 109.742 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 3.6 p -153.23 159.65 42.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.137 -0.977 . . . . 0.42 109.616 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.0 tp -149.82 134.89 17.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.36 109.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.451 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 12.7 tt0 -86.03 132.75 33.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.314 -0.867 . . . . 1.37 109.552 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.3 mt -124.01 118.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.47 109.524 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.425 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.5 OUTLIER -73.63 148.16 43.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.96 . . . . 2.1 109.593 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.36 140.39 10.87 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.936 -1.266 . . . . 0.42 109.936 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.99 1.97 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 2.68 109.382 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -42.24 86.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.184 -0.947 . . . . 2.22 109.413 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.683 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.65 -40.67 92.88 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.246 -0.909 . . . . 2.77 109.453 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -55.14 -56.49 19.34 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.315 -0.866 . . . . 0.43 109.652 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -50.78 -32.06 18.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.66 109.833 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.08 -50.05 72.08 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.44 109.932 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.5 m-85 -60.91 -47.57 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.27 -0.894 . . . . 0.29 109.119 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.12 -42.86 60.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -0.837 . . . . 2.44 109.391 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -41.0 93.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 1.74 109.842 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' B' ' 344' ' ' LEU . 30.5 mt -62.0 -45.51 93.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.127 -0.983 . . . . 0.3 109.501 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' C' ' 330' ' ' LEU . 52.5 t30 -57.98 -49.23 77.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.289 -0.882 . . . . 1.22 109.862 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.41 -34.98 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 1.72 109.779 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.02 -50.95 72.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.27 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.708 HD13 ' NH1' ' C' ' 337' ' ' ARG . 63.7 mt -61.76 -36.94 82.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.294 -0.879 . . . . 0.29 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.45 -39.78 88.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 1.91 109.771 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -62.8 -47.28 84.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.41 109.945 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.95 -40.9 95.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.212 -0.93 . . . . 1.56 109.196 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.41 -32.56 64.96 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.573 -0.704 . . . . 1.43 109.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.23 83.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.66 109.576 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.62 -5.91 58.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.278 -0.889 . . . . 1.18 109.592 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.21 -18.33 61.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 1.23 109.614 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 -0.46 87.73 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.618 -1.393 . . . . 1.54 109.618 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.61 -1.2 57.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.208 -1.172 . . . . 4.18 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 3.0 mt-10 -52.24 -57.32 15.75 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 120.962 -1.086 . . . . 5.71 109.603 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 1.0 OUTLIER -62.98 -80.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 121.936 1.757 . . . . 5.61 110.325 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.454 -1.458 . . . . 7.24 109.454 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' B' ' 320' ' ' LYS . 24.3 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.243 0.545 . . . . 7.34 109.576 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 319' ' ' LYS . 5.4 tttt 60.41 -87.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.317 -0.865 . . . . 7.17 109.709 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' B' ' 323' ' ' LEU . 9.7 mttt 65.51 80.68 0.23 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 6.44 109.537 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.27 85.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.171 1.914 . . . . 4.54 110.071 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 321' ' ' LYS . 8.8 mt -81.56 7.12 12.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 4.32 109.825 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.414 ' HB3' ' NH1' ' D' ' 333' ' ' ARG . 11.4 m-20 -79.22 -174.33 4.08 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 2.47 109.57 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 166.28 45.16 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.616 -1.394 . . . . 0.95 109.616 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.57 147.1 33.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.128 -1.219 . . . . 1.61 109.641 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.4 m-85 -94.22 153.09 18.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.57 109.422 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.6 m-85 -139.19 -167.13 2.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.095 -1.003 . . . . 0.53 109.755 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.5 p -153.15 159.73 42.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.38 109.603 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.3 tp -149.94 134.85 17.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.306 -0.871 . . . . 0.36 109.431 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -86.05 132.83 33.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.36 109.594 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.4 mt -124.09 119.02 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.293 -0.879 . . . . 0.49 109.456 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' D' ' 324' ' ' ASP . 0.5 OUTLIER -73.65 148.28 42.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 2.1 109.659 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.33 140.48 10.93 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.896 -1.282 . . . . 0.44 109.896 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.96 1.98 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -1.12 . . . . 2.72 109.378 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -42.29 87.69 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.229 -0.92 . . . . 2.21 109.413 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.752 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -60.5 -40.64 92.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.29 -0.881 . . . . 2.79 109.48 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.2 t80 -55.37 -56.17 23.15 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.396 -0.815 . . . . 0.45 109.697 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.97 -31.89 19.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 1.68 109.88 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.15 -50.02 72.04 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.189 -0.944 . . . . 0.43 109.95 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.4 m-85 -60.9 -47.5 86.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.28 109.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -51.22 -42.91 61.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 2.52 109.417 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -41.08 93.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 1.75 109.83 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 344' ' ' LEU . 30.5 mt -61.99 -45.43 93.65 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.31 109.486 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.17 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.884 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.3 -35.09 76.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.282 -0.886 . . . . 1.69 109.78 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -50.78 72.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.27 109.505 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.787 HD13 ' NH1' ' D' ' 337' ' ' ARG . 64.7 mt -61.99 -36.8 82.59 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.374 -0.829 . . . . 0.3 109.199 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.62 -39.63 88.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 1.93 109.823 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' B' ' 350' ' ' LEU . 12.7 tp -62.86 -47.14 84.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.4 109.952 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -61.04 -40.85 95.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.23 -0.919 . . . . 1.59 109.189 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.36 -32.66 64.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.403 -0.811 . . . . 1.43 109.352 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.29 84.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 0.65 109.613 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.857 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.64 -5.89 58.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 1.19 109.572 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -18.15 61.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.22 109.58 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 -0.4 87.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.624 -1.391 . . . . 1.53 109.624 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -87.6 -1.2 57.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -1.144 . . . . 4.21 110.284 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.571 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 3.1 mt-10 -52.06 -57.43 15.12 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.964 -1.085 . . . . 5.68 109.6 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.571 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 1.0 OUTLIER -63.03 -81.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.067 1.845 . . . . 5.57 110.109 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.486 -1.446 . . . . 7.2 109.486 -179.751 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' C' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.573 -0.528 . . . . 8.96 109.573 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' C' ' 319' ' ' LYS . 5.4 tttt 60.5 -87.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 8.15 109.646 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' C' ' 323' ' ' LEU . 9.7 mttt 65.6 80.67 0.23 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 7.15 109.549 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.19 85.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.213 1.942 . . . . 4.35 110.078 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' C' ' 321' ' ' LYS . 8.7 mt -81.56 7.16 12.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.242 -0.911 . . . . 4.63 109.858 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 12.0 m-20 -79.18 -174.02 3.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 2.85 109.598 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 166.2 46.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.627 -1.389 . . . . 1.12 109.627 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.57 147.06 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -1.151 . . . . 2.11 109.683 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 10.4 m-85 -94.19 153.19 18.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 0.64 109.402 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.2 m-85 -139.28 -166.96 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.49 109.665 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.7 p -153.2 159.65 42.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.47 109.58 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 345' ' ' ASN . 19.9 tp -149.83 134.92 17.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.42 109.508 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 12.7 tt0 -86.12 132.77 33.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.25 -0.907 . . . . 1.81 109.584 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.0 mt -124.02 119.03 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.926 . . . . 0.42 109.51 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.433 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.5 OUTLIER -73.72 148.05 43.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.307 -0.871 . . . . 2.35 109.591 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.44 140.57 11.02 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.863 -1.295 . . . . 0.41 109.863 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.6 ttt180 -83.29 -61.06 1.95 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.244 -1.151 . . . . 2.59 109.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.25 87.35 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.256 -0.903 . . . . 2.54 109.481 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.708 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -60.49 -40.5 91.55 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.158 -0.964 . . . . 3.39 109.599 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.3 t80 -55.38 -56.39 20.67 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.418 -0.801 . . . . 0.47 109.644 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -50.76 -32.01 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 1.66 109.802 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.08 -50.09 71.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.101 -0.999 . . . . 0.61 109.943 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -60.97 -47.6 85.67 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.207 -0.933 . . . . 0.33 109.048 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -51.13 -42.87 60.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 3.28 109.489 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -41.0 93.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.338 -0.851 . . . . 1.78 109.805 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' D' ' 344' ' ' LEU . 31.0 mt -62.11 -45.5 93.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.38 109.522 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.482 ' HB2' HD21 ' A' ' 330' ' ' LEU . 52.4 t30 -58.11 -49.04 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.2 109.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 4.7 mt-10 -61.42 -35.16 76.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 2.12 109.713 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -50.82 72.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.26 109.532 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.79 -36.94 82.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.428 -0.795 . . . . 0.4 109.257 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.54 -39.6 88.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.366 -0.834 . . . . 2.09 109.818 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' C' ' 350' ' ' LEU . 12.6 tp -62.89 -47.37 83.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.75 109.911 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.95 -40.82 94.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 2.19 109.152 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.44 -32.56 65.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.449 -0.782 . . . . 1.34 109.352 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.34 84.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.309 -0.869 . . . . 0.72 109.614 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.659 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -81.59 -5.83 58.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.8 109.578 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.26 61.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.923 . . . . 1.39 109.603 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.7 -0.46 87.79 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.716 -1.353 . . . . 1.66 109.716 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.59 -1.29 57.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.299 -1.118 . . . . 4.45 110.285 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.569 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 3.1 mt-10 -52.04 -57.4 15.18 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 120.892 -1.13 . . . . 6.19 109.666 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 0.9 OUTLIER -63.01 -81.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 121.996 1.798 . . . . 5.58 110.302 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.876 -1.513 . . . . 6.9 109.573 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' D' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.212 0.53 . . . . 7.36 109.634 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' D' ' 319' ' ' LYS . 5.4 tttt 60.48 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.34 -0.85 . . . . 7.15 109.675 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' D' ' 323' ' ' LEU . 9.6 mttt 65.5 80.73 0.22 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.94 . . . . 6.5 109.549 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.28 85.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.215 1.943 . . . . 4.5 110.177 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' D' ' 321' ' ' LYS . 8.8 mt -81.46 7.1 12.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.259 -0.9 . . . . 4.32 109.785 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.441 ' HB3' ' NH1' ' B' ' 333' ' ' ARG . 11.8 m-20 -79.12 -174.01 3.89 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.311 -0.868 . . . . 2.46 109.619 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 166.3 46.57 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.646 -1.381 . . . . 0.97 109.646 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.65 147.07 33.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -1.159 . . . . 1.67 109.638 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.7 m-85 -94.31 153.23 18.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.257 -0.902 . . . . 0.61 109.329 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.4 m-85 -139.35 -167.07 2.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.56 109.629 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.6 p -153.17 159.75 42.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.43 109.588 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.1 tp -149.9 134.76 17.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -0.959 . . . . 0.35 109.463 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 12.6 tt0 -86.0 132.84 33.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.205 -0.934 . . . . 1.37 109.626 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.7 mt -124.14 119.05 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.161 -0.962 . . . . 0.48 109.412 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' B' ' 324' ' ' ASP . 0.5 OUTLIER -73.7 148.22 42.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 2.08 109.53 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.29 140.52 10.94 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.4 ttt180 -83.25 -60.86 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 2.64 109.499 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.38 88.1 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.323 -0.861 . . . . 2.22 109.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -60.45 -40.63 91.84 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.29 -0.881 . . . . 2.74 109.51 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.1 t80 -55.31 -56.31 21.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.489 -0.757 . . . . 0.43 109.607 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.91 -31.94 19.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.69 109.778 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.13 -49.97 72.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -0.953 . . . . 0.43 109.966 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.08 -47.66 85.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.224 -0.923 . . . . 0.27 109.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -42.94 60.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.45 109.416 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.99 93.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.289 -0.882 . . . . 1.75 109.88 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' C' ' 344' ' ' LEU . 31.1 mt -62.07 -45.47 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.31 109.518 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.446 ' HB2' HD21 ' B' ' 330' ' ' LEU . 52.2 t30 -58.04 -49.17 77.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.38 -0.825 . . . . 1.22 109.831 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.33 -35.17 76.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.73 109.74 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.88 -51.06 71.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.255 -0.903 . . . . 0.28 109.536 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' NH1' ' B' ' 337' ' ' ARG . 63.7 mt -61.79 -36.76 82.03 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.295 -0.878 . . . . 0.31 109.333 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.63 -39.69 89.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.91 109.753 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.659 HD21 ' OE1' ' C' ' 354' ' ' GLN . 12.6 tp -62.73 -47.31 84.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.43 109.94 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 9.5 ttmt -60.89 -40.92 94.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.398 -0.814 . . . . 1.57 109.265 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.42 -32.54 64.95 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.479 -0.763 . . . . 1.44 109.318 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.44 84.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.377 -0.827 . . . . 0.64 109.533 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.49 -5.99 58.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.257 -0.902 . . . . 1.21 109.611 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.25 61.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.159 -0.963 . . . . 1.22 109.634 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -0.56 87.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.696 -1.362 . . . . 1.5 109.696 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.61 -1.11 57.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -1.209 . . . . 4.18 110.263 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.579 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 3.1 mt-10 -52.16 -57.42 15.27 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.978 -1.076 . . . . 5.67 109.625 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 0.9 OUTLIER -62.96 -81.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.969 1.779 . . . . 5.65 110.353 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 CA-C-O 117.947 -1.474 . . . . 7.27 109.539 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.294 0.569 . . . . 7.33 109.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 321' ' ' LYS . 9.5 mttt 61.57 16.23 7.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 7.21 109.39 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 320' ' ' LYS . 63.4 mmtt 61.06 143.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 6.47 109.387 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -82.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.047 1.832 . . . . 4.53 110.1 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 94.2 mt -83.03 109.32 17.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.174 -0.954 . . . . 4.35 109.525 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.99 -152.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 2.48 109.222 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.0 163.89 47.3 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.207 -1.557 . . . . 0.98 109.207 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -58.29 131.43 50.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.247 . . . . 1.7 109.492 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 18.0 m-85 -93.9 156.63 16.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.61 109.445 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.2 m-85 -139.11 -168.99 2.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.894 . . . . 0.58 109.425 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 11.2 p -152.78 161.09 43.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 0.42 109.573 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.2 tp -147.87 130.92 16.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.36 109.423 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.74 130.99 34.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 1.37 109.715 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.92 121.09 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.154 -0.966 . . . . 0.47 109.472 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -73.75 147.92 43.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 2.1 109.506 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 139.2 7.64 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.791 -1.324 . . . . 0.42 109.791 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 22.8 ttp180 -82.78 -55.12 4.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.372 -1.075 . . . . 2.68 109.519 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -58.41 -44.62 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.39 -0.819 . . . . 2.22 109.477 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -41.94 94.76 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.144 -0.972 . . . . 2.77 109.262 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 52.8 t80 -55.93 -52.12 65.23 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.46 -0.775 . . . . 0.43 109.78 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.46 -36.13 32.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.418 -0.801 . . . . 1.66 110.086 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -62.82 -48.44 79.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.117 -0.989 . . . . 0.44 110.011 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 24.3 m-85 -60.96 -49.06 78.99 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.283 -0.886 . . . . 0.29 109.332 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.13 -41.99 60.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.44 -0.788 . . . . 2.44 109.599 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.17 -41.65 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 1.74 109.847 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 344' ' ' LEU . 28.4 mt -62.08 -45.87 91.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.3 109.524 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.4 t30 -57.59 -45.24 85.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.22 109.519 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.06 -37.31 84.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 1.72 109.777 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -50.67 72.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.3 -0.875 . . . . 0.27 109.918 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.689 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.2 mt -61.11 -40.45 93.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 0.29 109.696 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.94 -39.02 87.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 1.91 109.99 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 12.6 tp -64.03 -44.53 92.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.41 109.881 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 26.5 ttmt -62.14 -43.09 99.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 1.56 109.341 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.92 -33.35 66.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.505 -0.747 . . . . 1.43 109.803 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.59 79.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.66 109.772 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.458 ' OE1' HD21 ' B' ' 350' ' ' LEU . 16.6 mt-30 -81.53 -7.33 59.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.183 -0.948 . . . . 1.18 109.516 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.81 -90.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.329 -0.857 . . . . 1.23 109.513 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 109.9 3.36 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.719 -1.352 . . . . 1.54 109.719 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.1 135.69 33.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.147 -1.208 . . . . 4.18 109.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 108.56 0.98 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.224 -0.923 . . . . 5.71 109.447 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.73 -172.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.061 1.84 . . . . 5.61 110.244 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.945 -1.475 . . . . 7.24 109.483 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.317 0.579 . . . . 7.34 109.442 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' B' ' 321' ' ' LYS . 9.6 mttt 61.45 16.23 7.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.15 -0.969 . . . . 7.17 109.463 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' B' ' 320' ' ' LYS . 63.5 mmtt 61.14 142.98 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 6.44 109.453 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -82.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.007 1.805 . . . . 4.54 110.188 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 94.4 mt -82.93 109.31 16.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 4.32 109.621 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.498 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 2.1 m-20 -81.02 -153.02 0.09 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.285 -0.885 . . . . 2.47 109.134 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -67.78 163.84 46.7 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.226 -1.55 . . . . 0.95 109.226 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.23 131.39 50.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.158 -1.201 . . . . 1.61 109.464 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 17.8 m-85 -93.91 156.56 16.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.57 109.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 74.1 m-85 -139.1 -168.96 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.53 109.519 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 11.3 p -152.72 161.06 43.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.141 -0.975 . . . . 0.38 109.642 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -147.84 130.82 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.927 . . . . 0.36 109.385 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 45.6 tt0 -86.68 130.95 34.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 1.36 109.756 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' B' ' 341' ' ' PHE . 44.6 mt -123.84 121.02 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.939 . . . . 0.49 109.552 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' D' ' 324' ' ' ASP . 54.7 ttt180 -73.68 147.86 43.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 2.1 109.609 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.31 139.23 7.71 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.799 -1.32 . . . . 0.44 109.799 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 22.9 ttp180 -82.84 -55.18 4.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -1.157 . . . . 2.72 109.462 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.39 -44.53 89.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.21 109.511 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.38 -42.01 94.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.252 -0.905 . . . . 2.79 109.345 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.5 t80 -55.74 -52.27 64.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -0.81 . . . . 0.45 109.782 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.5 -36.14 32.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.68 110.07 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.79 -48.29 79.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.134 -0.979 . . . . 0.43 110.095 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.629 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 24.1 m-85 -61.02 -49.3 77.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.945 . . . . 0.28 109.223 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -50.9 -42.07 58.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 2.52 109.627 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -0.893 . . . . 1.75 109.824 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' A' ' 344' ' ' LEU . 28.2 mt -62.11 -45.91 91.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.31 109.495 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.6 t30 -57.62 -45.26 85.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.392 -0.818 . . . . 1.21 109.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.97 -37.33 84.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.872 . . . . 1.69 109.819 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.01 -50.6 73.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.185 -0.947 . . . . 0.27 109.915 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.611 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 20.1 mt -61.19 -40.48 94.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.338 -0.851 . . . . 0.3 109.729 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.84 -39.0 87.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 1.93 110.02 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.458 HD21 ' OE1' ' A' ' 354' ' ' GLN . 12.6 tp -63.99 -44.56 92.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.4 109.921 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 26.6 ttmt -62.13 -43.13 99.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 1.59 109.31 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -56.99 -33.31 66.99 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.464 -0.773 . . . . 1.43 109.799 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.41 79.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.859 . . . . 0.65 109.789 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.456 ' OE1' HD21 ' A' ' 350' ' ' LEU . 16.7 mt-30 -81.55 -7.42 59.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 1.19 109.415 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.84 -90.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 1.22 109.43 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 109.92 3.36 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.724 -1.35 . . . . 1.53 109.724 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -87.12 135.57 33.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -1.235 . . . . 4.21 109.486 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.88 108.53 0.97 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 5.68 109.499 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.59 -172.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.051 1.834 . . . . 5.57 110.339 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.455 -1.458 . . . . 7.2 109.455 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 mttp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.394 -0.595 . . . . 8.96 109.394 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' C' ' 321' ' ' LYS . 9.5 mttt 61.4 16.3 7.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.262 -0.899 . . . . 8.15 109.435 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' C' ' 320' ' ' LYS . 63.5 mmtt 61.01 143.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 7.15 109.469 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 321' ' ' LYS . 0.9 OUTLIER -64.15 -82.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.143 1.896 . . . . 4.35 110.172 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 94.4 mt -82.95 109.16 16.82 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.19 -0.944 . . . . 4.63 109.566 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.97 -153.05 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 2.85 109.217 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.81 163.82 46.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.26 -1.536 . . . . 1.12 109.26 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.22 131.34 50.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -1.176 . . . . 2.11 109.493 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 17.4 m-85 -93.84 156.61 16.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.64 109.521 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.5 m-85 -139.07 -168.88 2.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.49 109.524 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.3 p -152.86 160.91 43.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.106 -0.996 . . . . 0.47 109.693 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -147.75 130.93 16.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.42 109.419 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 45.6 tt0 -86.81 131.03 34.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.81 109.705 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.4 mt -123.94 121.0 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 0.42 109.495 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -73.73 147.87 43.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 2.35 109.546 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 139.07 7.58 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.836 -1.306 . . . . 0.41 109.836 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.8 ttp180 -82.63 -55.12 4.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.361 -1.082 . . . . 2.59 109.51 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.48 -44.47 89.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.35 -0.844 . . . . 2.54 109.385 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.54 -41.99 95.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 3.39 109.2 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.0 t80 -55.79 -52.19 64.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.47 109.801 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -50.55 -36.03 32.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 1.66 110.05 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.88 -48.37 79.3 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.162 -0.961 . . . . 0.61 109.925 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.689 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 24.0 m-85 -61.06 -49.09 78.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.204 -0.935 . . . . 0.33 109.24 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.12 -42.04 60.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.493 -0.754 . . . . 3.28 109.578 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.09 -41.64 92.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 1.78 109.809 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' D' ' 344' ' ' LEU . 28.6 mt -62.11 -45.87 91.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.38 109.505 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.3 t30 -57.6 -45.26 85.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 1.2 109.487 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -62.01 -37.44 84.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.317 -0.864 . . . . 2.12 109.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.92 -50.62 73.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.189 -0.944 . . . . 0.26 109.99 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.634 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.5 mt -61.25 -40.39 93.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.4 109.707 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -39.04 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 2.09 109.979 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.646 HD21 ' OE1' ' D' ' 354' ' ' GLN . 12.6 tp -63.99 -44.5 92.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.75 109.96 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.487 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 26.5 ttmt -62.03 -43.24 99.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 2.19 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.51 -0.744 . . . . 1.34 109.735 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.45 79.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 0.72 109.781 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -81.64 -7.32 59.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.8 109.412 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -90.39 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 1.39 109.426 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 109.89 3.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.723 -1.351 . . . . 1.66 109.723 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.13 135.67 33.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.175 -1.191 . . . . 4.45 109.469 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.85 108.53 0.97 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.922 . . . . 6.19 109.516 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.68 -172.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.025 1.816 . . . . 5.58 110.332 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.468 -1.453 . . . . 6.9 109.468 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.416 -0.587 . . . . 7.36 109.416 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' D' ' 321' ' ' LYS . 9.5 mttt 61.53 16.17 7.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.276 -0.89 . . . . 7.15 109.375 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' D' ' 320' ' ' LYS . 63.5 mmtt 61.14 143.05 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.311 -0.868 . . . . 6.5 109.375 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' ' 321' ' ' LYS . 0.9 OUTLIER -64.09 -82.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.084 1.856 . . . . 4.5 110.153 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' D' ' 323' ' ' LEU . 94.3 mt -82.85 109.21 16.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 4.32 109.602 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 2.1 m-20 -81.0 -152.96 0.09 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 2.46 109.233 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.91 163.75 47.19 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.196 -1.562 . . . . 0.97 109.196 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.19 131.49 50.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -1.14 . . . . 1.67 109.428 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 17.9 m-85 -93.98 156.69 16.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.912 . . . . 0.61 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.15 -168.98 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.56 109.463 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.1 p -152.84 160.95 43.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.11 -0.994 . . . . 0.43 109.657 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.4 tp -147.73 130.81 16.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.35 109.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 45.7 tt0 -86.78 131.08 34.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.233 -0.917 . . . . 1.37 109.694 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' D' ' 341' ' ' PHE . 44.6 mt -123.94 121.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.48 109.474 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' B' ' 324' ' ' ASP . 54.7 ttt180 -73.65 147.8 43.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.308 -0.87 . . . . 2.08 109.538 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.36 139.26 7.75 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.798 -1.321 . . . . 0.4 109.798 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.9 ttp180 -82.8 -55.19 4.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.348 -1.09 . . . . 2.64 109.488 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -58.3 -44.74 88.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.368 -0.833 . . . . 2.22 109.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.28 -41.97 94.46 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.284 -0.885 . . . . 2.74 109.332 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.3 t80 -55.83 -52.19 64.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.43 109.822 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.41 -36.22 31.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.69 110.067 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.81 -48.3 79.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.971 . . . . 0.43 110.035 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 24.3 m-85 -60.97 -49.22 78.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.18 -0.95 . . . . 0.27 109.259 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.1 -41.95 60.32 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.474 -0.766 . . . . 2.45 109.56 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.25 -41.53 93.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 1.75 109.799 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' C' ' 344' ' ' LEU . 28.5 mt -62.1 -45.88 91.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.31 109.564 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.4 t30 -57.64 -45.22 85.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.22 109.5 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.03 -37.24 84.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.73 109.862 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -50.62 73.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.315 -0.865 . . . . 0.28 109.918 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.629 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.27 -40.45 94.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.334 -0.854 . . . . 0.31 109.719 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.79 -38.96 87.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.282 -0.886 . . . . 1.91 109.963 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 12.6 tp -64.19 -44.51 91.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 0.43 109.792 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -62.01 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 1.57 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -57.04 -33.31 67.09 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.56 -0.712 . . . . 1.44 109.677 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.48 79.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.344 -0.847 . . . . 0.64 109.755 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.646 ' OE1' HD21 ' C' ' 350' ' ' LEU . 16.5 mt-30 -81.65 -7.25 59.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 1.21 109.432 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.87 -90.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 1.22 109.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 109.81 3.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.724 -1.35 . . . . 1.5 109.724 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.17 135.64 33.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -1.214 . . . . 4.18 109.462 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.79 108.5 0.96 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.284 -0.885 . . . . 5.67 109.536 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.58 -172.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.05 1.833 . . . . 5.65 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 109.444 -1.462 . . . . 7.27 109.444 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.325 0.583 . . . . 7.33 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 321' ' ' LYS . 13.9 mttt 60.02 18.56 7.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 7.21 109.515 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.7 mttt 62.62 146.02 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.26 -0.9 . . . . 6.47 109.377 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -62.94 -82.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.011 1.807 . . . . 4.53 110.154 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.5 113.16 20.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.138 -0.976 . . . . 4.35 109.44 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.97 -100.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 2.48 109.193 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.77 154.1 52.67 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.243 -1.543 . . . . 0.98 109.243 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.1 mt-10 -58.6 132.7 54.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.162 -1.199 . . . . 1.7 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 20.6 m-85 -94.87 146.97 23.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.61 109.693 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 46.4 m-85 -140.37 140.19 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.58 109.418 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.27 171.68 8.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 0.42 109.627 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.1 tp -149.75 134.08 17.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.36 109.681 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.73 122.91 31.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.37 109.5 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -124.16 109.12 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.344 -0.847 . . . . 0.47 109.805 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -74.5 146.01 43.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.916 . . . . 2.1 109.47 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.68 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.889 -1.285 . . . . 0.42 109.889 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.3 ttt180 -80.73 -54.46 5.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -1.146 . . . . 2.68 109.27 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.58 -44.7 89.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 2.22 109.281 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.28 -44.43 95.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.429 -0.794 . . . . 2.77 109.522 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' C' ' 330' ' ' LEU . 37.8 t80 -54.61 -54.18 44.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.43 109.526 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.5 -39.07 56.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.318 -0.864 . . . . 1.66 110.073 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.63 -47.03 85.51 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.192 -0.943 . . . . 0.44 110.212 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -49.51 76.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.125 -0.984 . . . . 0.29 109.352 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.05 -39.6 56.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 2.44 109.394 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.29 -43.08 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 1.74 109.73 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' B' ' 344' ' ' LEU . 97.1 mt -62.46 -44.98 95.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.3 -0.875 . . . . 0.3 109.52 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.74 -45.52 85.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.852 . . . . 1.22 109.734 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.54 -37.18 85.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 1.72 109.645 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.98 -52.05 67.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.27 109.936 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.304 -0.873 . . . . 0.29 109.551 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -59.56 -37.37 78.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 1.91 109.478 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.523 HD21 ' OE1' ' B' ' 354' ' ' GLN . 14.4 tp -63.53 -40.67 97.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 0.41 109.094 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -52.52 63.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.025 -0.731 . . . . 1.56 109.025 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.51 -29.79 62.25 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.616 -0.677 . . . . 1.43 109.679 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.05 92.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.347 -0.846 . . . . 0.66 109.699 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.642 ' OE1' HD21 ' B' ' 350' ' ' LEU . 4.3 mt-30 -83.72 -13.53 53.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.18 109.551 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.3 55.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 1.23 109.527 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 42.46 3.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.996 -1.242 . . . . 1.54 109.996 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.21 145.04 27.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -1.217 . . . . 4.18 109.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.76 154.42 2.4 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 5.71 109.668 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.14 135.78 60.71 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.171 1.914 . . . . 5.61 110.139 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.965 -1.464 . . . . 7.24 109.537 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.453 -0.573 . . . . 7.34 109.453 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 321' ' ' LYS . 13.9 mttt 59.99 18.48 7.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 7.17 109.547 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.7 mttt 62.74 146.11 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 6.44 109.368 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.1 -82.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.105 1.87 . . . . 4.54 110.161 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.59 113.17 20.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 4.32 109.385 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -100.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -0.993 . . . . 2.47 109.278 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.25 154.03 52.28 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.235 -1.546 . . . . 0.95 109.235 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 47.2 mt-10 -58.46 132.62 54.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.137 -1.213 . . . . 1.61 109.264 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 21.0 m-85 -94.86 147.05 23.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.57 109.585 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 45.7 m-85 -140.47 140.19 35.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.868 . . . . 0.53 109.39 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.4 p -92.25 171.64 8.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.447 -0.783 . . . . 0.38 109.601 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' B' ' 330' ' ' LEU . 25.3 tp -149.77 134.13 17.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.36 109.604 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.84 122.91 31.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 1.36 109.517 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.14 108.95 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.49 109.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -74.43 145.99 43.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.201 -0.937 . . . . 2.1 109.532 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.69 134.8 8.64 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.876 -1.29 . . . . 0.44 109.876 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.2 ttt180 -80.76 -54.31 5.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -1.121 . . . . 2.72 109.312 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.66 -44.71 90.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 2.21 109.356 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.44 95.15 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.344 -0.848 . . . . 2.79 109.606 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' D' ' 330' ' ' LEU . 37.7 t80 -54.53 -54.31 42.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.348 -0.845 . . . . 0.45 109.557 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.55 -38.97 56.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -0.861 . . . . 1.68 110.061 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.54 -47.08 85.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.154 -0.966 . . . . 0.43 110.217 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -49.49 76.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.138 -0.976 . . . . 0.28 109.256 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -50.94 -39.54 55.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 2.52 109.541 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.39 -43.02 97.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.185 -0.947 . . . . 1.75 109.689 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 344' ' ' LEU . 96.6 mt -62.56 -44.84 95.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.31 109.617 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.8 -45.5 85.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.321 -0.862 . . . . 1.21 109.777 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.53 -37.19 85.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 1.69 109.643 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.0 -51.94 67.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.27 109.985 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.27 -40.78 95.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.331 -0.856 . . . . 0.3 109.527 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.6 -37.22 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.93 109.463 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.642 HD21 ' OE1' ' A' ' 354' ' ' GLN . 14.4 tp -63.7 -40.56 97.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.271 -0.893 . . . . 0.4 109.173 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -52.59 63.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.065 -0.717 . . . . 1.59 109.065 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.5 -29.78 62.23 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.647 -0.658 . . . . 1.43 109.716 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.12 92.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.65 109.733 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.523 ' OE1' HD21 ' A' ' 350' ' ' LEU . 4.3 mt-30 -83.6 -13.67 53.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.114 -0.991 . . . . 1.19 109.56 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.14 54.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.225 -0.922 . . . . 1.22 109.577 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.68 42.46 3.15 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.898 -1.281 . . . . 1.53 109.898 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.25 145.02 27.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.103 -1.233 . . . . 4.21 109.445 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.81 154.5 2.39 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.154 -0.966 . . . . 5.68 109.548 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.17 135.74 60.35 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.136 1.89 . . . . 5.57 110.22 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 118.024 -1.431 . . . . 7.2 109.563 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.423 -0.584 . . . . 8.96 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' C' ' 321' ' ' LYS . 14.0 mttt 60.04 18.42 7.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 8.15 109.59 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.7 mttt 62.77 145.99 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.344 -0.848 . . . . 7.15 109.378 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.99 -82.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.997 1.798 . . . . 4.35 110.192 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.9 mt -82.53 113.14 20.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.14 -0.975 . . . . 4.63 109.416 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.93 -100.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 2.85 109.253 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 154.0 52.55 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.312 -1.515 . . . . 1.12 109.312 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 47.3 mt-10 -58.39 132.58 54.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.148 -1.207 . . . . 2.11 109.31 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 21.1 m-85 -94.89 146.98 23.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.64 109.612 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 46.3 m-85 -140.4 140.18 35.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.188 -0.945 . . . . 0.49 109.362 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.5 p -92.22 171.75 8.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.885 . . . . 0.47 109.659 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' A' ' 338' ' ' PHE . 25.2 tp -149.8 133.98 17.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 0.42 109.685 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.65 122.92 31.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.81 109.562 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.2 108.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.188 -0.945 . . . . 0.42 109.878 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -74.34 146.04 43.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 2.35 109.486 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.63 134.79 8.64 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.992 -1.243 . . . . 0.41 109.992 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.2 ttt180 -80.66 -54.52 5.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -1.084 . . . . 2.59 109.296 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.51 -44.84 89.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.201 -0.937 . . . . 2.54 109.297 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.37 95.2 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.252 -0.905 . . . . 3.39 109.64 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.62 -54.27 43.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.851 . . . . 0.47 109.493 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -51.51 -38.93 56.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 1.66 110.141 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.59 -47.18 84.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.175 -0.953 . . . . 0.61 110.15 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.3 -49.44 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.92 . . . . 0.33 109.327 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.0 -39.55 56.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.35 -0.844 . . . . 3.28 109.518 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.257 -0.902 . . . . 1.78 109.739 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' D' ' 344' ' ' LEU . 96.8 mt -62.5 -44.87 95.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.875 . . . . 0.38 109.597 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -45.52 86.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.2 109.708 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.44 -37.24 85.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.921 . . . . 2.12 109.647 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.02 -51.99 67.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.26 109.929 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.22 -40.77 95.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 0.4 109.615 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.55 -37.24 77.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.237 -0.915 . . . . 2.09 109.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.659 HD21 ' OE1' ' D' ' 354' ' ' GLN . 14.4 tp -63.67 -40.6 97.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 0.75 109.105 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -52.56 63.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.429 -0.794 . . . . 2.19 109.056 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.41 -29.86 62.08 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.644 -0.66 . . . . 1.34 109.707 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.03 92.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.72 109.699 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.473 ' OE1' HD21 ' D' ' 350' ' ' LEU . 4.3 mt-30 -83.69 -13.52 53.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.8 109.548 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.33 -8.18 54.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.116 -0.99 . . . . 1.39 109.494 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 42.5 3.16 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.954 -1.258 . . . . 1.66 109.954 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 145.06 27.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.034 -1.274 . . . . 4.45 109.435 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.85 154.41 2.46 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.245 -0.909 . . . . 6.19 109.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.06 135.65 60.22 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.16 1.907 . . . . 5.58 110.232 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 CA-C-O 117.999 -1.445 . . . . 6.9 109.529 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 7.36 109.405 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' D' ' 321' ' ' LYS . 13.9 mttt 59.95 18.48 7.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 7.15 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.7 mttt 62.77 145.93 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.254 -0.904 . . . . 6.5 109.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.95 -82.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 121.936 1.757 . . . . 4.5 110.154 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.9 mt -82.52 113.2 20.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 4.32 109.41 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -100.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.16 -0.962 . . . . 2.46 109.16 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.03 153.93 52.37 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.266 -1.534 . . . . 0.97 109.266 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 47.2 mt-10 -58.41 132.59 54.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -1.143 . . . . 1.67 109.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 20.6 m-85 -94.9 147.05 23.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.894 . . . . 0.61 109.561 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 46.0 m-85 -140.44 140.15 35.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.956 . . . . 0.56 109.388 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.22 171.71 8.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.43 109.61 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' B' ' 338' ' ' PHE . 25.2 tp -149.78 134.03 17.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.202 -0.936 . . . . 0.35 109.682 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 122.86 31.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.847 . . . . 1.37 109.551 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.21 109.09 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.938 . . . . 0.48 109.768 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -74.48 146.15 43.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 2.08 109.477 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.53 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.925 -1.27 . . . . 0.4 109.925 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.2 ttt180 -80.63 -54.45 5.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -1.149 . . . . 2.64 109.326 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.55 -44.81 89.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.336 -0.852 . . . . 2.22 109.309 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.42 95.15 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.425 -0.797 . . . . 2.74 109.58 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.6 -54.3 43.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 0.43 109.446 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.47 -39.0 56.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 1.69 110.151 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.6 -47.05 85.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.12 -0.988 . . . . 0.43 110.177 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.31 -49.42 77.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.27 109.378 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.15 -39.33 56.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 2.45 109.549 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.44 -42.96 97.17 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 1.75 109.737 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -62.66 -44.83 95.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.292 -0.88 . . . . 0.31 109.469 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -57.94 -45.62 86.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 1.22 109.686 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.29 -37.22 84.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.73 109.701 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.04 -51.89 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.28 109.975 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.29 -40.86 95.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.31 109.509 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.56 -37.29 78.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 1.91 109.473 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.473 HD21 ' OE1' ' C' ' 354' ' ' GLN . 14.4 tp -63.55 -40.55 97.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 0.43 109.207 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -52.53 63.14 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.495 -0.753 . . . . 1.57 109.142 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -56.48 -29.71 62.08 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.594 -0.691 . . . . 1.44 109.796 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.18 92.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.64 109.685 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.659 ' OE1' HD21 ' C' ' 350' ' ' LEU . 4.2 mt-30 -83.7 -13.48 53.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.078 -1.013 . . . . 1.21 109.505 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.41 -8.14 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.159 -0.963 . . . . 1.22 109.399 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 42.41 3.15 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.008 -1.237 . . . . 1.5 110.008 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.24 145.11 27.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.103 -1.233 . . . . 4.18 109.453 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.81 154.4 2.44 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 5.67 109.591 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -61.07 135.76 60.87 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.1 1.867 . . . . 5.65 110.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.005 -1.442 . . . . 7.27 109.573 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 mttt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.434 -0.58 . . . . 7.33 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 321' ' ' LYS . 5.4 tttt 62.54 100.33 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.138 -0.976 . . . . 7.21 109.357 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 26.5 mttt 59.96 92.31 0.07 OUTLIER Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 6.47 109.32 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.57 -154.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.024 1.816 . . . . 4.53 109.949 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.65 111.64 16.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 4.35 109.342 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.07 -163.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.48 109.535 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.48 163.19 51.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.26 -1.536 . . . . 0.98 109.26 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.8 140.47 47.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.176 -1.191 . . . . 1.7 109.319 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 5.2 m-85 -94.14 157.16 16.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.136 -0.977 . . . . 0.61 109.615 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.1 m-85 -140.1 -167.76 2.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.293 -0.879 . . . . 0.58 109.604 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 15.7 p -153.06 160.11 42.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.42 109.534 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.4 tp -147.91 134.27 19.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.36 109.358 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.97 128.11 34.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 1.37 109.397 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.98 118.19 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.149 -0.969 . . . . 0.47 109.582 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 152.59 40.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 2.1 109.457 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.72 130.61 2.5 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.2 ttt180 -78.67 -47.76 16.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -1.199 . . . . 2.68 109.294 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.38 -50.37 73.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.866 . . . . 2.22 109.407 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.59 -39.13 86.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.432 -0.793 . . . . 2.77 109.383 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' C' ' 329' ' ' THR . 60.1 t80 -55.13 -55.41 31.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.392 -0.818 . . . . 0.43 109.411 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -50.78 -38.55 48.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 1.66 110.108 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.41 -48.85 77.91 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.244 -0.91 . . . . 0.44 110.242 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.46 -52.85 63.44 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.157 -0.965 . . . . 0.29 109.305 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -50.93 -38.96 53.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 2.44 109.739 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.71 -43.63 97.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.137 -0.977 . . . . 1.74 109.799 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 344' ' ' LEU . 72.7 mt -62.3 -41.41 98.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.124 -0.985 . . . . 0.3 109.395 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.31 -50.31 74.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.22 109.664 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.42 ' HB3' ' HZ1' ' B' ' 351' ' ' LYS . 1.2 mm-40 -62.98 -33.3 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -0.834 . . . . 1.72 110.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.65 -52.71 64.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.111 -0.993 . . . . 0.27 109.961 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.74 -40.61 93.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 0.29 109.598 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.88 -36.73 77.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.91 109.573 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.711 HD11 HE22 ' B' ' 354' ' ' GLN . 14.3 tp -64.36 -42.31 96.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.221 -0.924 . . . . 0.41 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.51 -48.65 80.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 1.56 108.9 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.87 -30.46 63.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.721 -0.612 . . . . 1.43 109.664 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.05 89.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.327 -0.858 . . . . 0.66 109.72 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.455 ' NE2' HD21 ' B' ' 350' ' ' LEU . 32.4 mt-30 -81.83 -7.91 59.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.18 109.704 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.12 32.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.173 -0.954 . . . . 1.23 109.781 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.94 2.43 83.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.758 -1.337 . . . . 1.54 109.758 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.12 106.4 17.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.024 -1.28 . . . . 4.18 109.562 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.436 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 16.4 pt-20 -49.68 159.99 0.65 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 5.71 109.411 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 1.9 Cg_endo -68.28 -3.5 10.98 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.225 1.95 . . . . 5.61 110.562 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.425 -1.47 . . . . 7.24 109.425 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.422 -0.584 . . . . 7.34 109.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 5.3 tttt 62.65 100.51 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.188 -0.945 . . . . 7.17 109.347 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 26.1 mttt 59.92 92.04 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 6.44 109.419 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -58.42 -154.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.147 1.898 . . . . 4.54 109.905 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 6.1 mt -79.53 111.62 15.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 4.32 109.396 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.99 -163.15 0.56 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.301 -0.874 . . . . 2.47 109.573 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 163.2 52.23 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.22 -1.552 . . . . 0.95 109.22 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.84 140.47 47.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.126 -1.22 . . . . 1.61 109.343 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 5.3 m-85 -94.19 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.57 109.519 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.1 m-85 -140.24 -167.75 2.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.53 109.646 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 14.9 p -152.91 160.38 43.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.23 -0.919 . . . . 0.38 109.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.6 tp -148.1 134.15 19.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.36 109.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 1.0 OUTLIER -85.8 128.05 34.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 1.36 109.437 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.97 118.21 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.49 109.653 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 152.81 39.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.291 -0.88 . . . . 2.1 109.391 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.56 130.77 2.47 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.751 -1.34 . . . . 0.44 109.751 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 35.5 ttt180 -78.87 -47.63 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -1.066 . . . . 2.72 109.318 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.63 -50.12 75.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 2.21 109.477 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.318 -0.863 . . . . 2.79 109.383 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.4 t80 -55.02 -55.45 30.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.313 -0.867 . . . . 0.45 109.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -50.83 -38.62 49.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 1.68 109.909 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.42 -48.86 77.83 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.201 -0.937 . . . . 0.43 110.093 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.47 -52.67 64.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.136 -0.977 . . . . 0.28 109.325 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -51.03 -38.9 54.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.433 -0.792 . . . . 2.52 109.829 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -60.68 -43.67 97.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 1.75 109.86 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' B' ' 344' ' ' LEU . 72.9 mt -62.31 -41.49 98.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.123 -0.986 . . . . 0.31 109.368 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.24 -50.24 74.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.372 -0.83 . . . . 1.21 109.628 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.86 -33.49 75.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.271 -0.893 . . . . 1.69 110.071 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.78 -52.55 64.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.27 109.99 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.72 -40.92 94.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.3 109.632 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.68 -36.81 77.21 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 1.93 109.615 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.455 HD21 ' NE2' ' A' ' 354' ' ' GLN . 14.3 tp -64.26 -42.25 96.57 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.184 -0.948 . . . . 0.4 109.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 346' ' ' GLU . 5.6 ttmm -61.51 -48.8 79.41 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.888 -0.782 . . . . 1.59 108.888 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.74 -30.59 63.72 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.604 -0.685 . . . . 1.43 109.715 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.05 89.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.65 109.721 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.711 HE22 HD11 ' A' ' 350' ' ' LEU . 29.2 mt-30 -82.03 -7.53 59.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 1.19 109.641 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.26 -5.17 34.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 1.22 109.719 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.36 83.22 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.883 -1.287 . . . . 1.53 109.883 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -87.21 106.39 17.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.084 -1.245 . . . . 4.21 109.571 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 16.5 pt-20 -49.84 159.81 0.7 Allowed Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 5.68 109.408 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 1.7 Cg_endo -68.14 -3.73 11.27 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.272 1.982 . . . . 5.57 110.532 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 360' ' ' GLY . . . . . 0.402 ' OXT' ' O ' ' B' ' 359' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.403 0 CA-C-O 117.929 -1.484 . . . . 7.2 109.521 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mttt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.245 0.545 . . . . 8.96 109.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' C' ' 321' ' ' LYS . 5.3 tttt 62.3 100.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 8.15 109.382 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 26.3 mttt 59.93 92.16 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 7.15 109.43 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -58.66 -154.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.002 1.802 . . . . 4.35 109.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.62 111.6 16.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.115 -0.991 . . . . 4.63 109.397 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.02 -163.37 0.59 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.872 . . . . 2.85 109.578 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.47 163.39 51.5 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.239 -1.545 . . . . 1.12 109.239 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.99 140.67 48.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.169 -1.195 . . . . 2.11 109.195 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 5.5 m-85 -94.28 157.21 16.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.64 109.545 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.2 m-85 -140.15 -167.81 2.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.49 109.661 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 15.3 p -153.06 159.81 42.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.47 109.615 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -147.61 134.43 20.1 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.32 -0.862 . . . . 0.42 109.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.02 127.86 34.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 1.81 109.392 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.75 118.27 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.42 109.601 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 152.87 39.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.875 . . . . 2.35 109.419 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.26 130.74 2.35 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.73 -1.348 . . . . 0.41 109.73 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.4 ttt180 -78.87 -47.65 16.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -1.126 . . . . 2.59 109.293 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.44 -50.28 74.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 2.54 109.355 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.63 -39.16 87.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.317 -0.864 . . . . 3.39 109.453 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 329' ' ' THR . 60.3 t80 -55.17 -55.31 32.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.47 109.438 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -50.96 -38.42 50.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 1.66 110.016 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -62.43 -48.89 77.69 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.214 -0.929 . . . . 0.61 110.223 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.38 -52.69 64.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.131 -0.981 . . . . 0.33 109.394 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -38.92 54.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.45 -0.781 . . . . 3.28 109.806 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.65 -43.68 97.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 1.78 109.854 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' C' ' 344' ' ' LEU . 71.5 mt -62.39 -41.33 98.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.103 -0.998 . . . . 0.38 109.367 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.29 -50.5 73.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.2 109.611 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.91 -33.13 74.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.12 110.214 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -52.82 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 0.26 109.989 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.77 -40.6 93.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.246 -0.909 . . . . 0.4 109.579 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.83 -36.97 77.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 2.09 109.615 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.713 HD11 HE22 ' D' ' 354' ' ' GLN . 14.2 tp -64.1 -42.21 96.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 0.75 109.355 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.533 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 5.6 ttmm -61.67 -48.65 79.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.396 -0.815 . . . . 2.19 108.956 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.77 -30.42 63.6 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.665 -0.647 . . . . 1.34 109.747 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.09 89.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.72 109.806 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.496 HE22 HD11 ' D' ' 350' ' ' LEU . 29.3 mt-30 -82.0 -7.6 59.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.207 -0.933 . . . . 1.8 109.651 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.15 -5.04 32.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 1.39 109.714 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.87 2.48 83.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.817 -1.313 . . . . 1.66 109.817 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.27 106.51 17.96 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -1.216 . . . . 4.45 109.524 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.455 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 16.0 pt-20 -49.93 159.81 0.72 Allowed Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.172 -0.955 . . . . 6.19 109.315 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 1.9 Cg_endo -68.26 -3.6 11.14 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.264 1.976 . . . . 5.58 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 360' ' ' GLY . . . . . 0.4 ' OXT' ' O ' ' C' ' 359' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.969 -1.462 . . . . 6.9 109.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.536 -0.542 . . . . 7.36 109.536 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' D' ' 321' ' ' LYS . 5.3 tttt 62.84 100.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.254 -0.904 . . . . 7.15 109.406 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 25.3 mttt 59.84 91.86 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 6.5 109.367 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -58.62 -154.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.993 1.795 . . . . 4.5 109.923 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.69 111.64 16.18 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 4.32 109.352 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.23 -163.13 0.57 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 2.46 109.496 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 163.19 51.81 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.268 -1.533 . . . . 0.97 109.268 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.91 140.44 48.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.145 -1.209 . . . . 1.67 109.141 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 5.2 m-85 -94.18 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.61 109.447 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.3 m-85 -140.23 -167.68 2.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.925 . . . . 0.56 109.594 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 15.2 p -152.82 160.5 43.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.959 . . . . 0.43 109.541 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.4 tp -148.37 134.03 18.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.35 109.404 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -85.74 128.15 34.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 1.37 109.419 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -123.96 118.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.48 109.578 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 152.45 40.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 2.08 109.399 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 130.65 2.56 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.694 -1.362 . . . . 0.4 109.694 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 35.7 ttt180 -78.78 -47.51 16.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -1.199 . . . . 2.64 109.305 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.74 -50.27 74.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.163 -0.96 . . . . 2.22 109.369 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.61 -39.04 86.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.348 -0.845 . . . . 2.74 109.393 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 60.6 t80 -55.1 -55.32 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.43 109.536 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -50.86 -38.62 50.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.487 -0.758 . . . . 1.69 110.021 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.51 -48.61 78.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.28 -0.888 . . . . 0.43 110.255 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.57 -52.74 63.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.02 . . . . 0.27 109.34 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.462 -0.774 . . . . 2.45 109.836 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -60.74 -43.55 97.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.935 . . . . 1.75 109.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' D' ' 344' ' ' LEU . 71.5 mt -62.37 -41.64 98.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.31 109.333 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -58.16 -50.3 73.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -0.847 . . . . 1.22 109.638 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.462 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.2 mm-40 -62.96 -33.5 75.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 1.73 110.152 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.65 -52.53 65.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.28 110.038 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.77 -40.95 94.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.269 -0.895 . . . . 0.31 109.592 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.65 -36.77 77.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 1.91 109.562 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 14.0 tp -64.31 -42.24 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.202 -0.936 . . . . 0.43 109.429 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.56 -48.68 79.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.379 -0.826 . . . . 1.57 108.957 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -56.73 -30.52 63.61 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.602 -0.686 . . . . 1.44 109.695 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.16 90.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.302 -0.874 . . . . 0.64 109.725 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.713 HE22 HD11 ' C' ' 350' ' ' LEU . 28.4 mt-30 -81.97 -7.72 59.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 1.21 109.585 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.13 -5.06 32.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.886 . . . . 1.22 109.701 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.07 2.41 84.15 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.767 -1.333 . . . . 1.5 109.767 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.17 106.57 17.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.104 -1.233 . . . . 4.18 109.422 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 16.2 pt-20 -49.84 160.01 0.68 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 5.67 109.38 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -68.19 -3.49 10.87 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.177 1.918 . . . . 5.65 110.645 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 CA-C-O 118.024 -1.431 . . . . 7.27 109.528 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.502 -0.555 . . . . 7.33 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 22.8 mtmt 59.74 108.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.392 -0.817 . . . . 7.21 109.794 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.427 ' HG3' ' HD2' ' A' ' 322' ' ' PRO . 4.4 tptm 64.06 126.94 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.274 -0.891 . . . . 6.47 109.819 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' HD2' ' HG3' ' A' ' 321' ' ' LYS . 6.3 Cg_exo -58.97 -146.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.125 1.884 . . . . 4.53 110.015 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.44 135.27 39.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.128 -0.983 . . . . 4.35 109.268 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 m-20 -79.64 112.83 17.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.303 -0.873 . . . . 2.48 109.855 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.2 -176.48 13.8 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.362 -1.495 . . . . 0.98 109.362 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 122.96 17.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -1.189 . . . . 1.7 109.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 33.9 m-85 -98.93 159.36 15.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.114 -0.991 . . . . 0.61 109.514 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -139.43 -169.71 2.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.839 . . . . 0.58 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 20.8 p -153.09 158.64 42.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.42 109.54 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.67 132.96 16.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.874 . . . . 0.36 109.475 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.73 33.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 1.37 109.257 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.4 mt -123.61 117.06 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -0.95 . . . . 0.47 109.412 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.36 149.89 42.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 2.1 109.523 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.31 0.94 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.624 -1.39 . . . . 0.42 109.624 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -68.75 -47.14 67.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -1.126 . . . . 2.68 109.55 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.06 -48.19 80.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 2.22 109.625 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.53 -38.25 83.83 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.325 -0.86 . . . . 2.77 109.567 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' A' ' 332' ' ' ILE . 65.9 t80 -54.97 -54.41 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.43 109.776 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.51 50.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.66 110.026 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -62.98 -48.08 80.37 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.13 -0.981 . . . . 0.44 110.197 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.456 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.2 m-85 -60.86 -51.98 67.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.29 109.321 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.13 -38.62 53.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.346 -0.846 . . . . 2.44 109.737 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.22 97.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.105 -0.997 . . . . 1.74 109.959 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 54.4 mt -62.02 -44.06 97.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -0.854 . . . . 0.3 109.486 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -47.55 82.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.314 -0.866 . . . . 1.22 109.674 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.61 -34.17 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 1.72 109.818 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -55.9 28.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.27 109.807 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.15 -35.86 78.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.29 109.314 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.88 -39.13 84.27 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 1.91 109.338 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' B' ' 354' ' ' GLN . 12.7 tp -63.83 -39.04 93.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.41 109.376 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.67 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.355 -0.841 . . . . 1.56 108.943 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.29 -30.66 60.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.76 -0.588 . . . . 1.43 109.576 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.59 -49.12 69.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.66 109.381 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.739 ' OE1' HD21 ' B' ' 350' ' ' LEU . 1.2 mt-30 -81.47 -4.43 55.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.913 . . . . 1.18 109.444 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.78 -4.91 30.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 1.23 109.813 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.33 -6.06 89.04 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.736 -1.346 . . . . 1.54 109.736 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.66 107.27 18.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.301 -1.117 . . . . 4.18 109.391 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.49 130.66 26.28 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 5.71 109.623 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.59 142.44 94.67 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.068 1.845 . . . . 5.61 110.178 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.861 -1.522 . . . . 7.24 109.607 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.487 -0.561 . . . . 7.34 109.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 59.82 108.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.857 . . . . 7.17 109.765 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.426 ' HG3' ' HD2' ' B' ' 322' ' ' PRO . 4.4 tptm 64.01 126.89 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 6.44 109.874 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' HD2' ' HG3' ' B' ' 321' ' ' LYS . 6.3 Cg_exo -58.98 -146.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.187 0 C-N-CA 122.103 1.868 . . . . 4.54 109.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.42 135.3 39.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 4.32 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.486 ' HB3' ' CE1' ' B' ' 327' ' ' TYR . 2.1 m-20 -79.71 112.73 17.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 2.47 109.911 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.07 -176.54 13.27 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.386 -1.486 . . . . 0.95 109.386 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.81 123.01 17.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -1.15 . . . . 1.61 109.933 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 33.8 m-85 -99.01 159.42 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.162 -0.961 . . . . 0.57 109.478 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 70.0 m-85 -139.43 -169.72 2.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.348 -0.845 . . . . 0.53 109.38 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.6 p -153.09 158.69 42.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.976 . . . . 0.38 109.502 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.71 133.0 16.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.893 . . . . 0.36 109.497 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.92 134.78 33.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.256 -0.903 . . . . 1.36 109.262 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.0 mt -123.78 116.98 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.107 -0.995 . . . . 0.49 109.385 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -73.29 149.92 42.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.899 . . . . 2.1 109.535 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.09 122.22 0.94 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.627 -1.389 . . . . 0.44 109.627 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -68.7 -47.08 67.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -1.132 . . . . 2.72 109.62 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -58.02 -48.35 80.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.958 . . . . 2.21 109.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.43 -38.28 83.6 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.334 -0.854 . . . . 2.79 109.526 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.599 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.6 t80 -54.95 -54.49 42.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.435 -0.791 . . . . 0.45 109.724 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.46 49.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 1.68 110.077 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.01 -48.06 80.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.097 -1.002 . . . . 0.43 110.248 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.4 m-85 -60.94 -51.89 67.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.28 109.359 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -51.03 -38.79 53.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.33 -0.856 . . . . 2.52 109.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.99 -44.23 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.198 -0.939 . . . . 1.75 109.96 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 54.2 mt -62.15 -43.77 98.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -0.853 . . . . 0.31 109.574 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.11 -47.43 83.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 1.21 109.693 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.65 -34.16 76.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 1.69 109.792 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -55.82 29.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.27 109.821 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.21 -35.85 78.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.37 -0.831 . . . . 0.3 109.341 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.327 -0.858 . . . . 1.93 109.383 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.739 HD21 ' OE1' ' A' ' 354' ' ' GLN . 12.7 tp -63.96 -39.0 93.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 0.4 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.05 -49.64 75.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 1.59 108.966 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.28 -30.59 60.42 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.64 -0.663 . . . . 1.43 109.663 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.73 -49.15 69.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.65 109.397 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 350' ' ' LEU . 1.2 mt-30 -81.32 -4.43 55.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.268 -0.895 . . . . 1.19 109.597 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.75 -4.89 30.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.916 . . . . 1.22 109.815 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.32 -6.09 89.03 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.736 -1.346 . . . . 1.53 109.736 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 107.16 18.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.223 -1.163 . . . . 4.21 109.375 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.41 130.73 25.75 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.326 -0.859 . . . . 5.68 109.542 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.71 142.44 94.11 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.978 1.786 . . . . 5.57 110.28 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 117.963 -1.465 . . . . 7.2 109.634 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.331 0.586 . . . . 8.96 109.485 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 22.7 mtmt 59.83 108.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.262 -0.899 . . . . 8.15 109.664 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.42 ' HG3' ' HD2' ' C' ' 322' ' ' PRO . 4.4 tptm 64.06 126.85 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 7.15 109.883 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.42 ' HD2' ' HG3' ' C' ' 321' ' ' LYS . 6.2 Cg_exo -58.92 -146.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.121 1.881 . . . . 4.35 110.055 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 82.8 mt -76.4 135.35 39.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.981 -1.074 . . . . 4.63 109.228 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.485 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 2.1 m-20 -79.74 112.72 17.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 2.85 109.841 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.555 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.09 -176.68 13.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.37 -1.492 . . . . 1.12 109.37 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.56 122.97 17.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.207 -1.173 . . . . 2.11 109.988 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 33.8 m-85 -99.04 159.41 14.99 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.078 -1.014 . . . . 0.64 109.401 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -139.45 -169.68 2.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.49 109.38 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 20.7 p -153.12 158.58 42.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.47 109.603 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.61 133.07 16.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.337 -0.852 . . . . 0.42 109.397 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 134.73 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.81 109.359 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.604 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.5 mt -123.71 116.91 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.178 -0.951 . . . . 0.42 109.473 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.12 149.88 42.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 2.35 109.506 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.15 122.09 0.94 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.638 -1.385 . . . . 0.41 109.638 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -68.53 -47.17 67.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -1.137 . . . . 2.59 109.665 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.96 -48.28 80.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 2.54 109.608 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.52 -38.23 83.74 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.349 -0.844 . . . . 3.39 109.469 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.4 t80 -55.05 -54.4 43.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.436 -0.79 . . . . 0.47 109.681 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.54 -37.52 49.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.371 -0.831 . . . . 1.66 110.044 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.02 -47.98 80.73 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.158 -0.964 . . . . 0.61 110.228 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.2 m-85 -60.95 -51.9 67.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.33 109.382 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.1 -38.67 53.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 3.28 109.734 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.02 -44.25 97.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.966 . . . . 1.78 109.929 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' D' ' 344' ' ' LEU . 54.2 mt -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.154 -0.966 . . . . 0.38 109.5 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -57.98 -47.41 83.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 1.2 109.797 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.67 -34.2 76.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 2.12 109.718 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.91 -55.78 29.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.26 109.781 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.21 -35.98 78.65 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.24 -0.912 . . . . 0.4 109.214 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.79 -39.18 84.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 2.09 109.373 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.565 HD21 ' OE1' ' D' ' 354' ' ' GLN . 12.7 tp -63.7 -39.24 93.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -0.86 . . . . 0.75 109.33 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.65 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.875 . . . . 2.19 109.073 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.15 -30.7 60.37 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.63 -0.669 . . . . 1.34 109.706 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -49.0 70.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.222 -0.924 . . . . 0.72 109.429 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.628 ' OE1' HD21 ' D' ' 350' ' ' LEU . 1.2 mt-30 -81.51 -4.45 55.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.862 . . . . 1.8 109.536 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.82 -4.87 30.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 1.39 109.82 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.35 -5.95 89.13 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.761 -1.336 . . . . 1.66 109.761 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 107.26 18.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -1.179 . . . . 4.45 109.269 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.5 130.79 26.42 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.211 -0.931 . . . . 6.19 109.548 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.75 142.42 93.87 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.135 1.89 . . . . 5.58 110.256 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.934 -1.481 . . . . 6.9 109.686 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.4 -0.592 . . . . 7.36 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt 59.89 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.26 -0.9 . . . . 7.15 109.601 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.427 ' HG3' ' HD2' ' D' ' 322' ' ' PRO . 4.4 tptm 64.18 126.86 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.897 . . . . 6.5 109.789 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.427 ' HD2' ' HG3' ' D' ' 321' ' ' LYS . 6.3 Cg_exo -58.96 -146.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.144 1.896 . . . . 4.5 110.051 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -76.4 135.32 39.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 4.32 109.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' D' ' 327' ' ' TYR . 2.1 m-20 -79.75 112.68 17.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.368 -0.832 . . . . 2.46 109.906 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.13 -176.56 13.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.327 -1.509 . . . . 0.97 109.327 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.73 122.83 17.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -1.174 . . . . 1.67 109.971 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 34.0 m-85 -98.86 159.39 14.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.051 -1.031 . . . . 0.61 109.554 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.1 m-85 -139.4 -169.74 2.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.56 109.409 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.1 158.53 42.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.115 -0.991 . . . . 0.43 109.604 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.64 132.99 16.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.294 -0.879 . . . . 0.35 109.458 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.78 33.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.915 . . . . 1.37 109.303 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.596 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.77 117.03 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.131 -0.98 . . . . 0.48 109.395 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -73.27 149.84 42.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 2.08 109.527 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.17 121.99 0.93 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.691 -1.364 . . . . 0.4 109.691 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -68.47 -47.08 68.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 2.64 109.764 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.04 -48.13 81.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.923 . . . . 2.22 109.731 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.6 -38.24 84.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.213 -0.93 . . . . 2.74 109.491 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' D' ' 332' ' ' ILE . 65.7 t80 -55.0 -54.38 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.43 109.797 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.54 -37.45 49.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 1.69 110.081 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -63.15 -48.03 80.17 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.152 -0.968 . . . . 0.43 110.126 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.3 m-85 -60.9 -51.96 67.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.27 109.383 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.01 -38.79 53.48 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.407 -0.808 . . . . 2.45 109.685 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.18 97.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.174 -0.954 . . . . 1.75 109.939 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' C' ' 344' ' ' LEU . 54.6 mt -62.13 -43.9 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.31 109.556 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.09 -47.4 83.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.171 -0.956 . . . . 1.22 109.679 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.78 -34.08 76.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.73 109.661 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -55.95 27.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 0.28 109.801 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.97 -35.95 78.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.43 -0.794 . . . . 0.31 109.454 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.83 -39.23 84.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.91 109.333 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.628 HD21 ' OE1' ' C' ' 354' ' ' GLN . 12.7 tp -63.79 -39.08 93.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.43 109.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -49.64 75.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 1.57 108.986 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.27 -30.74 60.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.712 -0.617 . . . . 1.44 109.619 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.13 70.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.64 109.46 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.565 ' OE1' HD21 ' C' ' 350' ' ' LEU . 1.2 mt-30 -81.44 -4.45 55.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.21 109.539 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.82 -4.71 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.372 -0.83 . . . . 1.22 109.92 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.44 -6.03 89.01 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.663 -1.375 . . . . 1.5 109.663 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 107.34 18.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -1.178 . . . . 4.18 109.311 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.57 130.71 26.91 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.987 . . . . 5.67 109.582 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.59 142.43 94.66 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.067 1.844 . . . . 5.65 110.248 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.99 -1.45 . . . . 7.27 109.636 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.403 ' C ' ' HG3' ' A' ' 320' ' ' LYS . 13.3 mmtm . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.539 -0.541 . . . . 7.33 109.539 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.403 ' HG3' ' C ' ' A' ' 319' ' ' LYS . 8.2 mtpt 56.08 92.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 7.21 109.376 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 51.1 mttt 55.72 67.37 3.02 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.208 -0.932 . . . . 6.47 109.046 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -66.68 -3.21 8.85 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.255 1.97 . . . . 4.53 111.081 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.54 96.4 8.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.892 -1.13 . . . . 4.35 109.448 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.487 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 3.5 m-20 -83.01 -162.58 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 2.48 109.479 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 -179.96 20.86 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.455 -1.458 . . . . 0.98 109.455 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.19 136.27 57.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -1.081 . . . . 1.7 109.581 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.05 161.58 14.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.303 -0.873 . . . . 0.61 109.545 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.5 m-85 -138.84 -171.56 3.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.58 109.387 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 328' ' ' PHE . 9.4 p -154.96 152.62 29.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.42 109.616 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.26 129.77 15.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.36 109.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 13.7 tt0 -86.44 134.9 33.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 1.37 109.527 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 28.0 mt -123.71 115.23 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.47 109.413 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.49 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.0 OUTLIER -73.7 141.74 46.39 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 2.1 109.669 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.85 -1.3 . . . . 0.42 109.85 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.2 OUTLIER -70.78 -50.6 34.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.68 109.355 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.76 -44.52 90.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.257 -0.902 . . . . 2.22 109.611 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH1' ' CG ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -44.95 86.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.174 -0.954 . . . . 2.77 109.928 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.647 ' HD1' HD12 ' A' ' 332' ' ' ILE . 25.7 t80 -55.26 -58.8 6.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.43 109.712 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -50.91 -34.92 30.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.169 -0.957 . . . . 1.66 110.016 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.73 -52.38 57.36 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.189 -0.944 . . . . 0.44 110.517 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -60.91 -54.38 45.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.148 -0.97 . . . . 0.29 109.363 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.27 -36.75 32.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.414 -0.804 . . . . 2.44 109.435 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.218 -0.926 . . . . 1.74 109.641 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' B' ' 344' ' ' LEU . 72.5 mt -62.33 -46.27 89.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -0.845 . . . . 0.3 109.608 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.39 -43.72 88.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 1.22 109.923 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -39.21 93.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.882 . . . . 1.72 109.978 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.88 -53.52 56.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 0.27 110.037 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.29 -39.55 90.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 0.29 109.774 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.0 -37.56 82.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.91 109.823 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.789 HD21 ' NE2' ' B' ' 354' ' ' GLN . 28.1 tp -64.53 -43.4 94.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.41 109.81 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 35.2 ttmt -63.53 -44.91 92.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.878 . . . . 1.56 108.9 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.84 -36.24 72.01 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.646 -0.658 . . . . 1.43 109.619 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.04 72.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.461 -0.775 . . . . 0.66 109.865 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.791 ' NE2' HD21 ' B' ' 350' ' ' LEU . 5.3 mt-30 -82.85 -8.96 59.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.18 109.626 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.7 -5.49 38.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 1.23 109.496 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.37 18.9 26.3 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.044 -1.222 . . . . 1.54 110.044 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.12 115.19 23.54 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.063 -1.257 . . . . 4.18 109.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 153.0 3.27 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 5.71 109.558 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.87 150.92 80.98 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.254 1.969 . . . . 5.61 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.511 -1.436 . . . . 7.24 109.511 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.405 ' C ' ' HG3' ' B' ' 320' ' ' LYS . 13.2 mmtm . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.551 -0.537 . . . . 7.34 109.551 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' B' ' 319' ' ' LYS . 8.2 mtpt 55.97 92.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.303 -0.873 . . . . 7.17 109.463 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 51.0 mttt 55.84 67.22 3.05 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.209 -0.932 . . . . 6.44 109.114 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -66.66 -3.19 8.8 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.29 1.993 . . . . 4.54 111.015 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.47 96.37 7.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.886 -1.134 . . . . 4.32 109.474 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.445 ' HB3' ' HD2' ' D' ' 333' ' ' ARG . 3.5 m-20 -83.03 -162.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 2.47 109.407 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -179.77 20.12 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.429 -1.469 . . . . 0.95 109.429 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.37 136.41 57.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.129 -1.218 . . . . 1.61 109.48 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -93.22 161.56 14.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 0.57 109.461 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.5 m-85 -138.81 -171.59 3.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.53 109.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.2 p -154.99 152.67 29.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.38 109.669 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.76 15.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.389 -0.819 . . . . 0.36 109.335 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 13.8 tt0 -86.35 134.94 33.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 1.36 109.538 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.664 HD13 ' HB2' ' B' ' 341' ' ' PHE . 27.7 mt -123.73 115.2 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.49 109.449 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.64 141.7 46.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 2.1 109.588 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.61 133.75 8.0 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.853 -1.299 . . . . 0.44 109.853 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.2 OUTLIER -70.84 -50.66 32.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.347 -1.09 . . . . 2.72 109.32 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.355 -0.841 . . . . 2.21 109.606 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -45.01 85.7 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 2.79 109.925 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.656 ' HD1' HD12 ' B' ' 332' ' ' ILE . 25.9 t80 -55.21 -58.76 6.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.236 -0.915 . . . . 0.45 109.744 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -50.98 -34.97 31.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.68 109.995 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.63 -52.45 57.31 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.084 -1.01 . . . . 0.43 110.496 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.9 m-85 -60.87 -54.46 44.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.108 -0.995 . . . . 0.28 109.331 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -50.15 -36.72 31.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.306 -0.871 . . . . 2.52 109.526 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.31 -43.98 97.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 1.75 109.761 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' A' ' 344' ' ' LEU . 72.4 mt -62.3 -46.2 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.328 -0.858 . . . . 0.31 109.691 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.45 -43.76 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 1.21 109.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -63.54 -39.2 93.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.833 . . . . 1.69 109.943 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.98 -53.41 58.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 0.27 110.068 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.42 -39.45 90.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.3 109.709 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.05 -37.52 82.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 1.93 109.899 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.791 HD21 ' NE2' ' A' ' 354' ' ' GLN . 28.0 tp -64.55 -43.3 94.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.4 109.857 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -63.51 -45.1 92.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.272 -0.892 . . . . 1.59 108.903 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.672 -0.643 . . . . 1.43 109.609 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -32.09 72.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.373 -0.829 . . . . 0.65 109.824 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 350' ' ' LEU . 5.3 mt-30 -82.68 -9.1 59.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 1.19 109.646 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.8 -5.23 36.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.179 -0.95 . . . . 1.22 109.556 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.52 18.85 27.19 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.966 -1.253 . . . . 1.53 109.966 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.07 115.13 23.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -1.187 . . . . 4.21 109.406 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.82 152.89 3.25 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 5.68 109.633 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.79 150.96 80.25 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.211 1.941 . . . . 5.57 110.333 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.506 -1.438 . . . . 7.2 109.506 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.468 -0.567 . . . . 8.96 109.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 56.11 92.76 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 8.15 109.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 51.1 mttt 55.74 67.32 3.03 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.149 -0.969 . . . . 7.15 109.078 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -66.56 -3.32 8.89 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.323 2.015 . . . . 4.35 111.023 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.56 96.38 8.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.929 -1.107 . . . . 4.63 109.462 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.49 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 3.5 m-20 -82.91 -162.49 0.6 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.469 -0.769 . . . . 2.85 109.509 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 -179.86 20.43 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.489 -1.444 . . . . 1.12 109.489 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.15 136.32 57.91 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.264 -1.139 . . . . 2.11 109.554 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -93.17 161.68 14.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.879 . . . . 0.64 109.497 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.5 m-85 -138.94 -171.61 3.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.49 109.301 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.491 HG23 ' O ' ' C' ' 328' ' ' PHE . 9.2 p -155.03 152.64 29.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.087 -1.008 . . . . 0.47 109.735 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.3 129.7 15.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.42 109.448 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 13.9 tt0 -86.36 134.89 33.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.318 -0.864 . . . . 1.81 109.617 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' C' ' 341' ' ' PHE . 27.8 mt -123.7 115.37 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -0.925 . . . . 0.42 109.352 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.487 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.92 141.68 45.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 2.35 109.588 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.64 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.848 -1.301 . . . . 0.41 109.848 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.2 OUTLIER -70.79 -50.64 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.395 -1.062 . . . . 2.59 109.36 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.49 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 2.54 109.651 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' CG ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -44.9 86.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.179 -0.951 . . . . 3.39 109.936 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.664 ' HD1' HD12 ' C' ' 332' ' ' ILE . 25.6 t80 -55.25 -58.74 6.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.47 109.756 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -50.95 -34.95 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.66 110.03 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.72 -52.34 57.59 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.218 -0.926 . . . . 0.61 110.502 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.05 -54.27 46.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.33 109.39 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.24 -36.75 32.46 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.314 -0.867 . . . . 3.28 109.438 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.28 -44.01 97.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 1.78 109.7 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' D' ' 344' ' ' LEU . 72.0 mt -62.35 -46.2 89.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.38 109.584 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.41 -43.85 88.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.315 -0.866 . . . . 1.2 109.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.43 -39.26 94.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.352 -0.842 . . . . 2.12 110.033 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -53.43 58.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -0.886 . . . . 0.26 110.096 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.39 -39.52 90.99 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.333 -0.854 . . . . 0.4 109.782 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.07 -37.47 82.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 2.09 109.883 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' D' ' 354' ' ' GLN . 28.0 tp -64.5 -43.36 94.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 0.75 109.881 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.46 -44.97 92.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.386 -0.821 . . . . 2.19 109.021 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.75 -36.31 71.9 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.616 -0.677 . . . . 1.34 109.696 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.13 72.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.851 . . . . 0.72 109.908 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' D' ' 350' ' ' LEU . 5.3 mt-30 -82.66 -8.92 59.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.12 -0.988 . . . . 1.8 109.633 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.89 -5.3 37.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 1.39 109.474 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 18.91 26.63 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 110.046 -1.221 . . . . 1.66 110.046 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -86.16 115.09 23.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.069 -1.254 . . . . 4.45 109.373 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 152.9 3.22 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.209 -0.932 . . . . 6.19 109.666 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.73 150.93 80.06 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.248 1.966 . . . . 5.58 110.294 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 117.954 -1.47 . . . . 6.9 109.511 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.407 ' C ' ' HG3' ' D' ' 320' ' ' LYS . 13.2 mmtm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.515 -0.55 . . . . 7.36 109.515 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' D' ' 319' ' ' LYS . 8.2 mtpt 56.23 92.62 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.301 -0.875 . . . . 7.15 109.398 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 50.9 mttt 55.75 67.29 3.05 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.0 . . . . 6.5 109.13 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -66.58 -3.19 8.7 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.289 1.993 . . . . 4.5 111.043 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.61 96.41 8.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.929 -1.107 . . . . 4.32 109.492 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' B' ' 333' ' ' ARG . 3.5 m-20 -82.91 -162.55 0.61 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.421 -0.8 . . . . 2.46 109.467 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 -179.82 20.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.458 -1.457 . . . . 0.97 109.458 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.27 136.25 57.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.222 -1.163 . . . . 1.67 109.562 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -93.16 161.67 14.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.61 109.462 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.86 -171.6 3.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.56 109.426 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.1 p -155.0 152.66 29.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.94 . . . . 0.43 109.625 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.79 15.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.35 109.398 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 13.8 tt0 -86.36 135.1 33.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.37 109.497 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 341' ' ' PHE . 27.9 mt -123.9 115.34 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.48 109.325 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.445 ' HD2' ' HB3' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.81 141.71 46.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.279 -0.888 . . . . 2.08 109.615 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.58 133.76 8.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -70.67 -50.73 33.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.364 -1.08 . . . . 2.64 109.381 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.51 90.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.22 109.584 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' CG ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.7 -44.89 86.2 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.157 -0.965 . . . . 2.74 109.933 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.666 ' HD1' HD12 ' D' ' 332' ' ' ILE . 26.0 t80 -55.32 -58.75 6.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.43 109.665 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -50.89 -35.06 30.91 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 1.69 109.961 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.61 -52.37 57.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.543 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.9 m-85 -61.01 -54.38 45.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.145 -0.972 . . . . 0.27 109.325 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.3 -36.75 33.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.393 -0.817 . . . . 2.45 109.438 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.23 -44.08 97.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.212 -0.93 . . . . 1.75 109.706 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' C' ' 344' ' ' LEU . 72.7 mt -62.28 -46.13 90.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.31 109.712 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.5 -43.75 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 1.22 109.91 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -39.16 93.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.333 -0.854 . . . . 1.73 110.071 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -53.48 57.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.28 110.087 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.36 -39.65 91.38 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.223 -0.923 . . . . 0.31 109.728 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.85 -37.58 82.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.232 -0.918 . . . . 1.91 109.937 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' C' ' 354' ' ' GLN . 28.0 tp -64.54 -43.31 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.43 109.816 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.41 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.2 ttmt -63.6 -45.06 92.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.294 -0.879 . . . . 1.57 108.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.57 -36.36 71.59 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.371 0.605 . . . . 1.44 109.655 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.09 72.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.64 109.876 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' C' ' 350' ' ' LEU . 5.4 mt-30 -82.71 -8.95 59.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.127 -0.983 . . . . 1.21 109.653 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.82 -5.38 37.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.165 -0.959 . . . . 1.22 109.449 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.4 18.84 26.76 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.059 -1.217 . . . . 1.5 110.059 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -86.11 115.2 23.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.08 -1.247 . . . . 4.18 109.356 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 152.91 3.27 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 5.67 109.624 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.78 150.83 80.86 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.208 1.939 . . . . 5.65 110.297 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.013 -1.437 . . . . 7.27 109.53 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.518 -0.549 . . . . 7.33 109.518 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 319' ' ' LYS . 2.5 ttmt 61.45 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 7.21 109.538 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp 59.8 89.56 0.1 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.268 -0.895 . . . . 6.47 109.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.71 -154.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.297 1.998 . . . . 4.53 110.258 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.69 111.69 17.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.975 . . . . 4.35 109.409 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.82 -91.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.933 . . . . 2.48 109.597 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 148.57 47.66 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.786 -1.325 . . . . 0.98 109.786 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.4 136.25 57.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -1.089 . . . . 1.7 109.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -94.3 157.9 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.61 109.541 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.96 -171.78 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.182 -0.949 . . . . 0.58 109.435 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.518 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.5 p -153.37 161.02 42.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -0.931 . . . . 0.42 109.512 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.22 131.91 16.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.36 109.489 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.87 132.39 34.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.893 . . . . 1.37 109.583 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' A' ' 338' ' ' PHE . 36.1 mt -123.8 121.76 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.9 . . . . 0.47 109.248 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.16 151.47 41.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.163 -0.961 . . . . 2.1 109.537 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.88 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.76 -1.336 . . . . 0.42 109.76 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.7 ttt180 -81.07 -48.54 12.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -1.14 . . . . 2.68 109.416 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.71 -46.66 84.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.236 -0.915 . . . . 2.22 109.203 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.779 HH12 HD22 ' C' ' 348' ' ' LEU . 7.3 tpp180 -62.45 -42.27 99.35 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.233 -0.917 . . . . 2.77 109.322 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' A' ' 332' ' ' ILE . 57.1 t80 -54.09 -49.44 69.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.367 -0.833 . . . . 0.43 109.508 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.07 -37.07 52.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 1.66 109.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 14.4 ttp -62.5 -46.69 87.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.242 -0.912 . . . . 0.44 109.965 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -61.34 -54.35 44.92 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.223 -0.923 . . . . 0.29 109.232 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.5 -34.96 27.12 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.463 -0.773 . . . . 2.44 109.415 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 340' ' ' MET . 11.3 tt0 -59.89 -49.86 76.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 1.74 109.578 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' B' ' 344' ' ' LEU . 90.9 mt -61.0 -34.6 75.07 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.3 108.813 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.55 ' HB2' HD21 ' C' ' 330' ' ' LEU . 54.2 t30 -58.88 -53.88 53.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.433 -0.792 . . . . 1.22 109.662 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.54 -36.4 80.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 1.72 110.046 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.56 -53.18 61.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.285 -0.885 . . . . 0.27 110.035 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.685 HD22 HH12 ' C' ' 337' ' ' ARG . 46.8 mt -61.08 -41.26 96.33 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.359 -0.838 . . . . 0.29 109.533 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.64 -35.26 77.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.166 -0.959 . . . . 1.91 109.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.06 -52.61 58.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.41 109.547 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . 27.1 ttmt -60.84 -43.33 98.45 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.484 -0.76 . . . . 1.56 109.421 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.5 -36.24 73.49 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.661 -0.649 . . . . 1.43 110.063 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.48 73.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.66 109.596 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.45 -10.82 58.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.924 . . . . 1.18 109.55 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.8 61.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 1.23 109.561 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 9.37 67.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.753 -1.339 . . . . 1.54 109.753 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.19 104.98 16.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.249 . . . . 4.18 109.802 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 358' ' ' GLU . 3.3 pt-20 -49.01 113.24 2.93 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.327 -0.858 . . . . 5.71 109.255 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.65 116.89 3.57 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.999 1.799 . . . . 5.61 110.408 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 CA-C-O 117.962 -1.466 . . . . 7.24 109.507 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 320' ' ' LYS . 14.6 mtmt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.313 0.578 . . . . 7.34 109.544 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 2.5 ttmt 61.43 148.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 7.17 109.487 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 9.7 mtpp 59.87 89.46 0.11 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.195 -0.941 . . . . 6.44 109.395 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.75 -154.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.244 1.963 . . . . 4.54 110.222 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.63 111.59 17.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 4.32 109.473 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.76 -91.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 2.47 109.541 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.17 148.62 47.85 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.814 -1.314 . . . . 0.95 109.814 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.44 136.2 57.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -1.053 . . . . 1.61 109.532 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.22 157.93 15.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.57 109.538 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.98 -171.76 3.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.206 -0.934 . . . . 0.53 109.503 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 4.6 p -153.28 161.25 42.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.38 109.58 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.52 131.69 16.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.908 . . . . 0.36 109.487 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.9 tt0 -85.61 132.45 34.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 1.36 109.63 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.0 mt -123.83 121.67 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.49 109.337 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.14 151.42 41.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 2.1 109.544 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.8 1.9 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.8 ttt180 -80.9 -48.69 12.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.24 -1.153 . . . . 2.72 109.36 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.326 -0.859 . . . . 2.21 109.197 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.701 HH12 HD22 ' D' ' 348' ' ' LEU . 7.3 tpp180 -62.51 -42.13 99.3 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.341 -0.849 . . . . 2.79 109.351 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 332' ' ' ILE . 56.4 t80 -54.21 -49.37 69.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.402 -0.811 . . . . 0.45 109.416 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.03 -37.07 52.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 1.68 109.82 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 14.4 ttp -62.53 -46.72 87.12 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.244 -0.91 . . . . 0.43 109.964 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.567 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.2 m-85 -61.43 -54.32 45.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.233 -0.917 . . . . 0.28 109.226 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.41 -35.02 26.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 2.52 109.489 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' B' ' 340' ' ' MET . 11.2 tt0 -59.84 -49.85 76.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 1.75 109.54 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 344' ' ' LEU . 89.7 mt -61.14 -34.67 75.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.3 -0.875 . . . . 0.31 108.648 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.531 ' HB2' HD21 ' D' ' 330' ' ' LEU . 54.2 t30 -58.74 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 1.21 109.641 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.57 -36.48 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.349 -0.845 . . . . 1.69 109.94 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -53.1 61.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.237 -0.915 . . . . 0.27 109.991 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.835 HD22 HH12 ' D' ' 337' ' ' ARG . 45.6 mt -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.372 -0.83 . . . . 0.3 109.594 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.84 -35.31 77.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.194 -0.941 . . . . 1.93 109.822 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 27.3 tp -64.07 -52.56 58.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.191 -0.943 . . . . 0.4 109.602 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.83 -43.32 98.42 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.406 -0.809 . . . . 1.59 109.459 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.6 -36.11 73.5 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.662 -0.649 . . . . 1.43 110.02 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.56 74.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.65 109.503 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -83.36 -10.88 58.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 1.19 109.475 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.77 61.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.162 -0.961 . . . . 1.22 109.615 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 9.41 67.37 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.77 -1.332 . . . . 1.53 109.77 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.22 104.98 16.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.145 -1.209 . . . . 4.21 109.775 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 358' ' ' GLU . 3.3 pt-20 -48.92 113.27 2.92 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.88 . . . . 5.68 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -58.72 116.87 3.56 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.2 1.933 . . . . 5.57 110.3 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 109.528 -1.429 . . . . 7.2 109.528 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.274 0.559 . . . . 8.96 109.509 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 319' ' ' LYS . 2.5 ttmt 61.49 148.85 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 8.15 109.466 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 9.7 mtpp 59.76 89.5 0.11 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 7.15 109.417 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -59.56 -154.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.281 1.987 . . . . 4.35 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.64 111.6 17.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 4.63 109.45 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.66 -91.96 0.05 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 2.85 109.614 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.06 148.55 47.92 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.92 -1.272 . . . . 1.12 109.92 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.37 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -1.067 . . . . 2.11 109.579 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -94.29 157.89 15.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.64 109.497 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -139.03 -171.72 3.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.49 109.497 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 4.6 p -153.3 161.33 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.91 . . . . 0.47 109.497 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.62 131.75 16.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.347 -0.846 . . . . 0.42 109.436 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.9 tt0 -85.79 132.52 34.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 1.81 109.547 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.2 mt -123.95 121.69 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.42 109.256 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.17 151.43 41.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.234 -0.916 . . . . 2.35 109.509 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.44 135.79 1.91 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.749 -1.34 . . . . 0.41 109.749 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.8 ttt180 -80.95 -48.65 12.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -1.071 . . . . 2.59 109.36 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.69 -46.63 84.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.298 -0.877 . . . . 2.54 109.296 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.685 HH12 HD22 ' A' ' 348' ' ' LEU . 7.4 tpp180 -62.48 -42.11 99.25 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.249 -0.907 . . . . 3.39 109.387 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' C' ' 332' ' ' ILE . 56.3 t80 -54.22 -49.32 69.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.47 109.433 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.09 -37.12 52.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -0.822 . . . . 1.66 109.78 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 14.6 ttp -62.41 -46.91 86.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.236 -0.915 . . . . 0.61 109.906 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.571 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.2 m-85 -61.3 -54.29 45.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.133 -0.979 . . . . 0.33 109.284 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.47 -35.08 27.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.384 -0.823 . . . . 3.28 109.341 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.431 ' HG3' ' NZ ' ' D' ' 351' ' ' LYS . 11.4 tt0 -59.79 -49.96 75.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.188 -0.945 . . . . 1.78 109.54 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' D' ' 344' ' ' LEU . 90.3 mt -60.96 -34.67 75.11 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.177 -0.952 . . . . 0.38 108.779 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' A' ' 330' ' ' LEU . 54.3 t30 -58.73 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.332 -0.855 . . . . 1.2 109.662 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -36.53 81.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 2.12 109.961 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.35 -53.33 59.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.188 -0.945 . . . . 0.26 110.079 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.779 HD22 HH12 ' A' ' 337' ' ' ARG . 46.2 mt -61.06 -41.27 96.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 0.4 109.602 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -35.29 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.008 . . . . 2.09 109.877 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.442 HD11 ' OE1' ' D' ' 354' ' ' GLN . 27.2 tp -64.07 -52.65 58.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.75 109.506 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 27.1 ttmt -60.81 -43.43 98.19 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.317 -0.864 . . . . 2.19 109.413 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.56 -36.1 73.39 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.586 -0.696 . . . . 1.34 110.119 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.53 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.163 -0.961 . . . . 0.72 109.544 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.442 ' OE1' HD11 ' D' ' 350' ' ' LEU . 45.3 mt-30 -83.41 -10.97 58.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 1.8 109.464 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.61 -26.74 61.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 1.39 109.618 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.29 9.42 67.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.797 -1.321 . . . . 1.66 109.797 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.24 105.06 16.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -1.168 . . . . 4.45 109.7 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 358' ' ' GLU . 3.3 pt-20 -48.92 113.33 2.97 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.272 -0.892 . . . . 6.19 109.295 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -58.78 116.85 3.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.106 1.87 . . . . 5.58 110.355 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 118.002 -1.443 . . . . 6.9 109.549 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' D' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.459 -0.571 . . . . 7.36 109.459 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' D' ' 319' ' ' LYS . 2.5 ttmt 61.36 148.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 7.15 109.495 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 9.7 mtpp 59.8 89.53 0.1 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.346 -0.846 . . . . 6.5 109.362 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.7 -154.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.291 1.994 . . . . 4.5 110.191 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.69 111.59 17.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 4.32 109.46 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.82 -91.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 2.46 109.587 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 148.61 47.74 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.763 -1.335 . . . . 0.97 109.763 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.48 136.11 57.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.429 -1.042 . . . . 1.67 109.542 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -94.04 157.95 15.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 0.61 109.489 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.1 m-85 -138.92 -171.77 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.069 -1.019 . . . . 0.56 109.461 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 4.5 p -153.18 161.27 42.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.159 -0.963 . . . . 0.43 109.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.43 131.7 16.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.35 109.517 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.9 tt0 -85.69 132.37 34.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.37 109.607 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.69 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.8 mt -123.84 121.79 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.48 109.27 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.19 151.45 41.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 2.08 109.601 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.79 1.9 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.793 -1.323 . . . . 0.4 109.793 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.7 ttt180 -80.82 -48.71 12.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -1.112 . . . . 2.64 109.48 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.77 -46.55 84.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.204 -0.935 . . . . 2.22 109.223 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.835 HH12 HD22 ' B' ' 348' ' ' LEU . 7.4 tpp180 -62.44 -42.28 99.34 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.194 -0.941 . . . . 2.74 109.276 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.69 ' CD1' HD12 ' D' ' 332' ' ' ILE . 56.9 t80 -54.11 -49.48 69.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.805 . . . . 0.43 109.422 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -51.97 -37.05 51.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.287 -0.883 . . . . 1.69 109.772 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 14.6 ttp -62.59 -46.73 86.97 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.076 -1.015 . . . . 0.43 109.885 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.41 -54.27 45.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.132 -0.98 . . . . 0.27 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -50.5 -35.02 27.32 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.448 -0.782 . . . . 2.45 109.399 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 11.3 tt0 -59.79 -49.96 75.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 1.75 109.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' C' ' 344' ' ' LEU . 90.8 mt -60.99 -34.66 75.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.306 -0.871 . . . . 0.31 108.764 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' B' ' 330' ' ' LEU . 54.2 t30 -58.73 -53.93 52.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.37 -0.832 . . . . 1.22 109.674 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.68 -36.39 80.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.83 . . . . 1.73 109.928 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.42 -53.29 59.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.277 -0.889 . . . . 0.28 110.068 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.701 HD22 HH12 ' B' ' 337' ' ' ARG . 47.2 mt -61.1 -41.2 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.31 109.502 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.63 -35.28 77.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.062 -1.024 . . . . 1.91 109.879 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.442 HD11 ' OE1' ' C' ' 354' ' ' GLN . 27.3 tp -64.06 -52.72 58.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.43 109.563 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.431 ' NZ ' ' HG3' ' C' ' 343' ' ' GLU . 27.0 ttmt -60.69 -43.53 97.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.264 -0.897 . . . . 1.57 109.424 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.45 -36.1 73.14 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.669 -0.644 . . . . 1.44 110.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.51 74.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.64 109.529 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.442 ' OE1' HD11 ' C' ' 350' ' ' LEU . 45.3 mt-30 -83.42 -10.9 58.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.176 -0.952 . . . . 1.21 109.448 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.65 -26.71 61.75 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 1.22 109.657 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 9.35 67.39 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.748 -1.341 . . . . 1.5 109.748 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.2 104.87 16.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -1.22 . . . . 4.18 109.817 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' D' ' 358' ' ' GLU . 3.3 pt-20 -49.02 113.31 2.98 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 5.67 109.32 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.66 116.84 3.53 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.118 1.878 . . . . 5.65 110.43 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.986 -1.452 . . . . 7.27 109.616 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttt . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.242 0.544 . . . . 7.33 109.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 60.76 -89.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 7.21 109.711 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.13 141.1 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.944 . . . . 6.47 109.513 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -63.38 -81.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.035 1.824 . . . . 4.53 110.459 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.85 104.89 12.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.952 . . . . 4.35 109.549 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.09 -159.67 0.32 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.848 . . . . 2.48 109.321 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 158.11 52.99 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.404 -1.478 . . . . 0.98 109.404 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.48 136.97 57.64 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -1.174 . . . . 1.7 109.464 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.74 155.94 16.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.88 . . . . 0.61 109.581 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.15 -170.21 2.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.58 109.49 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 29.0 p -154.2 158.61 40.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.42 109.554 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.76 129.13 13.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.36 109.53 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.14 129.49 34.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.261 -0.899 . . . . 1.37 109.62 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 341' ' ' PHE . 35.1 mt -124.03 121.27 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.07 -1.019 . . . . 0.47 109.396 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.68 150.5 41.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.1 109.668 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.67 134.43 6.31 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.83 -1.308 . . . . 0.42 109.83 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.9 ttm180 -79.4 -54.91 5.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 2.68 109.331 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.0 -41.81 88.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 2.22 109.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.68 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.2 tpp180 -62.45 -44.21 96.97 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.334 -0.853 . . . . 2.77 109.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' C' ' 329' ' ' THR . 78.4 t80 -55.1 -48.69 73.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.43 109.55 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.99 -36.99 51.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.66 109.929 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.1 ttp -62.82 -46.29 88.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.193 -0.942 . . . . 0.44 109.925 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.1 m-85 -61.26 -50.42 73.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.29 109.187 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.21 59.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.431 -0.793 . . . . 2.44 109.631 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.92 -49.04 78.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.081 -1.012 . . . . 1.74 109.637 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' B' ' 344' ' ' LEU . 95.1 mt -61.7 -33.12 73.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.3 108.95 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.22 60.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.323 -0.86 . . . . 1.22 109.501 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.13 78.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.364 -0.835 . . . . 1.72 110.075 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.27 -51.88 67.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.27 109.919 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.703 HD22 HH12 ' C' ' 337' ' ' ARG . 53.9 mt -61.8 -43.14 99.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.304 -0.873 . . . . 0.29 109.585 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.5 -34.52 72.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.91 109.573 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 350' ' ' LEU . 13.4 tp -64.61 -44.65 89.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.41 109.452 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.99 -46.84 87.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 1.56 109.102 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.54 -33.48 66.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.627 -0.671 . . . . 1.43 109.666 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.84 73.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.66 109.662 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.39 -4.41 55.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.18 109.699 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -7.41 48.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 1.23 109.822 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.78 -13.05 70.53 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.724 -1.351 . . . . 1.54 109.724 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 46.85 1.43 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.086 -1.244 . . . . 4.18 109.52 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 127.01 24.0 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 5.71 109.504 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.35 146.08 97.62 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.983 1.789 . . . . 5.61 110.351 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.02 -1.433 . . . . 7.24 109.573 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.564 -0.532 . . . . 7.34 109.564 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 60.85 -89.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 7.17 109.626 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.17 141.09 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 6.44 109.52 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.5 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 122.05 1.834 . . . . 4.54 110.395 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.1 mt -81.84 104.74 12.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.172 -0.955 . . . . 4.32 109.573 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -82.0 -159.84 0.32 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.436 -0.79 . . . . 2.47 109.367 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 158.08 52.76 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.396 -1.481 . . . . 0.95 109.396 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.46 137.11 57.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -1.112 . . . . 1.61 109.475 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -93.87 155.91 16.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.57 109.578 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.5 m-85 -139.18 -170.23 2.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.53 109.43 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.462 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 29.2 p -154.21 158.6 40.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.38 109.528 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.7 129.17 13.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.36 109.52 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -87.13 129.63 34.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 1.36 109.651 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' B' ' 341' ' ' PHE . 34.6 mt -124.17 121.22 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.49 109.324 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.59 150.51 41.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.1 109.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.6 134.45 6.28 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.797 -1.321 . . . . 0.44 109.797 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.9 ttm180 -79.36 -54.97 5.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 2.72 109.41 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.88 -42.05 88.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.473 -0.767 . . . . 2.21 109.603 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.534 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.2 tpp180 -62.08 -44.34 96.88 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.244 -0.91 . . . . 2.79 109.286 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' D' ' 329' ' ' THR . 78.2 t80 -55.1 -48.69 73.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.491 -0.756 . . . . 0.45 109.571 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.01 -36.93 51.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 1.68 110.028 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.79 -46.37 88.32 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.191 -0.943 . . . . 0.43 109.92 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.625 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.6 m-85 -61.1 -50.52 72.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.28 109.249 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.14 59.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.383 -0.823 . . . . 2.52 109.644 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.96 -49.12 77.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -0.968 . . . . 1.75 109.61 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' A' ' 344' ' ' LEU . 94.9 mt -61.49 -33.31 73.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.132 -0.98 . . . . 0.31 108.97 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.94 -53.28 59.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 1.21 109.458 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.18 78.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.362 -0.836 . . . . 1.69 109.959 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -51.85 67.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.27 109.992 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.648 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.81 -43.23 99.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 0.3 109.59 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.59 -34.4 72.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.93 109.593 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 350' ' ' LEU . 13.4 tp -64.57 -44.68 89.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.4 109.477 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -62.01 -46.8 87.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.461 -0.774 . . . . 1.59 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.66 -33.48 66.41 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.464 -0.772 . . . . 1.43 109.619 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -46.78 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.65 109.584 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.42 -4.35 55.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 1.19 109.809 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.99 -7.5 49.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.129 -0.982 . . . . 1.22 109.827 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -13.08 70.83 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.736 -1.346 . . . . 1.53 109.736 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 46.8 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -1.216 . . . . 4.21 109.558 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.37 126.88 22.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.134 -0.979 . . . . 5.68 109.602 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.12 146.04 98.08 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.032 1.821 . . . . 5.57 110.396 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 118.008 -1.44 . . . . 7.2 109.548 179.834 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.48 -0.563 . . . . 8.96 109.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 60.78 -89.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 8.15 109.663 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.2 141.19 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 7.15 109.452 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.52 -81.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.072 1.848 . . . . 4.35 110.359 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.92 104.82 12.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.089 -1.007 . . . . 4.63 109.556 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -81.89 -159.78 0.31 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.85 109.473 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 157.99 52.91 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.456 -1.458 . . . . 1.12 109.456 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.39 137.02 57.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -1.143 . . . . 2.11 109.544 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.71 155.92 16.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.346 -0.846 . . . . 0.64 109.486 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.8 m-85 -139.03 -170.17 2.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.49 109.485 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 29.6 p -154.26 158.57 40.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.47 109.652 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.68 129.11 13.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.855 . . . . 0.42 109.58 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.18 129.5 34.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.869 . . . . 1.81 109.664 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' C' ' 341' ' ' PHE . 34.5 mt -123.99 121.24 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.42 109.381 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.61 150.51 41.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 2.35 109.707 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.73 134.31 6.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.9 ttm180 -79.29 -55.02 5.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -1.151 . . . . 2.59 109.395 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.0 -41.91 88.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 2.54 109.591 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.703 HH12 HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -62.02 -44.49 96.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.33 -0.856 . . . . 3.39 109.322 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -55.13 -48.66 73.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.808 . . . . 0.47 109.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.94 -37.03 51.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.66 109.98 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.75 -46.34 88.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.221 -0.924 . . . . 0.61 109.961 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.14 -50.52 72.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.253 -0.904 . . . . 0.33 109.26 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.53 -40.22 59.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.395 -0.816 . . . . 3.28 109.581 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.93 -49.09 77.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.78 109.61 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' D' ' 344' ' ' LEU . 94.9 mt -61.59 -33.22 73.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.38 108.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.406 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.99 -53.16 61.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.435 -0.791 . . . . 1.2 109.515 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 0.4 OUTLIER -62.49 -35.23 78.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.413 -0.804 . . . . 2.12 110.003 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.17 -51.71 68.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.26 110.052 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.68 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.3 mt -61.96 -43.1 99.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.4 109.547 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.5 -34.49 72.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.368 -0.833 . . . . 2.09 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' C' ' 350' ' ' LEU . 13.4 tp -64.66 -44.69 89.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.352 -0.843 . . . . 0.75 109.403 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.87 -46.92 87.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -0.858 . . . . 2.19 109.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.59 -33.44 66.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.582 -0.699 . . . . 1.34 109.676 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.88 73.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.378 -0.826 . . . . 0.72 109.612 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.402 ' OE1' HD21 ' D' ' 350' ' ' LEU . 7.0 mt-30 -81.4 -4.42 55.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.8 109.694 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -7.52 49.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.084 -1.01 . . . . 1.39 109.844 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 -12.96 70.83 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.77 -1.332 . . . . 1.66 109.77 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.72 46.94 1.44 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -1.165 . . . . 4.45 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.39 126.95 22.94 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.119 -0.988 . . . . 6.19 109.52 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.29 146.05 97.77 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.968 1.779 . . . . 5.58 110.371 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.587 -1.405 . . . . 6.9 109.587 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.324 0.583 . . . . 7.36 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 60.77 -89.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.265 -0.897 . . . . 7.15 109.663 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.24 141.0 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 6.5 109.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.46 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.031 1.821 . . . . 4.5 110.348 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.87 104.86 12.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 4.32 109.535 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.03 -159.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 2.46 109.407 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 158.13 52.95 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.308 -1.517 . . . . 0.97 109.308 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.49 137.02 57.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.237 -1.154 . . . . 1.67 109.49 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -93.76 155.92 16.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.61 109.575 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.8 m-85 -139.13 -169.96 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.56 109.504 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.517 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 28.8 p -154.39 158.59 40.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.153 -0.967 . . . . 0.43 109.482 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -148.72 129.24 13.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.35 109.496 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.7 tt0 -87.23 129.56 34.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.37 109.625 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.624 HD13 ' CD2' ' D' ' 341' ' ' PHE . 34.5 mt -124.04 121.26 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.163 -0.961 . . . . 0.48 109.341 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 150.56 41.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 2.08 109.75 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.69 134.36 6.29 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.836 -1.306 . . . . 0.4 109.836 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.8 ttm180 -79.41 -54.9 5.48 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.332 -1.099 . . . . 2.64 109.376 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -58.92 -41.94 88.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.421 -0.8 . . . . 2.22 109.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.648 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.2 tpp180 -62.25 -44.27 96.93 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.288 -0.883 . . . . 2.74 109.279 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' B' ' 329' ' ' THR . 78.0 t80 -55.11 -48.72 73.23 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.818 . . . . 0.43 109.555 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.85 -37.1 50.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.34 -0.85 . . . . 1.69 109.96 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.74 -46.27 88.85 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.171 -0.956 . . . . 0.43 109.98 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.624 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.3 m-85 -61.24 -50.56 72.55 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.142 -0.974 . . . . 0.27 109.142 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -51.52 -40.28 59.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.446 -0.784 . . . . 2.45 109.55 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.8 -49.11 77.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.75 109.654 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' C' ' 344' ' ' LEU . 94.9 mt -61.6 -33.24 73.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.224 -0.922 . . . . 0.31 109.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.89 -53.21 60.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.382 -0.824 . . . . 1.22 109.551 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -34.95 77.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 1.73 110.03 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -51.81 67.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.28 109.98 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.534 HD22 ' NH1' ' B' ' 337' ' ' ARG . 53.3 mt -61.78 -43.21 99.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.381 -0.824 . . . . 0.31 109.565 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -59.49 -34.46 72.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 1.91 109.587 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' D' ' 350' ' ' LEU . 13.4 tp -64.7 -44.6 89.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.43 109.527 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 36.5 ttmt -61.88 -46.93 87.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 1.57 109.114 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.55 -33.52 66.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.464 -0.773 . . . . 1.44 109.679 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.76 73.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.64 109.611 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -81.51 -4.35 55.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 1.21 109.74 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -7.51 48.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.22 109.826 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.75 -13.04 70.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.678 -1.369 . . . . 1.5 109.678 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 46.98 1.44 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.136 -1.214 . . . . 4.18 109.559 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.51 127.03 23.78 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 5.67 109.496 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.39 146.13 97.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.905 1.737 . . . . 5.65 110.377 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.969 -1.462 . . . . 7.27 109.592 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.471 -0.566 . . . . 7.33 109.471 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 28.2 mttt 57.92 25.11 11.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 7.21 109.58 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.48 90.36 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 6.47 109.454 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -67.38 -3.71 10.51 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.128 1.886 . . . . 4.53 110.546 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -85.75 61.46 6.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 4.35 109.427 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -78.58 179.08 7.31 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.48 -0.763 . . . . 2.48 109.651 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.533 ' HA3' ' CZ ' ' C' ' 333' ' ' ARG . . . -68.15 169.17 40.1 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.98 109.532 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.96 134.97 57.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.051 . . . . 1.7 109.694 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.1 m-85 -92.89 159.6 15.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.61 109.261 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -139.11 -171.81 3.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.094 -1.004 . . . . 0.58 109.756 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 10.8 p -153.14 158.74 42.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.42 109.511 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -147.75 132.52 17.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.36 109.387 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.1 tt0 -85.94 133.41 33.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.37 109.423 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.6 mt -123.95 117.72 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.47 109.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.472 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.82 133.52 43.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.1 109.551 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.419 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 101.7 129.92 6.85 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.763 -1.335 . . . . 0.42 109.763 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -77.27 -51.23 11.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 2.68 109.232 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.62 -45.83 88.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.414 -0.804 . . . . 2.22 109.278 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.987 ' NH1' HD13 ' C' ' 348' ' ' LEU . 9.8 tpp180 -62.28 -40.94 97.91 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 108.909 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 332' ' ' ILE . 73.3 t80 -55.68 -47.37 76.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.364 -0.835 . . . . 0.43 109.5 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.51 -40.5 59.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 1.66 109.824 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.03 -44.95 95.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.44 110.264 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.491 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.33 -54.58 41.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.29 109.485 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.09 -37.49 34.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.335 -0.853 . . . . 2.44 109.597 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -45.27 95.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.74 109.827 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' B' ' 344' ' ' LEU . 63.3 mt -61.78 -43.64 98.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.3 109.616 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.454 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.7 t-20 -58.16 -46.2 86.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 1.22 109.804 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.95 -37.51 87.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 1.72 109.967 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.81 -51.73 68.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.27 109.988 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.929 HD13 ' NH1' ' C' ' 337' ' ' ARG . 69.5 mt -61.27 -42.75 99.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.314 -0.866 . . . . 0.29 109.937 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.15 -37.55 80.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.28 -0.888 . . . . 1.91 109.636 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.75 -41.62 95.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.41 109.354 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -45.97 91.16 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.769 0.795 . . . . 1.56 109.145 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.23 -31.06 61.19 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.706 -0.621 . . . . 1.43 109.594 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.21 85.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.855 . . . . 0.66 109.378 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.484 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.0 mt-30 -81.69 -2.88 52.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.18 109.42 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -63.97 0.99 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.146 -0.971 . . . . 1.23 109.597 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.87 69.78 3.25 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.525 -1.43 . . . . 1.54 109.525 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 357' ' ' LYS . 4.7 tttt -87.3 5.35 38.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.262 -1.14 . . . . 4.18 109.682 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 1.8 tt0 -50.59 145.99 10.17 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.237 -0.914 . . . . 5.71 109.54 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.459 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 2.0 Cg_endo -63.13 155.48 60.98 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.111 1.874 . . . . 5.61 110.193 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 7.24 109.495 179.806 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.306 0.574 . . . . 7.34 109.526 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 57.98 25.25 12.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 7.17 109.53 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.31 90.45 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 6.44 109.506 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.51 -3.59 10.42 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.093 1.862 . . . . 4.54 110.535 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -85.74 61.38 6.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.012 -1.055 . . . . 4.32 109.41 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -78.69 178.78 7.59 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.429 -0.794 . . . . 2.47 109.723 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' D' ' 333' ' ' ARG . . . -67.71 168.92 38.89 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.605 -1.398 . . . . 0.95 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.88 134.96 57.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -1.13 . . . . 1.61 109.715 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.61 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.57 109.2 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -139.02 -171.75 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.53 109.765 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 10.6 p -153.18 158.72 42.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.38 109.447 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -147.79 132.43 17.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.273 -0.892 . . . . 0.36 109.474 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.1 tt0 -85.86 133.41 33.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.902 . . . . 1.36 109.504 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.664 HD12 ' CD1' ' B' ' 338' ' ' PHE . 35.7 mt -123.96 117.77 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 0.49 109.532 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.484 ' CZ ' ' HA3' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -73.87 133.56 43.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 2.1 109.449 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.42 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 101.64 129.86 6.83 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -77.21 -51.14 11.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -1.15 . . . . 2.72 109.304 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.8 -45.73 89.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.4 -0.812 . . . . 2.21 109.239 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.903 ' NH1' HD13 ' D' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.84 97.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.359 -0.838 . . . . 2.79 108.979 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.664 ' CD1' HD12 ' B' ' 332' ' ' ILE . 73.8 t80 -55.56 -47.57 76.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.43 -0.794 . . . . 0.45 109.503 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.4 -40.6 59.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.443 -0.786 . . . . 1.68 109.815 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.97 -45.03 95.44 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.297 -0.877 . . . . 0.43 110.174 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.484 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.9 m-85 -61.36 -54.39 44.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.996 . . . . 0.28 109.528 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.15 -37.43 34.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.372 -0.83 . . . . 2.52 109.633 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -45.28 95.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 1.75 109.745 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' A' ' 344' ' ' LEU . 63.5 mt -61.77 -43.61 98.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.31 109.614 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.8 t-20 -58.31 -46.16 86.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 1.21 109.776 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.47 87.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.331 -0.855 . . . . 1.69 110.022 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.93 -51.59 68.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.27 110.002 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.967 HD13 ' NH1' ' D' ' 337' ' ' ARG . 69.6 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 0.3 109.858 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.43 79.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.895 . . . . 1.93 109.813 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.66 -41.87 95.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.4 109.263 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 350' ' ' LEU . 0.3 OUTLIER -61.98 -46.23 90.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 1.59 109.086 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.12 -30.83 60.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.646 . . . . 1.43 109.723 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.28 85.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.863 . . . . 0.65 109.362 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.58 -2.96 51.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 1.19 109.489 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.5 -64.12 0.96 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 1.22 109.551 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.71 69.67 3.26 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.602 -1.399 . . . . 1.53 109.602 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' B' ' 357' ' ' LYS . 4.6 tttt -87.3 5.4 38.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.294 -1.121 . . . . 4.21 109.685 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 1.8 tt0 -50.68 145.95 10.47 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 5.68 109.486 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.459 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 2.0 Cg_endo -63.06 155.49 60.65 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.121 1.881 . . . . 5.57 110.276 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 CA-C-O 117.996 -1.446 . . . . 7.2 109.607 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.52 -0.548 . . . . 8.96 109.52 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 28.0 mttt 57.92 25.3 11.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.279 -0.888 . . . . 8.15 109.514 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.31 90.47 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.161 -0.962 . . . . 7.15 109.447 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -67.39 -3.8 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.173 1.916 . . . . 4.35 110.529 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.8 mt -85.67 61.31 6.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 4.63 109.403 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -78.48 178.95 7.35 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.474 -0.766 . . . . 2.85 109.785 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 333' ' ' ARG . . . -67.96 169.01 39.64 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.549 -1.42 . . . . 1.12 109.549 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.92 135.01 57.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.33 -1.1 . . . . 2.11 109.752 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.02 159.67 15.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.94 . . . . 0.64 109.143 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.1 m-85 -139.11 -171.76 3.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 0.49 109.781 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 10.9 p -153.09 158.75 42.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.202 -0.936 . . . . 0.47 109.557 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -147.82 132.45 17.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 0.42 109.442 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.1 tt0 -85.8 133.36 33.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.867 . . . . 1.81 109.495 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.663 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.0 mt -123.92 117.89 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.42 109.511 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.533 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -73.95 133.56 43.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 2.35 109.505 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.423 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 101.66 129.86 6.83 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.911 -1.275 . . . . 0.41 109.911 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -77.2 -51.2 11.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.107 . . . . 2.59 109.276 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.7 -45.72 88.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 2.54 109.318 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.929 ' NH1' HD13 ' A' ' 348' ' ' LEU . 9.8 tpp180 -62.36 -40.92 97.99 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -0.905 . . . . 3.39 108.92 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' C' ' 332' ' ' ILE . 73.9 t80 -55.56 -47.47 76.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.47 109.534 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.37 -40.66 59.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.835 . . . . 1.66 109.877 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.95 -45.09 95.21 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.261 -0.899 . . . . 0.61 110.195 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.2 m-85 -61.18 -54.58 42.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.152 -0.967 . . . . 0.33 109.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.41 34.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.322 -0.861 . . . . 3.28 109.597 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.32 95.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 1.78 109.841 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' D' ' 344' ' ' LEU . 63.4 mt -61.81 -43.54 98.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.235 -0.915 . . . . 0.38 109.607 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.434 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.7 t-20 -58.28 -46.23 86.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.2 109.736 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.45 86.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 2.12 109.937 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.92 -51.62 68.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.26 110.007 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.987 HD13 ' NH1' ' A' ' 337' ' ' ARG . 69.9 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.262 -0.899 . . . . 0.4 109.826 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.47 79.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 2.09 109.765 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.72 -41.76 95.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 0.75 109.253 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -62.0 -46.13 90.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.423 -0.798 . . . . 2.19 109.171 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.21 -30.83 60.75 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.69 -0.631 . . . . 1.34 109.657 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.37 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -0.91 . . . . 0.72 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -81.59 -2.92 51.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.879 . . . . 1.8 109.505 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -64.18 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.39 109.572 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.6 69.63 3.26 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.652 -1.379 . . . . 1.66 109.652 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' C' ' 357' ' ' LYS . 4.6 tttt -87.38 5.54 38.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -1.114 . . . . 4.45 109.643 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.467 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 1.8 tt0 -50.64 146.08 10.16 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 6.19 109.471 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.467 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 2.0 Cg_endo -63.21 155.47 61.33 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.08 1.853 . . . . 5.58 110.26 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 118.031 -1.427 . . . . 6.9 109.549 179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.321 0.581 . . . . 7.36 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 57.78 25.39 11.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 7.15 109.458 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.37 90.33 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.3 -0.875 . . . . 6.5 109.481 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.45 -3.49 10.19 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.123 1.882 . . . . 4.5 110.549 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -85.86 61.4 6.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.032 -1.042 . . . . 4.32 109.414 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -78.64 178.86 7.5 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.485 -0.76 . . . . 2.46 109.597 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' B' ' 333' ' ' ARG . . . -67.9 169.01 39.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.569 -1.412 . . . . 0.97 109.569 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.87 134.96 57.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -1.178 . . . . 1.67 109.643 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.63 15.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -0.828 . . . . 0.61 109.181 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.9 m-85 -139.12 -171.73 3.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.56 109.703 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.0 p -153.16 158.6 42.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.43 109.569 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -147.68 132.54 18.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.302 -0.874 . . . . 0.35 109.41 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.9 133.43 33.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 1.37 109.539 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' D' ' 338' ' ' PHE . 35.7 mt -124.0 117.71 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.923 . . . . 0.48 109.486 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.484 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.79 133.53 43.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.08 109.457 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.427 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 101.58 129.91 6.85 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.889 -1.285 . . . . 0.4 109.889 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -77.24 -51.27 11.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -1.118 . . . . 2.64 109.321 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 2.22 109.25 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.967 ' NH1' HD13 ' B' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.92 97.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.264 -0.898 . . . . 2.74 108.936 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' D' ' 332' ' ' ILE . 73.6 t80 -55.61 -47.42 76.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.509 -0.745 . . . . 0.43 109.554 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.45 -40.52 59.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 1.69 109.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -61.97 -45.1 95.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.189 -0.944 . . . . 0.43 110.2 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.21 -54.58 42.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.118 -0.988 . . . . 0.27 109.468 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.31 34.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 2.45 109.682 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -45.25 95.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.923 . . . . 1.75 109.796 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' C' ' 344' ' ' LEU . 63.6 mt -61.74 -43.74 98.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.966 . . . . 0.31 109.552 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' B' ' 330' ' ' LEU . 55.9 t-20 -58.27 -46.16 86.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.324 -0.86 . . . . 1.22 109.789 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.94 -37.48 87.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.215 -0.928 . . . . 1.73 109.95 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.78 -51.63 68.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.28 110.056 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.903 HD13 ' NH1' ' B' ' 337' ' ' ARG . 69.2 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.31 109.877 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.15 -37.38 79.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 1.91 109.732 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.86 -41.7 95.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.43 109.337 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -46.05 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 1.57 109.144 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.2 -30.91 60.91 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.789 -0.57 . . . . 1.44 109.605 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.13 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.383 -0.823 . . . . 0.64 109.312 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.403 ' NE2' HD11 ' C' ' 350' ' ' LEU . 8.9 mt-30 -81.65 -2.97 52.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 1.21 109.441 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.56 -64.04 0.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 1.22 109.631 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.76 69.77 3.24 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.584 -1.406 . . . . 1.5 109.584 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -87.46 5.54 38.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.148 -1.207 . . . . 4.18 109.657 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.466 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 1.8 tt0 -50.75 145.95 10.64 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.203 -0.935 . . . . 5.67 109.521 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.466 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 2.0 Cg_endo -63.1 155.55 60.4 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.168 1.912 . . . . 5.65 110.142 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.905 -1.497 . . . . 7.27 109.577 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.39 -0.596 . . . . 7.33 109.39 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.78 -148.16 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.372 -0.83 . . . . 7.21 109.377 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.88 81.23 0.21 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.122 -0.986 . . . . 6.47 109.664 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -69.3 0.97 4.54 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.316 2.01 . . . . 4.53 110.74 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.22 49.01 1.57 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 4.35 109.855 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.27 -171.85 2.22 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.308 -0.87 . . . . 2.48 109.332 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 154.13 53.09 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.548 -1.421 . . . . 0.98 109.548 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.42 130.06 44.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -1.105 . . . . 1.7 109.279 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.21 158.2 15.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.61 109.651 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.1 m-85 -137.4 -166.86 2.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.254 -0.904 . . . . 0.58 109.324 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.6 p -151.96 159.26 43.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.42 109.418 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.0 tp -146.94 130.34 16.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.36 109.321 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 36.4 tt0 -85.16 131.16 34.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 1.37 109.471 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.483 HD12 ' HD1' ' A' ' 338' ' ' PHE . 29.3 mt -123.8 120.53 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 0.47 109.675 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 21.1 ttt180 -73.83 147.65 43.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.327 -0.858 . . . . 2.1 109.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 134.99 4.81 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.807 -1.317 . . . . 0.42 109.807 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -80.38 -49.78 11.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -1.169 . . . . 2.68 109.49 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.03 -47.72 82.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.22 109.18 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -38.97 83.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.809 . . . . 2.77 109.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.483 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.6 t80 -54.98 -56.39 20.22 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.43 109.542 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.85 -34.73 29.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.66 109.68 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.42 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 9.3 ttp -63.57 -50.51 69.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.312 -0.867 . . . . 0.44 110.047 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.2 m-85 -60.51 -55.2 36.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.16 -0.963 . . . . 0.29 109.185 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.71 -33.61 23.57 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.378 -0.826 . . . . 2.44 109.394 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 340' ' ' MET . 30.2 tt0 -62.34 -46.71 87.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 1.74 109.576 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' B' ' 344' ' ' LEU . 41.7 mt -61.75 -43.26 99.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.362 -0.836 . . . . 0.3 109.443 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -58.14 -48.23 80.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.22 109.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.75 -35.67 80.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.296 -0.878 . . . . 1.72 109.955 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.51 -52.65 64.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.27 109.784 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.43 -38.71 88.13 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.301 -0.874 . . . . 0.29 109.558 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.42 -38.56 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.359 -0.838 . . . . 1.91 109.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.7 tt -64.21 -45.41 88.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.41 109.777 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.491 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -61.07 -39.76 91.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.882 . . . . 1.56 108.983 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.61 -33.96 66.75 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.511 -0.743 . . . . 1.43 109.648 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.38 87.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.66 109.419 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -81.03 -0.58 40.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 1.18 109.545 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.81 -84.8 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 1.23 109.735 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 60.07 4.76 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.891 -1.283 . . . . 1.54 109.891 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.79 7.85 28.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.112 -1.228 . . . . 4.18 109.673 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.84 108.39 0.94 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.898 . . . . 5.71 109.678 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -59.02 168.75 4.17 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.094 1.862 . . . . 5.61 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.479 -1.448 . . . . 7.24 109.479 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.444 -0.576 . . . . 7.34 109.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 60.89 -148.19 0.43 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 7.17 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.9 81.21 0.21 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.211 -0.931 . . . . 6.44 109.648 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.36 1.09 4.47 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.351 2.034 . . . . 4.54 110.705 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.29 49.0 1.58 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 4.32 109.886 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.24 -172.02 2.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.259 -0.901 . . . . 2.47 109.351 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.95 154.11 53.02 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.629 -1.388 . . . . 0.95 109.629 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.45 130.04 44.89 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -1.146 . . . . 1.61 109.269 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 39.8 m-85 -93.3 158.27 15.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.57 109.637 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.2 m-85 -137.41 -167.02 2.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.344 -0.848 . . . . 0.53 109.374 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -151.88 159.2 43.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.38 109.447 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.1 tp -146.9 130.3 16.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.36 109.254 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.11 131.16 34.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 1.36 109.433 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 ' HD1' ' B' ' 338' ' ' PHE . 29.0 mt -123.82 120.44 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.49 109.66 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -73.71 147.72 43.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.495 -0.753 . . . . 2.1 109.683 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.486 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.07 135.01 4.8 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.814 -1.314 . . . . 0.44 109.814 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.605 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -80.33 -49.83 10.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -1.141 . . . . 2.72 109.498 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.06 -47.69 82.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.883 . . . . 2.21 109.169 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -39.02 83.46 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.454 -0.779 . . . . 2.79 109.353 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.479 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.6 t80 -55.07 -56.27 21.74 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.383 -0.823 . . . . 0.45 109.498 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -50.82 -34.81 29.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 1.68 109.696 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 9.3 ttp -63.56 -50.44 69.47 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.183 -0.948 . . . . 0.43 110.112 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.0 m-85 -60.64 -55.09 37.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.159 -0.963 . . . . 0.28 109.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.81 -33.52 23.88 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.382 -0.824 . . . . 2.52 109.383 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' B' ' 340' ' ' MET . 30.2 tt0 -62.31 -46.77 87.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.026 -1.046 . . . . 1.75 109.615 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' A' ' 344' ' ' LEU . 42.3 mt -61.64 -43.38 98.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 0.31 109.502 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -58.05 -48.22 80.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.21 109.979 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.82 -35.46 79.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -0.861 . . . . 1.69 109.918 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.63 -52.7 64.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.27 109.791 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.35 -38.8 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.3 109.507 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.28 -38.72 84.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 1.93 109.851 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.708 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.7 tt -64.23 -45.41 88.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.4 109.785 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.97 -39.71 90.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.59 109.015 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.64 -34.08 66.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.614 -0.679 . . . . 1.43 109.642 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.27 87.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.65 109.424 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.447 ' OE1' HD11 ' A' ' 350' ' ' LEU . 68.0 mt-30 -81.07 -0.61 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 1.19 109.447 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -84.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 1.22 109.784 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 60.02 4.78 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.941 -1.264 . . . . 1.53 109.941 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.86 7.94 28.35 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.239 -1.154 . . . . 4.21 109.656 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.78 108.42 0.95 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 5.68 109.557 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -58.97 168.81 4.04 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.016 1.81 . . . . 5.57 110.418 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.982 -1.455 . . . . 7.2 109.543 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.9 tptt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.394 -0.595 . . . . 8.96 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.72 -148.1 0.44 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 8.15 109.414 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.84 81.32 0.21 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.184 -0.948 . . . . 7.15 109.608 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.3 0.94 4.6 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.398 2.065 . . . . 4.35 110.742 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.2 49.05 1.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.145 -0.972 . . . . 4.63 109.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -171.95 2.25 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.265 -0.897 . . . . 2.85 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.12 154.2 53.07 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.666 -1.374 . . . . 1.12 109.666 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.52 130.03 44.85 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -1.071 . . . . 2.11 109.34 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 39.7 m-85 -93.22 158.28 15.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 0.64 109.593 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.2 m-85 -137.32 -166.9 2.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.49 109.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.8 p -151.88 159.43 43.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.47 109.485 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.9 tp -147.08 130.28 16.5 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.26 -0.9 . . . . 0.42 109.297 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 36.4 tt0 -85.2 131.14 34.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 1.81 109.407 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.478 HD12 ' HD1' ' C' ' 338' ' ' PHE . 29.0 mt -123.84 120.52 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.42 109.66 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 21.2 ttt180 -73.79 147.8 43.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 2.35 109.547 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.1 134.94 4.79 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -80.36 -49.81 10.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.38 -1.071 . . . . 2.59 109.491 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.08 -47.59 82.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 2.54 109.227 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -39.02 83.64 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.36 -0.838 . . . . 3.39 109.312 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.478 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.96 -56.32 20.99 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.421 -0.8 . . . . 0.47 109.538 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.86 -34.83 29.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.66 109.71 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 9.3 ttp -63.45 -50.58 69.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.61 110.066 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.478 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.0 m-85 -60.46 -55.16 36.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.33 109.178 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.83 -33.51 23.97 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.28 109.435 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' C' ' 340' ' ' MET . 30.1 tt0 -62.34 -46.73 87.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.16 -0.962 . . . . 1.78 109.53 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' D' ' 344' ' ' LEU . 41.5 mt -61.76 -43.31 99.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.38 109.423 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -58.06 -48.29 80.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.857 . . . . 1.2 109.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.71 -35.55 80.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 2.12 109.95 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.55 -52.79 64.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.26 109.727 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.32 -38.77 88.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 0.4 109.561 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.32 -38.65 84.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.277 -0.889 . . . . 2.09 109.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.717 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -64.23 -45.4 88.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.75 109.763 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.93 -39.78 90.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 2.19 108.928 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.71 -34.05 67.08 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.501 -0.749 . . . . 1.34 109.587 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.36 87.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 0.72 109.465 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.457 ' OE1' HD11 ' D' ' 350' ' ' LEU . 68.1 mt-30 -81.02 -0.69 40.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 1.8 109.529 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.69 -84.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.248 -0.908 . . . . 1.39 109.806 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 60.07 4.77 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.927 -1.269 . . . . 1.66 109.927 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.9 7.85 28.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -1.233 . . . . 4.45 109.593 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.86 108.44 0.95 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 6.19 109.633 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -58.93 168.73 4.1 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.05 1.834 . . . . 5.58 110.419 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.947 -1.474 . . . . 6.9 109.508 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.392 -0.596 . . . . 7.36 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.86 -148.05 0.43 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -0.921 . . . . 7.15 109.378 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.8 81.26 0.21 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.16 -0.963 . . . . 6.5 109.662 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.35 0.99 4.56 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.412 2.075 . . . . 4.5 110.754 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.21 48.9 1.55 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.997 . . . . 4.32 109.857 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.2 -171.96 2.24 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.306 -0.871 . . . . 2.46 109.37 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.1 154.19 53.06 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.721 -1.352 . . . . 0.97 109.721 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.48 130.11 45.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.303 -1.116 . . . . 1.67 109.198 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.28 158.28 15.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.61 109.619 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 92.3 m-85 -137.41 -167.01 2.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.292 -0.88 . . . . 0.56 109.416 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.8 p -151.82 159.33 43.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.43 109.432 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.1 tp -147.05 130.3 16.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.382 -0.823 . . . . 0.35 109.221 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.08 131.17 34.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 1.37 109.423 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -123.94 120.48 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.48 109.593 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 21.3 ttt180 -73.79 147.69 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 2.08 109.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.16 135.07 4.87 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.747 -1.341 . . . . 0.4 109.747 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -80.42 -49.81 10.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.272 -1.134 . . . . 2.64 109.476 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.13 -47.63 82.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.911 . . . . 2.22 109.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -39.11 83.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 2.74 109.243 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.6 t80 -54.89 -56.37 20.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.464 -0.772 . . . . 0.43 109.559 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -50.84 -34.83 29.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.426 -0.796 . . . . 1.69 109.701 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 9.3 ttp -63.44 -50.63 68.99 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.269 -0.894 . . . . 0.43 110.045 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -60.47 -55.14 37.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.27 109.221 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.77 -33.57 23.82 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.319 -0.863 . . . . 2.45 109.4 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' D' ' 340' ' ' MET . 30.1 tt0 -62.38 -46.71 87.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 1.75 109.593 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' C' ' 344' ' ' LEU . 42.4 mt -61.62 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.294 -0.879 . . . . 0.31 109.521 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -58.09 -48.32 80.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 1.22 109.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.79 -35.47 79.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -0.864 . . . . 1.73 109.912 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.48 -52.81 63.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.28 109.799 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.38 -38.64 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.31 109.582 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.34 -38.77 84.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.3 -0.875 . . . . 1.91 109.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.7 tt -64.16 -45.4 88.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.43 109.765 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.557 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -60.9 -39.78 90.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.867 . . . . 1.57 109.037 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.8 -33.87 67.11 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.641 -0.662 . . . . 1.44 109.616 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.35 87.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.206 -0.934 . . . . 0.64 109.356 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -81.01 -0.62 40.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 1.21 109.495 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -84.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.244 -0.91 . . . . 1.22 109.835 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 60.16 4.76 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.947 -1.261 . . . . 1.5 109.947 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.93 7.9 28.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -1.224 . . . . 4.18 109.643 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.81 108.46 0.95 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 5.67 109.641 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -59.08 168.93 4.04 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.066 1.844 . . . . 5.65 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.043 -1.42 . . . . 7.27 109.609 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 11.1 tttt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.485 -0.561 . . . . 7.33 109.485 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 5.2 mttt 59.49 -89.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 7.21 109.469 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 319' ' ' LYS . 21.9 mttt 62.11 85.91 0.16 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 6.47 109.639 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -68.23 -1.95 8.1 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.298 1.998 . . . . 4.53 110.658 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 323' ' ' LEU . 7.8 mt -83.03 11.86 5.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.072 -1.018 . . . . 4.35 109.772 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -78.14 -84.58 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 2.48 110.109 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 134.99 28.13 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.915 -1.274 . . . . 0.98 109.915 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.85 142.52 58.21 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.643 -0.916 . . . . 1.7 109.588 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 6.1 m-85 -95.77 155.38 16.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.61 109.117 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.1 m-85 -139.38 -169.35 2.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.127 -0.983 . . . . 0.58 109.859 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.9 p -153.18 161.04 42.88 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.42 109.3 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.4 tp -149.37 132.29 16.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.21 -0.931 . . . . 0.36 109.632 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 27.6 tt0 -85.66 129.05 34.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 1.37 109.244 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 341' ' ' PHE . 48.8 mt -123.88 116.74 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.47 109.787 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 44.1 ttt180 -74.07 152.48 39.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.913 . . . . 2.1 109.422 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.72 137.96 6.78 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.762 -1.335 . . . . 0.42 109.762 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.6 ttt-85 -82.66 -54.25 5.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -1.132 . . . . 2.68 109.463 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.18 -46.37 85.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 2.22 109.391 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -43.47 98.82 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.275 -0.891 . . . . 2.77 109.528 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 29.2 t80 -54.77 -57.33 11.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.316 -0.865 . . . . 0.43 109.704 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.56 -34.06 35.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.66 109.735 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.82 -49.68 73.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.44 109.896 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 332' ' ' ILE . 28.6 m-85 -60.97 -49.95 75.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.29 109.152 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.59 -40.11 59.19 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.423 -0.798 . . . . 2.44 109.747 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 1.74 109.975 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.8 -43.47 98.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.172 -0.955 . . . . 0.3 109.469 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.11 -49.36 77.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 1.22 109.688 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -32.22 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 1.72 109.833 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.39 -50.76 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.27 110.086 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.421 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 38.1 mt -61.28 -44.01 97.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.29 109.74 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.8 -36.63 74.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.91 . . . . 1.91 109.65 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 18.3 tp -64.65 -42.29 95.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.844 . . . . 0.41 109.525 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.0 ttmm -62.43 -43.09 99.65 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.333 -0.854 . . . . 1.56 109.272 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -55.99 -36.04 67.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.478 -0.764 . . . . 1.43 109.812 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.49 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 0.66 109.838 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.21 -5.72 58.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 1.18 109.801 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -9.75 58.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.168 -0.957 . . . . 1.23 109.461 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.68 14.26 52.57 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.665 -1.374 . . . . 1.54 109.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 30.2 tttt -86.67 19.31 2.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.117 -1.225 . . . . 4.18 109.937 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -47.69 106.3 0.58 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.975 . . . . 5.71 109.426 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.4 Cg_exo -60.77 146.39 97.45 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.027 1.818 . . . . 5.61 110.283 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 118.042 -1.421 . . . . 7.24 109.578 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 11.1 tttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.481 -0.563 . . . . 7.34 109.481 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 5.2 mttt 59.53 -89.5 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.283 -0.885 . . . . 7.17 109.42 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 62.14 85.97 0.16 Allowed Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 6.44 109.6 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.21 -2.02 8.2 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.27 1.98 . . . . 4.54 110.646 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 323' ' ' LEU . 7.8 mt -82.95 11.85 5.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.148 -0.97 . . . . 4.32 109.812 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -78.16 -84.7 0.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.261 -0.899 . . . . 2.47 110.018 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 134.94 28.3 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.987 -1.245 . . . . 0.95 109.987 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.83 142.53 58.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.654 -0.91 . . . . 1.61 109.6 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -95.86 155.26 16.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.191 -0.943 . . . . 0.57 109.216 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 72.6 m-85 -139.29 -169.31 2.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 0.53 109.851 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.8 p -153.28 160.86 42.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 0.38 109.289 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -149.17 132.44 16.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.906 . . . . 0.36 109.669 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -85.77 129.01 34.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 1.36 109.279 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 48.8 mt -123.85 116.82 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.163 -0.96 . . . . 0.49 109.788 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -74.07 152.46 39.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 2.1 109.407 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.66 137.96 6.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.758 -1.337 . . . . 0.44 109.758 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.5 ttt-85 -82.69 -54.27 5.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.25 -1.147 . . . . 2.72 109.452 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.21 -46.28 86.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 2.21 109.348 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.482 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -61.27 -43.49 98.78 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.331 -0.856 . . . . 2.79 109.576 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 29.2 t80 -54.85 -57.41 11.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.352 -0.843 . . . . 0.45 109.596 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.0 34.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.68 109.701 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.87 -49.64 74.06 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 28.6 m-85 -60.91 -50.0 75.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.202 -0.936 . . . . 0.28 109.208 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.62 -40.07 59.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 2.52 109.681 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -43.47 98.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.25 -0.906 . . . . 1.75 109.923 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.85 -43.38 98.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.31 109.446 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.381 -0.824 . . . . 1.21 109.645 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -32.2 72.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 1.69 109.823 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.49 -50.64 72.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.143 -0.973 . . . . 0.27 110.089 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.28 -44.05 97.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.3 109.675 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.84 -36.52 74.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 1.93 109.53 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 18.3 tp -64.75 -42.31 95.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.4 109.56 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.0 ttmm -62.38 -43.0 99.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 1.59 109.31 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.11 -35.95 67.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.444 -0.785 . . . . 1.43 109.821 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.61 77.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.28 -0.888 . . . . 0.65 109.809 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.401 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -82.2 -5.71 58.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.936 . . . . 1.19 109.788 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.76 -9.86 58.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.068 -1.02 . . . . 1.22 109.467 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 14.23 52.24 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.656 -1.378 . . . . 1.53 109.656 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.454 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 30.4 tttt -86.73 19.32 2.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -1.175 . . . . 4.21 109.875 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -47.62 106.22 0.57 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.922 . . . . 5.68 109.511 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.4 Cg_exo -60.71 146.53 97.12 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.965 1.777 . . . . 5.57 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.523 -1.431 . . . . 7.2 109.523 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 11.0 tttt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.512 -0.551 . . . . 8.96 109.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 5.3 mttt 59.57 -89.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.284 -0.885 . . . . 8.15 109.463 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' C' ' 319' ' ' LYS . 21.7 mttt 62.01 85.97 0.16 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 7.15 109.616 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.18 -1.95 8.06 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.187 1.925 . . . . 4.35 110.699 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.437 ' N ' HD23 ' C' ' 323' ' ' LEU . 7.9 mt -83.03 11.91 5.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 4.63 109.825 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -78.21 -84.59 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 2.85 110.051 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 134.94 28.37 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 110.017 -1.233 . . . . 1.12 110.017 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.81 142.47 58.19 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.584 -0.951 . . . . 2.11 109.614 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 6.0 m-85 -95.78 155.36 16.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 0.64 109.235 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 72.1 m-85 -139.39 -169.28 2.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.094 -1.004 . . . . 0.49 109.879 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.8 p -153.21 160.98 42.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.38 -0.825 . . . . 0.47 109.331 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.4 tp -149.26 132.41 16.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.42 109.593 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 27.5 tt0 -85.8 129.0 34.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.329 -0.857 . . . . 1.81 109.26 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 48.8 mt -123.81 116.72 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 0.42 109.708 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 44.4 ttt180 -74.02 152.52 39.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 2.35 109.449 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.59 138.0 6.72 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.5 ttt-85 -82.73 -54.21 5.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -1.11 . . . . 2.59 109.443 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.29 -46.2 86.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 2.54 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -61.35 -43.53 98.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.334 -0.853 . . . . 3.39 109.489 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 329' ' ' THR . 29.4 t80 -54.67 -57.51 11.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.369 -0.832 . . . . 0.47 109.67 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.45 -34.03 33.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 1.66 109.722 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.96 -49.57 74.23 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.278 -0.889 . . . . 0.61 109.962 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 28.8 m-85 -60.91 -50.02 75.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.169 -0.957 . . . . 0.33 109.202 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.63 -40.07 59.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 3.28 109.661 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -43.47 98.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.174 -0.954 . . . . 1.78 110.027 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.84 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.166 -0.959 . . . . 0.38 109.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.17 -49.38 77.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 1.2 109.615 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -32.13 72.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 2.12 109.86 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -50.6 72.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.26 110.107 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.32 -44.04 97.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.4 109.676 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.74 -36.75 74.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 2.09 109.495 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.69 -42.31 95.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.75 109.474 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -62.38 -43.05 99.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.483 -0.761 . . . . 2.19 109.234 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -56.01 -36.03 67.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.555 -0.716 . . . . 1.34 109.848 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.4 76.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.72 109.904 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -5.76 58.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 1.8 109.807 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.76 -9.89 58.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 1.39 109.414 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 14.28 52.43 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.675 -1.37 . . . . 1.66 109.675 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 30.3 tttt -86.66 19.26 2.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.075 -1.25 . . . . 4.45 109.875 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -47.63 106.33 0.59 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.183 -0.948 . . . . 6.19 109.371 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.3 Cg_exo -60.69 146.5 97.14 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.985 1.79 . . . . 5.58 110.302 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.979 -1.456 . . . . 6.9 109.589 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 11.0 tttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.45 -0.574 . . . . 7.36 109.45 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 5.2 mttt 59.43 -89.45 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 7.15 109.484 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 62.21 85.82 0.16 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 6.5 109.627 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.2 -1.9 7.99 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.304 2.003 . . . . 4.5 110.587 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.448 HD23 ' N ' ' D' ' 323' ' ' LEU . 7.9 mt -83.07 11.85 5.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.008 -1.058 . . . . 4.32 109.749 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -78.24 -84.69 0.08 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.201 -0.937 . . . . 2.46 109.959 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.9 28.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.932 -1.267 . . . . 0.97 109.932 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.78 142.51 58.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.606 -0.937 . . . . 1.67 109.638 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.8 155.28 16.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.61 109.24 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.5 m-85 -139.34 -169.39 2.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.56 109.846 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.9 p -153.1 161.12 42.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.43 109.333 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 329' ' ' THR . 15.4 tp -149.33 132.38 16.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.223 -0.923 . . . . 0.35 109.636 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -85.73 129.03 34.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.37 109.241 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.0 mt -123.9 116.8 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.169 -0.957 . . . . 0.48 109.68 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -74.03 152.48 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.08 109.506 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 138.02 6.78 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.756 -1.338 . . . . 0.4 109.756 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.613 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.5 ttt-85 -82.71 -54.25 5.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -1.123 . . . . 2.64 109.504 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.2 -46.45 85.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.841 . . . . 2.22 109.347 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -43.52 98.74 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.291 -0.881 . . . . 2.74 109.482 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 29.3 t80 -54.71 -57.44 11.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 0.43 109.618 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.08 34.81 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 1.69 109.732 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.74 -49.79 73.62 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.349 -0.844 . . . . 0.43 109.927 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' D' ' 332' ' ' ILE . 28.9 m-85 -60.73 -50.06 74.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 0.27 109.273 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -51.7 -40.01 59.34 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.375 -0.828 . . . . 2.45 109.707 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -43.46 98.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 1.75 109.944 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.79 -43.5 98.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.31 109.353 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.27 -49.28 77.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.264 -0.897 . . . . 1.22 109.567 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -32.1 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.73 109.824 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.42 -50.7 72.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.28 110.083 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.482 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 38.0 mt -61.27 -44.11 97.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.31 109.649 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.83 -36.55 74.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.91 109.601 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 18.3 tp -64.66 -42.4 95.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 0.43 109.557 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.41 -43.04 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.283 -0.886 . . . . 1.57 109.231 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.04 -36.02 67.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.527 -0.733 . . . . 1.44 109.802 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.47 77.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -0.848 . . . . 0.64 109.874 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.23 -5.81 58.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.21 109.837 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.68 -9.76 58.76 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.101 -1.0 . . . . 1.22 109.55 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 14.36 52.37 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.618 -1.393 . . . . 1.5 109.618 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 30.4 tttt -86.75 19.29 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -1.148 . . . . 4.18 109.781 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -47.75 106.33 0.59 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 5.67 109.442 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.4 Cg_exo -60.67 146.49 97.09 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.017 1.812 . . . . 5.65 110.247 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.543 -1.423 . . . . 7.27 109.543 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.54 -0.541 . . . . 7.33 109.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.46 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 7.21 109.51 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 23.5 mttt 58.18 64.5 3.71 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 6.47 109.364 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.7 Cg_endo -61.17 136.16 63.01 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.119 1.879 . . . . 4.53 110.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.2 mm? -85.36 34.36 0.57 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.291 -0.881 . . . . 4.35 110.014 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.405 ' HB3' ' CD ' ' C' ' 333' ' ' ARG . 72.3 m-20 -75.9 177.42 7.0 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.389 -0.819 . . . . 2.48 109.863 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 170.82 39.11 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.844 -1.303 . . . . 0.98 109.844 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.98 150.56 24.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.385 -1.068 . . . . 1.7 109.708 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 19.3 m-85 -94.3 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.61 109.205 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -139.54 -162.74 1.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.58 109.496 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 1.2 p -153.93 161.7 41.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.115 -0.991 . . . . 0.42 109.647 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' C' ' 345' ' ' ASN . 19.0 tp -149.3 134.24 18.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.231 -0.918 . . . . 0.36 109.329 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -86.64 134.48 33.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 1.37 109.903 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 341' ' ' PHE . 36.0 mt -123.73 118.97 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.173 -0.954 . . . . 0.47 109.192 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 143.85 45.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.191 -0.943 . . . . 2.1 110.194 -179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 142.21 7.98 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.085 -1.206 . . . . 0.42 110.085 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.8 ttt180 -82.23 -51.28 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -1.052 . . . . 2.68 109.322 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.78 -44.65 90.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.323 -0.861 . . . . 2.22 109.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.735 HH12 HD22 ' C' ' 348' ' ' LEU . 7.0 tpp180 -62.73 -41.03 98.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.336 -0.853 . . . . 2.77 109.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.7 t80 -56.23 -48.68 76.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -0.773 . . . . 0.43 109.453 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.17 -37.33 54.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.26 -0.9 . . . . 1.66 109.907 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.18 -49.34 76.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.166 -0.959 . . . . 0.44 110.201 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.647 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.9 m-85 -60.88 -53.52 56.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.29 109.36 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -50.14 -37.03 32.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 2.44 109.612 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.86 -48.95 79.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.17 -0.956 . . . . 1.74 109.506 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 81.6 mt -61.17 -34.59 75.28 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.183 -0.948 . . . . 0.3 108.838 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.7 t-20 -58.94 -55.18 38.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.583 -0.698 . . . . 1.22 109.486 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.37 -28.99 70.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 1.72 109.851 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -62.17 -54.5 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.27 109.934 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' C' ' 337' ' ' ARG . 62.8 mt -60.82 -45.0 96.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.29 109.693 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.53 -33.42 71.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -0.931 . . . . 1.91 109.397 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.575 HD22 ' HD3' ' B' ' 351' ' ' LYS . 6.5 tp -65.44 -42.11 92.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.36 -0.837 . . . . 0.41 109.29 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.568 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.491 -0.755 . . . . 1.56 109.235 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -32.84 67.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.669 -0.644 . . . . 1.43 109.838 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.61 86.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.66 109.938 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -81.95 -4.3 56.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 1.18 109.838 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.96 61.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 1.23 109.501 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.19 35.24 3.31 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.939 -1.264 . . . . 1.54 109.939 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.64 15.37 6.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.052 -1.263 . . . . 4.18 109.781 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.1 162.72 0.47 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.191 -0.943 . . . . 5.71 109.492 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.04 149.17 90.38 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.243 1.962 . . . . 5.61 110.343 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.002 -1.443 . . . . 7.24 109.561 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.475 -0.565 . . . . 7.34 109.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.54 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 7.17 109.433 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 23.5 mttt 58.08 64.53 3.75 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 6.44 109.358 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.7 Cg_endo -61.18 136.06 62.32 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.21 1.94 . . . . 4.54 110.33 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.645 HD22 ' N ' ' B' ' 323' ' ' LEU . 4.2 mm? -85.21 34.24 0.56 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.407 -0.808 . . . . 4.32 109.958 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.4 ' HB3' ' CD ' ' D' ' 333' ' ' ARG . 72.2 m-20 -76.0 177.15 7.28 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.308 -0.87 . . . . 2.47 109.876 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 170.76 37.48 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.929 -1.269 . . . . 0.95 109.929 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.04 150.55 24.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.46 -1.024 . . . . 1.61 109.726 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.436 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 19.1 m-85 -94.25 158.83 15.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.57 109.273 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.5 m-85 -139.58 -162.8 1.38 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.53 109.562 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.427 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.2 p -153.82 161.87 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.951 . . . . 0.38 109.622 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' D' ' 345' ' ' ASN . 19.2 tp -149.47 134.24 17.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 0.36 109.337 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.53 134.59 33.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 1.36 109.938 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.0 mt -123.86 118.74 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.49 109.226 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.494 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.56 143.85 46.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 2.1 110.285 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.24 142.19 8.06 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.017 -1.233 . . . . 0.44 110.017 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.2 8.16 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -1.13 . . . . 2.72 109.419 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.89 -44.73 91.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.297 -0.877 . . . . 2.21 109.46 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.806 HH12 HD22 ' D' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -41.25 98.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.275 -0.891 . . . . 2.79 109.184 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.551 ' HA ' HG21 ' B' ' 332' ' ' ILE . 43.6 t80 -56.21 -48.69 75.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.534 -0.729 . . . . 0.45 109.502 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.03 -37.32 53.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 1.68 109.997 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.23 -49.39 75.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.253 -0.904 . . . . 0.43 110.158 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.73 -53.5 56.59 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.242 -0.911 . . . . 0.28 109.456 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -50.19 -36.99 32.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 2.52 109.557 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.83 -49.04 79.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.75 109.469 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' A' ' 344' ' ' LEU . 81.2 mt -61.27 -34.49 75.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.31 108.846 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.8 t-20 -58.95 -55.21 38.12 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.48 -0.762 . . . . 1.21 109.496 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.36 -28.9 70.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.69 109.851 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.3 -54.52 39.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.27 109.978 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.79 HD22 HH12 ' D' ' 337' ' ' ARG . 62.6 mt -60.81 -44.94 96.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.3 109.715 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.64 -33.22 71.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 1.93 109.37 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.568 HD22 ' HD3' ' A' ' 351' ' ' LYS . 6.5 tp -65.43 -42.29 92.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.4 109.242 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.575 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.96 -50.97 68.7 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.682 0.754 . . . . 1.59 109.271 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -32.89 67.31 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.633 -0.667 . . . . 1.43 109.858 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.63 86.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.313 -0.867 . . . . 0.65 109.947 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -81.94 -4.26 56.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 1.19 109.895 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.5 -21.85 61.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 1.22 109.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.07 35.23 3.29 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.907 -1.277 . . . . 1.53 109.907 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.73 15.38 7.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.116 -1.226 . . . . 4.21 109.777 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.14 162.83 0.47 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 5.68 109.598 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.2 149.34 89.75 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.236 1.957 . . . . 5.57 110.234 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.995 -1.447 . . . . 7.2 109.534 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.438 -0.578 . . . . 8.96 109.438 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.35 -0.844 . . . . 8.15 109.497 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 23.5 mttt 58.16 64.54 3.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 7.15 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.7 Cg_endo -61.27 136.12 62.36 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.16 1.907 . . . . 4.35 110.295 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.659 HD22 ' N ' ' C' ' 323' ' ' LEU . 4.2 mm? -85.21 34.18 0.56 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 4.63 109.96 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.92 177.19 7.19 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.264 -0.897 . . . . 2.85 109.891 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.35 170.77 37.86 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.906 -1.278 . . . . 1.12 109.906 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.98 150.57 24.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.073 . . . . 2.11 109.746 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 19.9 m-85 -94.31 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.214 -0.929 . . . . 0.64 109.157 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.5 m-85 -139.55 -162.85 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.49 109.538 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 1.2 p -153.84 161.71 41.83 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.213 -0.93 . . . . 0.47 109.67 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 345' ' ' ASN . 18.8 tp -149.23 134.27 18.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.42 109.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -86.58 134.58 33.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.81 109.959 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.4 mt -123.79 119.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.843 . . . . 0.42 109.14 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.79 143.87 45.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.905 . . . . 2.35 110.236 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.23 142.17 8.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.001 -1.24 . . . . 0.41 110.001 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.21 8.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -1.047 . . . . 2.59 109.358 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.86 -44.61 91.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.366 -0.833 . . . . 2.54 109.551 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' A' ' 348' ' ' LEU . 7.0 tpp180 -62.59 -41.23 98.83 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 3.39 109.097 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.7 t80 -56.21 -48.68 75.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.47 109.473 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.19 -37.2 54.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.397 -0.814 . . . . 1.66 109.935 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.23 -49.3 76.28 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.27 -0.894 . . . . 0.61 110.229 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.7 m-85 -60.96 -53.55 55.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.256 -0.902 . . . . 0.33 109.346 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.01 -37.11 31.35 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.451 -0.78 . . . . 3.28 109.606 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 1.78 109.56 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' D' ' 344' ' ' LEU . 81.1 mt -61.21 -34.62 75.39 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.272 -0.893 . . . . 0.38 108.779 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.667 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.7 t-20 -58.81 -55.27 37.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.4 -0.813 . . . . 1.2 109.615 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.3 -29.01 70.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 2.12 109.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.23 -54.38 41.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.26 110.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.735 HD22 HH12 ' A' ' 337' ' ' ARG . 62.1 mt -60.84 -44.98 96.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.4 109.719 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.55 -33.37 71.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 2.09 109.465 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.481 HD11 ' OE1' ' D' ' 354' ' ' GLN . 6.5 tp -65.37 -42.18 93.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.361 -0.837 . . . . 0.75 109.274 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -63.19 -50.86 68.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.511 -0.743 . . . . 2.19 109.234 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -32.74 67.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.676 -0.64 . . . . 1.34 109.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.6 85.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.297 -0.877 . . . . 0.72 109.892 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -81.9 -4.31 56.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.8 109.921 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.97 61.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.083 -1.01 . . . . 1.39 109.522 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 35.22 3.3 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.916 -1.274 . . . . 1.66 109.916 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.64 15.39 6.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.286 . . . . 4.45 109.749 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.14 162.77 0.47 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.173 -0.954 . . . . 6.19 109.513 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.09 149.18 90.37 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.286 1.991 . . . . 5.58 110.319 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.939 -1.478 . . . . 6.9 109.514 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.5 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.464 -0.569 . . . . 7.36 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.72 107.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 7.15 109.429 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 23.4 mttt 58.11 64.53 3.73 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.258 -0.901 . . . . 6.5 109.377 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.7 Cg_endo -61.25 136.11 62.38 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.146 1.897 . . . . 4.5 110.397 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.639 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.2 mm? -85.31 34.42 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 4.32 109.975 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' B' ' 333' ' ' ARG . 72.4 m-20 -76.05 177.32 7.18 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.291 -0.88 . . . . 2.46 109.888 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 170.8 38.42 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.803 -1.319 . . . . 0.97 109.803 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.98 150.56 24.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -1.075 . . . . 1.67 109.749 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 19.4 m-85 -94.26 159.04 15.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.61 109.214 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.5 m-85 -139.8 -162.85 1.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.201 -0.937 . . . . 0.56 109.449 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 1.2 p -153.85 161.86 41.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.15 -0.969 . . . . 0.43 109.64 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' B' ' 345' ' ' ASN . 19.0 tp -149.38 134.21 17.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.416 -0.803 . . . . 0.35 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.6 134.69 33.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 1.37 109.926 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' D' ' 341' ' ' PHE . 36.6 mt -123.93 119.05 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.48 109.068 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -73.89 143.81 45.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 2.08 110.161 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.22 142.21 8.06 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.976 -1.25 . . . . 0.4 109.976 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.8 ttt180 -82.24 -51.15 8.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.357 -1.084 . . . . 2.64 109.408 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.88 -44.62 91.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.83 . . . . 2.22 109.435 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.79 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.61 -41.2 98.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.3 -0.875 . . . . 2.74 109.186 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -56.23 -48.71 75.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.351 -0.843 . . . . 0.43 109.452 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.06 -37.33 53.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.394 -0.816 . . . . 1.69 109.948 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.27 -49.45 75.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.935 . . . . 0.43 110.105 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.0 m-85 -60.75 -53.56 55.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.27 109.443 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.05 -37.1 31.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.358 -0.839 . . . . 2.45 109.608 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.77 -49.0 79.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.131 -0.981 . . . . 1.75 109.602 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' C' ' 344' ' ' LEU . 80.8 mt -61.26 -34.45 75.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.31 108.779 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.67 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.8 t-20 -58.81 -55.34 36.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.843 . . . . 1.22 109.574 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.23 -29.05 70.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.73 109.834 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -62.4 -54.38 41.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.28 109.948 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.806 HD22 HH12 ' B' ' 337' ' ' ARG . 62.1 mt -60.8 -44.86 96.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.31 109.83 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.57 -33.45 71.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.108 -0.995 . . . . 1.91 109.359 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.516 HD22 ' HD3' ' C' ' 351' ' ' LYS . 6.5 tp -65.39 -42.19 92.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.43 109.228 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -51.04 68.24 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.546 -0.721 . . . . 1.57 109.263 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -32.86 67.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.688 -0.632 . . . . 1.44 109.874 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.67 86.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.64 109.898 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.481 ' OE1' HD11 ' C' ' 350' ' ' LEU . 65.9 mt-30 -81.94 -4.33 56.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.21 109.865 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.44 -21.84 61.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.082 -1.011 . . . . 1.22 109.536 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.23 35.28 3.31 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.935 -1.266 . . . . 1.5 109.935 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.73 15.47 6.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.025 -1.28 . . . . 4.18 109.725 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.16 162.79 0.47 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 5.67 109.435 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.22 149.2 90.44 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.23 1.953 . . . . 5.65 110.273 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.935 -1.48 . . . . 7.27 109.592 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 31.0 mttt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.293 0.568 . . . . 7.33 109.533 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 319' ' ' LYS . 4.2 pttt 41.85 38.49 1.01 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 7.21 109.832 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.3 OUTLIER 63.94 132.47 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.295 -0.878 . . . . 6.47 109.308 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.32 -82.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.927 1.751 . . . . 4.53 110.325 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 30.5 mt -83.05 110.45 18.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.215 -0.928 . . . . 4.35 109.782 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -93.46 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 2.48 109.118 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.56 168.6 45.84 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.386 -1.486 . . . . 0.98 109.386 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.19 128.7 38.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.127 -1.219 . . . . 1.7 109.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 13.5 m-85 -94.76 157.95 15.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.61 109.477 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 65.3 m-85 -139.84 -169.18 2.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.241 -0.912 . . . . 0.58 109.43 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.5 p -153.44 159.78 42.43 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.178 -0.951 . . . . 0.42 109.658 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 14.9 tp -148.44 132.12 16.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.36 109.347 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.26 128.25 34.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 1.37 109.469 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.1 mt -123.91 115.42 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.47 109.203 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.8 OUTLIER -73.0 153.18 41.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 2.1 109.665 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 87.28 128.47 2.62 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.698 -1.361 . . . . 0.42 109.698 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.84 14.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.348 -1.089 . . . . 2.68 109.549 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.44 -48.32 81.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.281 -0.887 . . . . 2.22 109.368 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.27 96.34 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.356 -0.84 . . . . 2.77 109.624 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.3 t80 -54.46 -56.33 19.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 0.43 109.506 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.33 -34.57 34.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.66 109.79 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.2 -50.47 70.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.308 -0.87 . . . . 0.44 109.99 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -60.63 -49.43 77.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.29 109.221 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -50.94 -39.66 55.39 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 2.44 109.462 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.57 -42.1 98.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.353 -0.842 . . . . 1.74 109.753 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 344' ' ' LEU . 48.6 mt -62.11 -46.23 89.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 0.3 109.593 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 48.3 t30 -57.58 -46.12 84.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.22 109.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.39 -33.03 73.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 1.72 109.517 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.45 -52.92 63.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.27 109.624 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.474 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.3 mt -61.42 -40.94 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.29 109.358 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 19.5 mt-10 -59.12 -35.26 73.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.91 109.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' B' ' 351' ' ' LYS . 13.2 tp -64.24 -41.06 97.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.483 -0.76 . . . . 0.41 109.112 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.453 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -62.0 -52.11 65.3 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.48 -0.763 . . . . 1.56 109.004 179.498 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -29.4 60.95 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.584 -0.697 . . . . 1.43 109.631 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.5 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.284 -0.885 . . . . 0.66 109.476 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.34 -14.02 53.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.28 -0.888 . . . . 1.18 109.326 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.34 -8.92 57.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.183 -0.948 . . . . 1.23 109.606 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 -10.99 76.12 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.744 -1.343 . . . . 1.54 109.744 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 103.81 15.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -1.181 . . . . 4.18 109.448 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.15 147.73 6.88 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 5.71 109.378 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.63 127.61 23.21 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.151 1.901 . . . . 5.61 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 117.985 -1.453 . . . . 7.24 109.496 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 320' ' ' LYS . 31.1 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.426 -0.583 . . . . 7.34 109.426 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 4.2 pttt 41.86 38.55 1.03 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.461 -0.774 . . . . 7.17 109.79 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.3 OUTLIER 63.81 132.51 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.318 -0.864 . . . . 6.44 109.274 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.31 -82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.918 1.746 . . . . 4.54 110.279 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.05 110.44 17.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 4.32 109.803 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.45 -93.19 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 2.47 109.223 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.82 168.61 46.61 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.303 -1.519 . . . . 0.95 109.303 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.27 128.85 39.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.267 . . . . 1.61 109.384 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 13.7 m-85 -94.9 157.83 15.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.188 -0.945 . . . . 0.57 109.56 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 65.3 m-85 -139.67 -169.11 2.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.313 -0.867 . . . . 0.53 109.42 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 64.9 p -153.49 159.97 42.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.25 -0.906 . . . . 0.38 109.588 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.9 tp -148.7 131.89 16.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.298 -0.876 . . . . 0.36 109.359 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.0 tt0 -86.02 128.19 34.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.838 . . . . 1.36 109.48 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' B' ' 341' ' ' PHE . 51.8 mt -123.84 115.49 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.932 . . . . 0.49 109.211 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.8 OUTLIER -73.02 153.15 41.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.218 -0.926 . . . . 2.1 109.646 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 87.19 128.2 2.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.712 -1.355 . . . . 0.44 109.712 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 20.6 ttt180 -75.01 -50.99 14.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.164 -1.198 . . . . 2.72 109.486 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.41 -48.33 81.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.145 -0.972 . . . . 2.21 109.354 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.29 96.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.257 -0.902 . . . . 2.79 109.568 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.2 t80 -54.55 -56.26 20.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.38 -0.825 . . . . 0.45 109.554 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -51.27 -34.57 33.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 1.68 109.927 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.08 -50.6 69.91 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.222 -0.924 . . . . 0.43 110.023 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.499 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 9.3 m-85 -60.68 -49.35 77.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.28 109.21 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.02 -39.63 56.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.422 -0.799 . . . . 2.52 109.402 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.51 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 1.75 109.79 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' B' ' 344' ' ' LEU . 48.1 mt -62.26 -46.18 89.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.31 109.498 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' B' ' 349' ' ' GLU . 48.2 t30 -57.55 -46.14 84.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 1.21 109.454 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.271 -0.893 . . . . 1.69 109.507 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.37 -52.94 63.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.27 109.727 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.511 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 20.3 mt -61.35 -41.01 96.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.3 109.383 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 19.5 mt-10 -59.11 -35.18 72.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.975 . . . . 1.93 109.265 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.453 HD22 ' HD3' ' A' ' 351' ' ' LYS . 13.2 tp -64.35 -40.99 96.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.4 109.095 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -62.04 -51.84 66.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.751 0.786 . . . . 1.59 108.976 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -29.48 61.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.575 -0.703 . . . . 1.43 109.547 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.64 95.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.65 109.556 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.24 -14.03 54.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 1.19 109.353 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.34 -8.96 58.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 1.22 109.555 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -10.87 76.47 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 103.82 16.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -1.164 . . . . 4.21 109.309 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -50.14 147.63 6.97 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 5.68 109.419 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.58 127.7 23.55 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.112 1.875 . . . . 5.57 110.232 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 CA-C-O 118.01 -1.439 . . . . 7.2 109.58 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' C' ' 320' ' ' LYS . 30.9 mttt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.218 0.532 . . . . 8.96 109.571 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' C' ' 319' ' ' LYS . 4.2 pttt 41.93 38.43 1.03 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.544 -0.722 . . . . 8.15 109.852 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.3 OUTLIER 63.93 132.44 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.289 -0.882 . . . . 7.15 109.295 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.31 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.843 1.696 . . . . 4.35 110.322 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.7 mt -83.07 110.33 17.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 4.63 109.698 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.35 -93.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 2.85 109.232 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.78 168.56 46.56 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.328 -1.509 . . . . 1.12 109.328 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.06 128.78 38.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -1.197 . . . . 2.11 109.52 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 13.5 m-85 -94.79 157.8 15.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.64 109.546 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.8 m-85 -139.77 -169.1 2.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.49 109.391 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.1 p -153.47 160.1 42.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.47 109.563 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.8 tp -148.79 132.08 16.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 0.42 109.256 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -86.2 128.21 34.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 1.81 109.44 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 51.6 mt -123.83 115.44 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.42 109.339 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.478 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.8 OUTLIER -72.96 153.31 41.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 2.35 109.594 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.452 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 87.08 128.48 2.55 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.624 -1.391 . . . . 0.41 109.624 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 20.7 ttt180 -75.33 -50.91 14.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.166 -1.196 . . . . 2.59 109.478 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.28 -48.58 80.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.937 . . . . 2.54 109.382 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.93 -41.33 95.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.309 -0.869 . . . . 3.39 109.597 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.3 t80 -54.4 -56.29 20.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.365 -0.834 . . . . 0.47 109.58 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.43 -34.5 35.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.66 109.892 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.06 -50.56 70.14 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.104 -0.997 . . . . 0.61 110.039 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 9.3 m-85 -60.72 -49.34 77.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.925 . . . . 0.33 109.212 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 12.5 ttm180 -51.09 -39.59 56.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.817 . . . . 3.28 109.401 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.47 -42.24 98.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.211 -0.93 . . . . 1.78 109.667 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' C' ' 344' ' ' LEU . 49.0 mt -62.17 -46.21 89.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.268 -0.895 . . . . 0.38 109.535 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.63 -46.12 84.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 1.2 109.418 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.33 -33.03 73.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.306 -0.871 . . . . 2.12 109.613 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.51 -52.84 63.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.367 -0.833 . . . . 0.26 109.694 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.491 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.2 mt -61.3 -41.09 96.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.4 109.371 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.07 -35.26 73.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 2.09 109.141 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' C' ' 350' ' ' LEU . 13.2 tp -64.25 -41.06 97.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.75 109.032 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -52.01 65.66 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.92 -0.771 . . . . 2.19 108.92 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -29.49 61.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.674 -0.641 . . . . 1.34 109.628 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.36 94.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.72 109.555 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -83.41 -14.0 53.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 1.8 109.286 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.32 -8.89 57.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.184 -0.948 . . . . 1.39 109.66 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -10.91 76.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.729 -1.349 . . . . 1.66 109.729 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 103.95 16.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.281 -1.129 . . . . 4.45 109.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -50.28 147.7 7.18 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.286 -0.884 . . . . 6.19 109.327 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.69 127.74 23.54 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.053 1.835 . . . . 5.58 110.206 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.982 -1.454 . . . . 6.9 109.525 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' D' ' 320' ' ' LYS . 31.0 mttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.255 0.55 . . . . 7.36 109.518 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' D' ' 319' ' ' LYS . 4.2 pttt 41.78 38.52 0.99 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.447 -0.783 . . . . 7.15 109.83 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.3 OUTLIER 63.83 132.48 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 6.5 109.279 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.3 -82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 121.874 1.716 . . . . 4.5 110.285 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.2 mt -83.0 110.5 18.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 4.32 109.743 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.5 -93.39 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 2.46 109.115 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.55 168.76 45.6 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.302 -1.519 . . . . 0.97 109.302 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.37 128.86 39.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.139 -1.212 . . . . 1.67 109.533 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 13.7 m-85 -94.9 157.75 15.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.226 -0.921 . . . . 0.61 109.566 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.8 m-85 -139.61 -169.09 2.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.362 -0.836 . . . . 0.56 109.408 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 63.8 p -153.49 159.86 42.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.43 109.61 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.9 tp -148.56 132.11 16.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 0.35 109.342 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.28 128.11 34.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 1.37 109.523 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' D' ' 341' ' ' PHE . 51.0 mt -123.69 115.41 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.48 109.336 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.8 OUTLIER -73.13 153.24 40.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.874 . . . . 2.08 109.55 -179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 87.31 128.45 2.63 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.85 14.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -1.118 . . . . 2.64 109.533 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -48.19 81.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 2.22 109.4 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.365 -0.834 . . . . 2.74 109.513 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -54.45 -56.26 20.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.43 109.522 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.48 -34.52 36.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 1.69 109.799 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.02 -50.52 70.38 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -0.988 . . . . 0.43 110.068 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.511 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 9.3 m-85 -60.75 -49.26 78.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.957 . . . . 0.27 109.187 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.13 -39.67 56.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.402 -0.811 . . . . 2.45 109.355 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.43 -42.18 98.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 1.75 109.801 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 344' ' ' LEU . 48.2 mt -62.22 -46.21 89.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 0.31 109.507 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.52 -46.23 84.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.36 -0.838 . . . . 1.22 109.414 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.29 -33.14 74.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.408 -0.808 . . . . 1.73 109.597 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.43 -52.83 63.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.837 . . . . 0.28 109.663 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.47 -40.92 96.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.31 109.35 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 1.91 109.203 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' D' ' 350' ' ' LEU . 13.2 tp -64.26 -40.99 97.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.298 -0.876 . . . . 0.43 109.08 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HD3' HD22 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -62.15 -51.93 65.87 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.93 -0.767 . . . . 1.57 108.93 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.38 61.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.621 -0.675 . . . . 1.44 109.645 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.5 95.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 0.64 109.558 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -14.07 53.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.21 109.356 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.41 -8.83 57.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.22 109.547 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -10.92 76.18 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.677 -1.369 . . . . 1.5 109.677 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 103.95 16.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.233 -1.157 . . . . 4.18 109.294 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.27 147.68 7.18 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 5.67 109.325 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.63 127.7 23.49 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.092 1.861 . . . . 5.65 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.022 -1.432 . . . . 7.27 109.529 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.443 -0.577 . . . . 7.33 109.443 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.79 -119.56 0.93 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.151 -0.968 . . . . 7.21 109.453 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.54 91.46 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.768 -1.208 . . . . 6.47 109.247 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -58.93 171.13 2.28 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.178 1.919 . . . . 4.53 110.44 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 323' ' ' LEU . 27.3 mt -79.98 149.13 30.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 4.35 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -82.03 13.93 3.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.255 -0.903 . . . . 2.48 110.081 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.36 137.52 35.31 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.695 -1.362 . . . . 0.98 109.695 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.31 129.39 41.01 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.554 -0.968 . . . . 1.7 109.921 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -94.95 155.68 16.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.61 109.041 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.0 m-85 -140.2 -170.42 2.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.977 -1.077 . . . . 0.58 110.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -152.75 159.44 43.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.42 109.307 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -148.47 136.92 21.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.36 109.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 128.72 35.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.311 -0.868 . . . . 1.37 109.191 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.6 mt -123.97 115.52 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.012 -1.055 . . . . 0.47 109.558 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 153.0 40.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.299 -0.876 . . . . 2.1 109.679 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.87 7.05 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.835 -1.306 . . . . 0.42 109.835 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.1 ttp180 -81.01 -58.53 3.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -1.113 . . . . 2.68 109.437 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.21 -42.88 87.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.304 -0.872 . . . . 2.22 109.345 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.5 -42.73 96.93 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.357 -0.839 . . . . 2.77 109.294 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.2 t80 -55.4 -56.79 16.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.43 109.728 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.98 -34.26 28.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.819 . . . . 1.66 110.08 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.31 -48.24 78.88 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.144 -0.972 . . . . 0.44 110.004 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.498 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.7 m-85 -61.18 -50.35 73.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.169 -0.957 . . . . 0.29 109.377 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.22 -40.84 59.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.899 . . . . 2.44 109.692 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.66 98.48 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 1.74 109.983 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 344' ' ' LEU . 54.7 mt -62.2 -42.79 99.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.3 109.383 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.91 -50.54 72.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.88 . . . . 1.22 109.65 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.282 -0.886 . . . . 1.72 109.887 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -0.916 . . . . 0.27 110.02 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.38 -44.47 97.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.29 109.757 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.95 -36.42 74.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.91 109.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.486 HD23 HD23 ' B' ' 350' ' ' LEU . 6.3 tp -64.55 -41.92 96.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.41 109.544 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' B' ' 350' ' ' LEU . 13.1 ttmm -61.43 -44.52 96.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.272 -0.893 . . . . 1.56 109.047 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.98 -33.07 64.48 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.456 -0.777 . . . . 1.43 109.559 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.04 85.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.66 109.544 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.409 ' OE1' HD21 ' B' ' 350' ' ' LEU . 10.7 mp0 -81.89 -4.93 57.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 1.18 109.592 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.07 68.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 1.23 109.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 56.11 4.84 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.432 -1.467 . . . . 1.54 109.432 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.85 108.47 18.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -1.205 . . . . 4.18 109.637 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.554 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -51.25 -56.83 17.03 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.148 -0.97 . . . . 5.71 109.658 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.554 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.4 Cg_endo -61.35 140.43 88.11 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 121.845 1.696 . . . . 5.61 110.118 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 118.018 -1.435 . . . . 7.24 109.582 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.595 -0.52 . . . . 7.34 109.595 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -119.57 0.93 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.835 . . . . 7.17 109.473 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.6 91.43 0.08 OUTLIER Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.877 -1.139 . . . . 6.44 109.296 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -59.04 171.17 2.32 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.17 1.913 . . . . 4.54 110.472 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' B' ' 323' ' ' LEU . 27.2 mt -80.03 149.19 30.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -0.842 . . . . 4.32 109.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -81.97 13.17 3.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.318 -0.864 . . . . 2.47 110.043 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.28 137.36 37.74 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.778 -1.329 . . . . 0.95 109.778 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.46 129.49 41.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.619 -0.93 . . . . 1.61 109.964 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.96 155.63 16.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.894 . . . . 0.57 109.099 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.1 m-85 -140.12 -170.47 2.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.013 -1.055 . . . . 0.53 109.996 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 66.9 p -152.72 159.55 43.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.795 . . . . 0.38 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.5 tp -148.57 136.82 21.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.048 -1.032 . . . . 0.36 109.693 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.49 128.7 34.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.897 . . . . 1.36 109.31 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.9 115.54 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.997 . . . . 0.49 109.517 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 153.0 40.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 2.1 109.659 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.96 7.06 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.827 -1.309 . . . . 0.44 109.827 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.2 ttp180 -81.01 -58.62 3.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 2.72 109.374 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.1 -42.95 86.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.36 -0.837 . . . . 2.21 109.358 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.42 -42.8 96.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.349 -0.845 . . . . 2.79 109.391 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.3 t80 -55.33 -56.8 15.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.466 -0.771 . . . . 0.45 109.711 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.05 -34.3 29.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.68 109.934 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.36 -48.17 79.06 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.104 -0.998 . . . . 0.43 110.033 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.8 m-85 -61.21 -50.51 72.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.28 109.247 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.07 -40.83 59.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.375 -0.828 . . . . 2.52 109.749 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.82 -42.76 98.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 1.75 109.976 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 344' ' ' LEU . 55.8 mt -62.17 -42.73 99.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.984 . . . . 0.31 109.487 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.92 -50.48 73.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.456 -0.777 . . . . 1.21 109.715 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.09 -32.47 73.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.35 -0.843 . . . . 1.69 109.865 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.44 -49.76 76.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.27 109.998 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.41 -44.6 96.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.832 . . . . 0.3 109.692 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.5 74.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 1.93 109.633 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 351' ' ' LYS . 6.3 tp -64.35 -42.11 96.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.4 109.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.27 -44.6 96.97 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 1.59 109.092 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.03 -33.03 64.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.504 -0.747 . . . . 1.43 109.531 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.17 86.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.65 109.465 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -81.84 -4.93 57.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 1.19 109.577 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.92 67.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.22 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 55.98 4.84 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.519 -1.433 . . . . 1.53 109.519 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.69 108.51 18.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.161 -1.199 . . . . 4.21 109.729 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.548 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -51.13 -56.85 16.61 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.179 -0.95 . . . . 5.68 109.679 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.4 Cg_endo -61.46 140.53 88.03 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.858 1.705 . . . . 5.57 110.095 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.99 -1.45 . . . . 7.2 109.505 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 46.6 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.416 -0.587 . . . . 8.96 109.416 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.84 -119.55 0.93 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.36 -0.838 . . . . 8.15 109.455 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.56 91.45 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.887 -1.133 . . . . 7.15 109.351 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -59.07 171.2 2.34 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.276 1.984 . . . . 4.35 110.414 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 323' ' ' LEU . 27.0 mt -80.08 149.17 30.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 4.63 109.479 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -81.97 13.6 3.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 2.85 110.115 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.01 137.48 36.13 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.711 -1.355 . . . . 1.12 109.711 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.32 129.42 41.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.627 -0.925 . . . . 2.11 109.999 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.02 155.57 16.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.64 109.033 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -140.1 -170.39 2.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.49 110.051 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.2 p -152.75 159.46 43.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.37 -0.831 . . . . 0.47 109.266 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.5 tp -148.55 136.81 21.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.42 109.646 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 128.63 34.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.81 109.299 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.8 115.65 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.096 -1.002 . . . . 0.42 109.527 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 152.98 40.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.835 . . . . 2.35 109.643 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 137.85 7.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.842 -1.303 . . . . 0.41 109.842 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.55 3.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 2.59 109.387 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -42.89 87.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 2.54 109.348 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.4 -42.76 96.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.312 -0.868 . . . . 3.39 109.4 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.6 t80 -55.34 -56.86 15.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.422 -0.799 . . . . 0.47 109.753 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.99 -34.24 28.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 1.66 110.029 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.39 -48.18 78.93 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.144 -0.972 . . . . 0.61 109.983 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.8 m-85 -61.14 -50.48 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.279 -0.888 . . . . 0.33 109.296 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -51.12 -40.78 59.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 3.28 109.787 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.75 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.15 -0.969 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' C' ' 344' ' ' LEU . 54.8 mt -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.225 -0.922 . . . . 0.38 109.461 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.97 -50.5 73.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.825 . . . . 1.2 109.71 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -62.24 -32.27 72.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 2.12 109.833 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.53 -49.92 75.63 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.259 -0.9 . . . . 0.26 109.926 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.3 -44.52 97.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.928 . . . . 0.4 109.719 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.79 -36.57 74.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.91 . . . . 2.09 109.608 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.487 HD23 HD23 ' D' ' 350' ' ' LEU . 6.3 tp -64.47 -41.88 96.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.75 109.558 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 2.19 108.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.97 -33.02 64.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.419 -0.8 . . . . 1.34 109.603 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.14 85.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.292 -0.88 . . . . 0.72 109.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -81.77 -4.94 57.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.8 109.644 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.97 67.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 1.39 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.91 56.12 4.83 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.428 -1.469 . . . . 1.66 109.428 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.83 108.48 18.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.262 -1.14 . . . . 4.45 109.692 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.558 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -51.17 -56.85 16.73 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.382 -0.824 . . . . 6.19 109.681 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.558 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.4 Cg_endo -61.39 140.52 88.34 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.848 1.699 . . . . 5.58 110.055 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.974 -1.459 . . . . 6.9 109.523 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 7.36 109.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.67 -119.51 0.94 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 7.15 109.489 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 25.4 mttt 59.58 91.4 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 120.841 -1.162 . . . . 6.5 109.319 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -58.97 171.25 2.24 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.219 1.946 . . . . 4.5 110.503 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 323' ' ' LEU . 27.0 mt -80.08 149.22 30.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.364 -0.835 . . . . 4.32 109.53 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -82.04 13.58 3.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 2.46 109.981 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.07 137.48 35.99 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.709 -1.356 . . . . 0.97 109.709 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.33 129.45 41.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.589 -0.948 . . . . 1.67 109.98 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.0 155.62 16.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.61 109.055 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -140.13 -170.4 2.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.56 110.012 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 66.8 p -152.73 159.64 43.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.346 -0.846 . . . . 0.43 109.171 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' B' ' 329' ' ' THR . 13.6 tp -148.71 136.92 21.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.35 109.645 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.69 128.75 35.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.393 -0.817 . . . . 1.37 109.228 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.91 115.55 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.48 109.524 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 152.99 40.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 2.08 109.63 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.24 137.9 7.04 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.783 -1.327 . . . . 0.4 109.783 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.57 3.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.429 -1.042 . . . . 2.64 109.39 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.09 -43.15 86.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 2.22 109.277 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.32 -42.78 96.32 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.304 -0.873 . . . . 2.74 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -55.42 -56.85 15.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 0.43 109.647 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.9 -34.38 28.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.835 . . . . 1.69 109.998 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.26 -48.22 79.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.043 -1.035 . . . . 0.43 110.094 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.2 m-85 -61.02 -50.57 72.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.927 . . . . 0.27 109.381 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.17 -40.77 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.393 -0.817 . . . . 2.45 109.74 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.85 -42.64 98.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 1.75 110.023 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' D' ' 344' ' ' LEU . 54.5 mt -62.24 -42.69 99.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.31 109.466 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.88 -50.63 72.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.33 -0.856 . . . . 1.22 109.654 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.13 -32.29 72.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.195 -0.941 . . . . 1.73 109.913 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.132 -0.98 . . . . 0.28 109.954 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.38 -44.63 96.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.31 109.718 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.45 74.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 1.91 109.594 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.487 HD23 HD23 ' C' ' 350' ' ' LEU . 6.3 tp -64.42 -42.11 96.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.43 109.491 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.463 ' HA ' HD22 ' C' ' 350' ' ' LEU . 13.1 ttmm -61.3 -44.54 97.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.342 -0.849 . . . . 1.57 109.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.05 -32.94 64.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.481 -0.762 . . . . 1.44 109.582 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.09 85.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.219 -0.926 . . . . 0.64 109.46 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' C' ' 350' ' ' LEU . 10.7 mp0 -81.76 -5.09 57.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.243 -0.91 . . . . 1.21 109.558 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.06 68.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.039 -1.038 . . . . 1.22 109.406 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.82 56.12 4.84 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.464 -1.455 . . . . 1.5 109.464 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.78 108.4 18.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -1.177 . . . . 4.18 109.699 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -51.18 -56.82 16.98 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 5.67 109.678 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.4 Cg_endo -61.49 140.44 87.38 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 121.881 1.721 . . . . 5.65 110.086 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.966 -1.463 . . . . 7.27 109.47 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 63.5 mttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 7.33 109.409 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 78.89 -26.94 0.16 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.331 -0.855 . . . . 7.21 110.515 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.552 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 45.5 mmtt 54.38 58.14 12.12 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.858 -1.151 . . . . 6.47 109.743 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -61.73 95.86 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.135 1.89 . . . . 4.53 110.068 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.67 108.67 14.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.905 . . . . 4.35 109.549 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.64 -162.66 0.54 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.862 . . . . 2.48 109.499 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.88 171.09 39.23 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.558 -1.417 . . . . 0.98 109.558 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.0 137.68 57.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -1.176 . . . . 1.7 109.556 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -98.55 150.47 21.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.61 109.789 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.9 m-85 -139.73 137.52 35.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.883 . . . . 0.58 108.935 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.54 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 75.8 p -93.06 166.77 12.19 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.23 -0.919 . . . . 0.42 110.269 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.2 tp -147.03 131.83 17.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.424 -0.798 . . . . 0.36 109.722 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.75 123.85 32.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 1.37 109.359 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.45 116.86 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 0.47 109.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -74.02 150.87 40.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 2.1 109.416 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.15 133.24 6.84 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.801 -1.319 . . . . 0.42 109.801 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.3 ttt180 -82.95 -54.7 4.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.274 -1.133 . . . . 2.68 109.512 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.89 -45.77 85.93 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 2.22 109.291 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.3 -38.7 84.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.339 -0.851 . . . . 2.77 109.24 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' C' ' 329' ' ' THR . 77.9 t80 -54.75 -55.44 29.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.421 -0.799 . . . . 0.43 109.685 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.66 -34.8 39.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.374 -0.829 . . . . 1.66 109.859 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.07 -47.86 82.78 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.139 -0.976 . . . . 0.44 109.744 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.22 -44.82 96.66 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -0.968 . . . . 0.29 109.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -53.15 -42.01 65.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.352 -0.842 . . . . 2.44 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.32 -49.62 77.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.95 . . . . 1.74 109.979 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.32 -33.1 71.92 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.113 -0.992 . . . . 0.3 108.85 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.03 -57.07 14.44 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.615 -0.678 . . . . 1.22 109.754 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.12 -26.55 68.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 1.72 110.15 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -60.84 3.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.27 110.284 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.18 -38.34 82.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.29 109.554 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.72 -36.09 75.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.265 -0.897 . . . . 1.91 109.47 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 350' ' ' LEU . 38.1 tp -65.01 -40.83 95.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.41 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -50.73 70.93 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.847 -0.797 . . . . 1.56 108.847 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -57.16 -32.85 66.83 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.666 -0.646 . . . . 1.43 109.764 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.913 . . . . 0.66 109.805 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.623 ' OE1' HD11 ' B' ' 350' ' ' LEU . 5.0 mt-30 -82.62 -6.85 59.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 1.18 109.82 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -10.89 60.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.071 -1.018 . . . . 1.23 109.72 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.94 -11.1 74.14 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.743 -1.343 . . . . 1.54 109.743 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.77 127.53 35.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.174 -1.192 . . . . 4.18 109.623 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 0.2 OUTLIER -50.95 157.36 1.41 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 5.71 109.441 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.431 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 2.9 Cg_endo -61.19 124.28 14.5 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.226 1.951 . . . . 5.61 110.199 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.513 -1.435 . . . . 7.24 109.513 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 63.4 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.535 -0.543 . . . . 7.34 109.535 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 78.97 -27.03 0.16 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.892 . . . . 7.17 110.505 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.545 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 45.8 mmtt 54.45 58.05 12.04 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 120.839 -1.163 . . . . 6.44 109.734 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -61.66 95.98 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.028 1.819 . . . . 4.54 109.985 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 63.9 mt -80.85 108.82 14.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.21 -0.931 . . . . 4.32 109.532 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.4 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 1.7 m-20 -81.86 -162.6 0.55 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 2.47 109.391 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.82 171.31 38.58 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.532 -1.427 . . . . 0.95 109.532 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.17 137.7 57.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -1.112 . . . . 1.61 109.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 23.6 m-85 -98.69 150.47 21.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.57 109.737 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -139.68 137.7 35.42 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.833 -0.803 . . . . 0.53 108.833 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.557 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.7 p -93.15 166.74 12.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.165 -0.959 . . . . 0.38 110.117 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 330' ' ' LEU . 25.0 tp -147.03 131.73 17.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.415 -0.803 . . . . 0.36 109.823 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.66 123.89 32.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.36 109.361 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 18.9 mt -124.58 116.94 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.49 109.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -74.07 150.99 40.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.199 -0.938 . . . . 2.1 109.405 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.17 133.26 6.85 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.808 -1.317 . . . . 0.44 109.808 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.3 ttt180 -83.14 -54.56 4.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -1.119 . . . . 2.72 109.419 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.89 -45.81 85.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 2.21 109.269 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -38.9 84.56 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 2.79 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' D' ' 329' ' ' THR . 77.9 t80 -54.69 -55.43 29.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.381 -0.824 . . . . 0.45 109.615 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.57 -34.91 38.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.391 -0.818 . . . . 1.68 109.928 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.93 -47.77 83.43 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.228 -0.92 . . . . 0.43 109.883 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.38 -44.7 96.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.28 109.145 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -53.32 -41.9 66.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.541 -0.724 . . . . 2.52 109.951 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.23 -49.71 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 1.75 109.986 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.27 -33.12 71.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.205 -0.934 . . . . 0.31 108.838 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.98 -57.23 13.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.523 -0.735 . . . . 1.21 109.672 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.03 -26.56 68.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 1.69 110.162 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -60.9 3.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.197 -0.939 . . . . 0.27 110.274 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 15.6 mt -60.31 -38.2 82.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.3 109.532 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.73 -36.02 75.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.224 -0.923 . . . . 1.93 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.623 HD11 ' OE1' ' A' ' 354' ' ' GLN . 38.0 tp -64.98 -40.92 95.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.387 -0.821 . . . . 0.4 109.315 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -50.53 71.73 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.743 0.782 . . . . 1.59 108.934 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -57.45 -32.73 67.22 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.71 -0.619 . . . . 1.43 109.811 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.65 109.756 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -82.64 -6.76 59.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 1.19 109.804 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.94 60.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 1.22 109.673 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.0 -11.06 74.03 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.723 -1.351 . . . . 1.53 109.723 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.73 127.57 35.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -1.125 . . . . 4.21 109.652 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.43 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 0.2 OUTLIER -51.02 157.37 1.44 Allowed Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 5.68 109.481 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.43 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -61.19 124.24 14.43 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.22 1.947 . . . . 5.57 110.192 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.985 -1.453 . . . . 7.2 109.499 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 63.3 mttt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.299 0.571 . . . . 8.96 109.508 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 78.86 -26.96 0.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.285 -0.884 . . . . 8.15 110.595 -179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 45.6 mmtt 54.42 58.03 12.08 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.842 -1.161 . . . . 7.15 109.782 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.549 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -61.7 96.02 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.006 1.804 . . . . 4.35 110.034 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.81 108.75 14.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 4.63 109.562 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.72 -162.61 0.54 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 2.85 109.44 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.85 171.22 38.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.569 -1.412 . . . . 1.12 109.569 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.14 137.64 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.213 -1.169 . . . . 2.11 109.589 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.48 150.52 21.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.64 109.79 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.6 m-85 -139.79 137.56 35.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.49 108.904 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.546 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 75.9 p -92.94 166.83 12.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -0.955 . . . . 0.47 110.171 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' C' ' 330' ' ' LEU . 24.8 tp -147.05 131.67 17.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.404 -0.81 . . . . 0.42 109.86 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.68 123.81 32.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.188 -0.945 . . . . 1.81 109.459 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.47 116.98 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 0.42 109.942 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -74.14 150.98 40.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.172 -0.955 . . . . 2.35 109.396 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.11 133.19 6.8 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttt180 -83.0 -54.61 4.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 2.59 109.511 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.92 -45.71 86.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -0.905 . . . . 2.54 109.282 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.29 -38.78 84.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.463 -0.773 . . . . 3.39 109.277 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -54.81 -55.25 32.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.476 -0.765 . . . . 0.47 109.69 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.72 -34.9 41.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.405 -0.809 . . . . 1.66 109.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.92 -47.88 82.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.185 -0.947 . . . . 0.61 109.844 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.33 -44.7 96.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.33 109.132 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -53.17 -41.89 65.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.396 -0.815 . . . . 3.28 110.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.38 -49.65 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.18 -0.95 . . . . 1.78 109.94 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.34 -33.1 71.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.169 -0.957 . . . . 0.38 108.824 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.1 -57.05 14.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.534 -0.729 . . . . 1.2 109.682 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.06 -26.61 68.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 2.12 110.129 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.82 -60.93 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.06 -1.025 . . . . 0.26 110.128 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.22 -38.2 82.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.4 109.519 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.82 -36.06 76.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 2.09 109.358 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.765 HD11 ' OE1' ' D' ' 354' ' ' GLN . 38.1 tp -65.05 -40.75 95.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.75 109.38 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -50.69 71.01 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.877 -0.786 . . . . 2.19 108.877 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.19 -32.85 66.88 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.34 109.803 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.53 85.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.891 . . . . 0.72 109.798 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.656 ' OE1' HD11 ' D' ' 350' ' ' LEU . 5.0 mt-30 -82.73 -6.64 59.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 1.8 109.801 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.09 -10.93 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.174 -0.954 . . . . 1.39 109.634 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.9 -11.13 74.22 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.791 -1.324 . . . . 1.66 109.791 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -88.77 127.62 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -1.129 . . . . 4.45 109.615 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 0.2 OUTLIER -51.0 157.41 1.42 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 6.19 109.348 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.427 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 2.8 Cg_endo -61.18 124.37 14.68 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.175 1.917 . . . . 5.58 110.173 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.523 -1.431 . . . . 6.9 109.523 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 63.5 mttt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.388 -0.597 . . . . 7.36 109.388 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 78.82 -26.99 0.16 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.329 -0.857 . . . . 7.15 110.564 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.552 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 45.5 mmtt 54.43 57.99 12.09 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 120.894 -1.129 . . . . 6.5 109.825 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.2 Cg_endo -61.67 95.94 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.095 1.863 . . . . 4.5 110.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 63.7 mt -80.78 108.74 14.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 4.32 109.55 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.74 -162.63 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.346 -0.846 . . . . 2.46 109.416 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 171.22 39.32 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.528 -1.429 . . . . 0.97 109.528 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.04 137.67 57.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -1.165 . . . . 1.67 109.618 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -98.57 150.49 21.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.61 109.787 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.7 m-85 -139.78 137.51 35.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.56 108.923 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.581 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.6 p -93.11 166.55 12.29 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.217 -0.927 . . . . 0.43 110.198 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' D' ' 330' ' ' LEU . 25.0 tp -146.82 131.79 18.17 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.401 -0.812 . . . . 0.35 109.831 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.63 123.94 33.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 1.37 109.379 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.59 116.99 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.33 -0.857 . . . . 0.48 109.806 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -74.15 150.87 40.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.97 . . . . 2.08 109.341 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.21 133.22 6.85 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.3 ttt180 -82.94 -54.76 4.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.367 -1.078 . . . . 2.64 109.433 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.9 -45.85 85.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.321 -0.862 . . . . 2.22 109.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.08 -38.84 84.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.299 -0.876 . . . . 2.74 109.293 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' B' ' 329' ' ' THR . 77.7 t80 -54.72 -55.4 30.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.421 -0.799 . . . . 0.43 109.665 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.63 -34.9 39.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.362 -0.836 . . . . 1.69 109.879 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.06 -47.71 83.5 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.146 -0.971 . . . . 0.43 109.755 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.32 -44.82 96.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.245 -0.91 . . . . 0.27 109.178 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -53.11 -42.02 65.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 2.45 109.983 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.36 -49.6 77.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.209 -0.932 . . . . 1.75 109.896 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.3 -33.06 71.82 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.131 -0.98 . . . . 0.31 108.849 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.13 -57.1 14.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.525 -0.735 . . . . 1.22 109.618 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.13 -26.47 68.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 1.73 110.144 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.81 -60.9 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.138 -0.976 . . . . 0.28 110.179 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.14 -38.33 82.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.31 109.558 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.65 -36.09 75.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.91 109.528 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.656 HD11 ' OE1' ' C' ' 354' ' ' GLN . 37.9 tp -64.96 -40.92 95.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.164 -0.96 . . . . 0.43 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' HD22 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.96 -50.7 71.08 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 1.57 108.932 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -57.27 -32.66 66.83 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.623 -0.673 . . . . 1.44 109.807 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.45 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.64 109.777 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.765 ' OE1' HD11 ' C' ' 350' ' ' LEU . 5.0 mt-30 -82.68 -6.81 59.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.928 . . . . 1.21 109.745 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.01 -10.77 60.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.124 -0.985 . . . . 1.22 109.722 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.08 -11.09 73.69 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.691 -1.364 . . . . 1.5 109.691 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.74 127.66 35.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.17 -1.194 . . . . 4.18 109.672 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.428 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 0.2 OUTLIER -51.09 157.43 1.48 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 5.67 109.423 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.428 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -61.14 124.33 14.63 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.169 1.913 . . . . 5.65 110.213 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.959 -1.467 . . . . 7.27 109.63 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 79.9 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.49 -0.559 . . . . 7.33 109.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.09 122.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.95 . . . . 7.21 109.579 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.09 89.34 0.11 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 6.47 109.379 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.91 105.25 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.224 1.95 . . . . 4.53 110.499 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.424 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 42.8 mt -80.72 142.24 34.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 4.35 109.074 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.25 5.04 15.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 2.48 109.929 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.419 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -68.69 138.93 32.41 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.457 -1.457 . . . . 0.98 109.457 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.43 126.59 27.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.576 -0.955 . . . . 1.7 109.759 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.424 ' OH ' ' HB2' ' A' ' 323' ' ' LEU . 46.0 m-85 -94.49 156.63 16.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.119 -0.988 . . . . 0.61 109.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.3 m-85 -140.34 -175.16 4.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.176 -0.953 . . . . 0.58 109.736 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.564 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.7 p -152.91 156.86 39.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.42 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.2 130.67 16.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.36 109.721 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.82 130.88 34.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 1.37 109.408 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' A' ' 341' ' ' PHE . 31.7 mt -123.51 116.04 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.47 109.268 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 149.19 43.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 2.1 109.445 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.65 133.73 4.15 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.525 -1.43 . . . . 0.42 109.525 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -75.3 -45.46 39.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -1.165 . . . . 2.68 109.486 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -46.62 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 2.22 109.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.524 ' HB2' ' NH1' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -59.3 -45.57 90.92 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 2.77 109.889 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.578 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.0 t80 -54.77 -55.73 26.94 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.372 -0.83 . . . . 0.43 109.858 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.58 -39.35 57.75 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.66 110.236 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.36 -47.7 81.03 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.09 -1.006 . . . . 0.44 110.537 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.33 -52.31 65.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.046 -1.034 . . . . 0.29 109.444 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.79 -38.25 47.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.39 -0.819 . . . . 2.44 109.631 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.21 -42.84 99.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.74 109.848 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 84.3 mt -62.5 -46.07 90.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.197 -0.94 . . . . 0.3 109.564 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.17 -44.0 87.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.388 -0.82 . . . . 1.22 109.958 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.66 97.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.72 110.023 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.33 -52.73 64.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 0.27 110.176 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.01 -40.35 93.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.267 -0.895 . . . . 0.29 109.793 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.91 109.64 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 22.5 tp -63.71 -44.58 93.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -0.892 . . . . 0.41 109.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.87 -48.2 80.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.311 -0.868 . . . . 1.56 109.233 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.46 -31.88 66.39 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.477 -0.765 . . . . 1.43 109.792 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.43 90.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.66 109.523 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -82.21 -6.41 59.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 1.18 109.533 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.14 -16.17 61.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 1.23 109.605 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 -25.0 38.61 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.427 -1.469 . . . . 1.54 109.427 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 152.11 21.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.4 -1.059 . . . . 4.18 109.314 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 4.9 mt-10 -50.41 156.89 1.35 Allowed Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.929 . . . . 5.71 109.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 3.3 Cg_exo -60.65 128.07 24.63 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.161 1.907 . . . . 5.61 110.267 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.962 -1.466 . . . . 7.24 109.496 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.463 -0.569 . . . . 7.34 109.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.27 122.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 7.17 109.455 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.1 89.29 0.11 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 6.44 109.374 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.99 105.3 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.125 1.883 . . . . 4.54 110.493 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.43 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 42.2 mt -80.67 142.25 34.11 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.292 -0.88 . . . . 4.32 109.079 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -80.32 4.93 16.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 2.47 109.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -68.62 138.8 32.37 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.539 -1.424 . . . . 0.95 109.539 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.32 126.49 27.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.504 -0.998 . . . . 1.61 109.763 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.43 ' OH ' ' HB2' ' B' ' 323' ' ' LEU . 45.6 m-85 -94.38 156.63 16.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.301 -0.874 . . . . 0.57 109.096 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 70.3 m-85 -140.48 -175.28 4.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.094 -1.004 . . . . 0.53 109.694 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.503 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 17.8 p -152.77 157.01 40.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.38 109.228 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.25 130.64 16.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.17 -0.956 . . . . 0.36 109.66 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.89 131.0 34.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 1.36 109.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' B' ' 341' ' ' PHE . 31.4 mt -123.56 115.91 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.229 -0.92 . . . . 0.49 109.383 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 149.21 43.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 2.1 109.412 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.55 133.79 4.12 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.589 -1.405 . . . . 0.44 109.589 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.2 ttt180 -75.36 -45.42 39.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -1.122 . . . . 2.72 109.453 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.33 -46.76 85.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.825 . . . . 2.21 109.444 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.513 ' HB2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -59.4 -45.54 91.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.228 -0.92 . . . . 2.79 109.802 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.1 t80 -54.74 -55.65 27.67 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.421 -0.799 . . . . 0.45 109.887 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.56 -39.36 57.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.874 . . . . 1.68 110.277 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.43 -47.72 80.75 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.087 -1.008 . . . . 0.43 110.493 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' B' ' 332' ' ' ILE . 28.2 m-85 -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.989 -1.07 . . . . 0.28 109.462 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.84 -38.26 47.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.344 -0.848 . . . . 2.52 109.582 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.19 -42.93 99.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.124 -0.985 . . . . 1.75 109.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 84.7 mt -62.35 -46.21 89.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.335 -0.853 . . . . 0.31 109.614 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.04 -43.98 87.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.29 -0.881 . . . . 1.21 109.991 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.304 -0.873 . . . . 1.69 110.021 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.44 -52.64 64.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.27 110.143 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.153 -0.967 . . . . 0.3 109.874 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 1.93 109.805 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 22.2 tp -63.69 -44.63 93.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -0.904 . . . . 0.4 109.596 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.78 -48.23 80.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.435 -0.791 . . . . 1.59 109.281 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.34 -32.01 66.29 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.563 -0.711 . . . . 1.43 109.735 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.29 90.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.65 109.577 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -82.31 -6.31 59.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 1.19 109.493 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.98 61.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.17 -0.956 . . . . 1.22 109.648 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.19 -25.05 38.21 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.314 -1.514 . . . . 1.53 109.314 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.18 152.08 21.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -1.094 . . . . 4.21 109.283 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 4.8 mt-10 -50.27 156.9 1.3 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.99 . . . . 5.68 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -60.74 128.18 24.88 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.217 1.945 . . . . 5.57 110.199 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 117.931 -1.483 . . . . 7.2 109.486 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.481 -0.562 . . . . 8.96 109.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.17 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.22 -0.925 . . . . 8.15 109.551 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 58.13 89.4 0.11 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.917 . . . . 7.15 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.97 105.28 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.181 1.921 . . . . 4.35 110.433 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.427 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 42.5 mt -80.68 142.18 34.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.361 -0.837 . . . . 4.63 109.113 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -80.27 4.96 16.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 2.85 109.965 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -68.6 138.84 32.46 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.479 -1.448 . . . . 1.12 109.479 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.32 126.43 27.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.392 -1.064 . . . . 2.11 109.807 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 46.5 m-85 -94.35 156.65 16.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.64 109.145 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.4 m-85 -140.43 -175.17 4.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.141 -0.974 . . . . 0.49 109.68 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.56 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 17.6 p -152.88 156.87 39.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.363 -0.836 . . . . 0.47 109.208 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.21 130.65 16.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.119 -0.988 . . . . 0.42 109.68 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -86.93 131.03 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 1.81 109.405 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.595 HG21 ' HD2' ' C' ' 341' ' ' PHE . 31.8 mt -123.56 116.06 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.42 109.31 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -73.0 149.17 43.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 2.35 109.393 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.76 4.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.548 -1.421 . . . . 0.41 109.548 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.4 ttt180 -75.34 -45.43 39.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -1.13 . . . . 2.59 109.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.3 -46.75 85.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 2.54 109.449 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.295 -0.878 . . . . 3.39 109.904 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.586 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.71 -55.79 26.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.434 -0.792 . . . . 0.47 109.816 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.49 -39.42 57.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 1.66 110.266 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.39 -47.77 80.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.076 -1.015 . . . . 0.61 110.399 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' C' ' 332' ' ' ILE . 28.4 m-85 -61.3 -52.18 65.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.1 -1.0 . . . . 0.33 109.506 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.87 -38.29 48.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.301 -0.874 . . . . 3.28 109.58 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.17 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 1.78 109.77 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' D' ' 344' ' ' LEU . 84.2 mt -62.49 -46.19 89.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.38 109.539 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -57.95 -44.17 86.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 1.2 109.915 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.56 97.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.294 -0.879 . . . . 2.12 110.088 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.39 -52.62 64.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.245 -0.909 . . . . 0.26 110.198 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.09 -40.39 93.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -0.958 . . . . 0.4 109.737 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.99 -36.44 79.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 2.09 109.656 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 22.4 tp -63.59 -44.79 92.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.75 109.559 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.69 -48.36 79.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 2.19 109.215 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.37 -31.95 66.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.457 -0.777 . . . . 1.34 109.754 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.34 90.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.72 109.559 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -82.22 -6.45 59.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 1.8 109.52 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.1 -16.01 62.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 1.39 109.674 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -25.02 38.36 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.431 -1.468 . . . . 1.66 109.431 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.24 152.06 21.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -1.13 . . . . 4.45 109.331 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 4.9 mt-10 -50.21 156.79 1.3 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.149 -0.97 . . . . 6.19 109.355 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.416 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 3.3 Cg_exo -60.63 128.16 24.96 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.234 1.956 . . . . 5.58 110.183 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.013 -1.437 . . . . 6.9 109.581 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 79.9 mttt . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.301 0.572 . . . . 7.36 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.13 122.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 7.15 109.428 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.1 89.33 0.11 Allowed Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.235 -0.915 . . . . 6.5 109.325 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.97 105.33 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.289 1.993 . . . . 4.5 110.427 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.431 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 42.4 mt -80.82 142.2 33.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 4.32 109.031 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.27 5.05 15.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.197 -0.94 . . . . 2.46 109.919 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -68.68 138.91 32.41 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.442 -1.463 . . . . 0.97 109.442 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.33 126.53 27.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.491 -1.005 . . . . 1.67 109.815 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 45.9 m-85 -94.45 156.65 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.61 109.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.6 m-85 -140.54 -175.31 4.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.56 109.678 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.7 p -152.73 156.9 40.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 0.43 109.17 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.24 130.7 16.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 0.35 109.632 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 16.1 tt0 -86.84 131.03 34.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.37 109.345 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.593 HG21 ' HD2' ' D' ' 341' ' ' PHE . 32.2 mt -123.71 115.95 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.48 109.223 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.408 ' CZ ' ' HA3' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -72.95 149.21 43.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 2.08 109.458 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.81 4.15 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.596 -1.402 . . . . 0.4 109.596 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -75.41 -45.41 39.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -1.144 . . . . 2.64 109.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -58.25 -46.71 85.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.318 -0.864 . . . . 2.22 109.562 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -59.35 -45.58 90.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.292 -0.88 . . . . 2.74 109.873 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' D' ' 332' ' ' ILE . 53.5 t80 -54.74 -55.69 27.26 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.402 -0.811 . . . . 0.43 109.884 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.54 -39.4 57.66 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.296 -0.877 . . . . 1.69 110.288 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.4 -47.72 80.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.034 -1.041 . . . . 0.43 110.507 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.593 ' HD2' HG21 ' D' ' 332' ' ' ILE . 28.1 m-85 -61.32 -52.22 65.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.009 -1.057 . . . . 0.27 109.431 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.85 -38.29 48.29 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.426 -0.796 . . . . 2.45 109.522 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -61.15 -42.89 99.36 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.161 -0.962 . . . . 1.75 109.85 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' C' ' 344' ' ' LEU . 84.6 mt -62.35 -46.2 89.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.31 109.576 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.11 -44.03 87.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.385 -0.822 . . . . 1.22 109.945 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.4 -40.57 97.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 1.73 110.056 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.3 -52.85 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.28 110.189 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.93 -40.34 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 0.31 109.809 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.01 -36.43 79.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 1.91 109.755 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 22.4 tp -63.75 -44.5 93.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.881 . . . . 0.43 109.627 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.85 -48.23 79.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.453 -0.78 . . . . 1.57 109.207 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.37 -31.93 66.28 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.602 -0.686 . . . . 1.44 109.761 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.33 90.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.64 109.516 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -82.31 -6.32 59.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 1.21 109.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.14 -16.03 61.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.169 -0.957 . . . . 1.22 109.711 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.08 -25.06 38.53 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 1.5 109.427 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.3 151.96 21.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.329 -1.101 . . . . 4.18 109.284 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.407 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 4.9 mt-10 -50.12 156.81 1.27 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 5.67 109.421 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 3.3 Cg_exo -60.62 128.04 24.58 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.263 1.975 . . . . 5.65 110.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.015 -1.436 . . . . 7.27 109.537 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.302 0.572 . . . . 7.33 109.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.03 81.68 0.12 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 7.21 109.546 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.91 91.18 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 6.47 109.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.28 -2.03 7.43 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.118 1.879 . . . . 4.53 110.881 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.29 104.68 12.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.877 -1.139 . . . . 4.35 109.722 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.417 ' CB ' ' HD2' ' C' ' 333' ' ' ARG . 5.1 m-20 -82.11 -159.12 0.28 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 2.48 109.316 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.05 179.79 23.12 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.458 -1.457 . . . . 0.98 109.458 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.14 135.81 57.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.259 -1.142 . . . . 1.7 109.608 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -95.58 144.92 25.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 0.61 109.401 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 51.0 m-85 -138.66 137.28 36.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.16 -0.962 . . . . 0.58 109.243 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 19.4 p -92.12 176.66 6.42 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.453 -0.779 . . . . 0.42 109.716 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' C' ' 342' ' ' ARG . 15.2 tp -148.83 129.13 13.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.481 -0.762 . . . . 0.36 109.05 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.66 120.46 27.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 1.37 109.802 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 341' ' ' PHE . 42.5 mt -123.88 106.66 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.47 109.427 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -73.75 139.06 44.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 2.1 109.51 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.05 7.54 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 13.5 ttp180 -82.21 -59.59 2.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -1.188 . . . . 2.68 109.529 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.47 -40.83 83.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.899 . . . . 2.22 109.563 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.836 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -62.55 -44.2 96.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.863 . . . . 2.77 109.298 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 24.5 t80 -54.9 -47.09 74.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.402 -0.811 . . . . 0.43 109.288 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.19 -40.97 59.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.66 110.005 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -62.72 -46.23 89.06 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.936 . . . . 0.44 110.273 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 22.1 m-85 -61.02 -56.26 23.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.064 -1.023 . . . . 0.29 109.409 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' C' ' 330' ' ' LEU . 9.1 ttm180 -49.93 -34.44 20.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.402 -0.812 . . . . 2.44 109.597 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.44 -49.98 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 1.74 109.435 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 344' ' ' LEU . 96.5 mt -61.42 -34.98 76.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.3 108.929 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.16 66.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.389 -0.819 . . . . 1.22 109.506 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.8 -33.24 74.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.377 -0.827 . . . . 1.72 109.91 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.96 -53.63 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.254 -0.904 . . . . 0.27 110.065 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' NH1' ' C' ' 337' ' ' ARG . 59.2 mt -61.22 -41.12 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.29 109.762 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.09 -37.45 82.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 1.91 110.001 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.9 -44.78 88.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.41 109.506 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.0 ttmt -61.67 -43.65 98.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 1.56 109.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.25 -33.12 67.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.525 -0.734 . . . . 1.43 109.794 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.35 87.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.66 109.791 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.05 -11.11 58.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.139 -0.976 . . . . 1.18 109.601 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.27 -30.21 63.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 1.23 109.813 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.26 -20.52 54.73 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.012 -1.235 . . . . 1.54 110.012 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 3.7 mttp -89.63 61.93 5.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.12 -1.224 . . . . 4.18 109.431 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.13 106.77 0.64 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.873 . . . . 5.71 109.67 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.3 Cg_endo -62.92 137.57 63.32 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 121.952 1.768 . . . . 5.61 110.31 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 117.981 -1.455 . . . . 7.24 109.59 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.291 0.567 . . . . 7.34 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.04 81.61 0.12 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.291 -0.881 . . . . 7.17 109.553 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.04 91.04 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 6.44 109.371 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.25 -1.89 7.16 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.101 1.867 . . . . 4.54 110.943 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.29 104.65 12.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.915 -1.116 . . . . 4.32 109.656 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.424 ' CB ' ' HD2' ' D' ' 333' ' ' ARG . 5.0 m-20 -82.0 -159.18 0.28 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 2.47 109.347 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 179.75 22.48 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.95 109.521 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.21 135.82 57.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.139 -1.212 . . . . 1.61 109.586 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.61 145.04 25.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.968 . . . . 0.57 109.418 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 51.1 m-85 -138.79 137.34 36.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.53 109.225 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 19.0 p -92.3 176.46 6.47 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.363 -0.836 . . . . 0.38 109.719 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' D' ' 342' ' ' ARG . 15.2 tp -148.61 129.19 14.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.432 -0.793 . . . . 0.36 109.06 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.36 27.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.839 . . . . 1.36 109.831 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' B' ' 341' ' ' PHE . 42.7 mt -123.78 106.72 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.49 109.378 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.84 139.1 44.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.1 109.432 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.18 136.97 7.5 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.753 -1.339 . . . . 0.44 109.753 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 13.5 ttp180 -81.99 -59.76 2.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.251 -1.147 . . . . 2.72 109.515 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.95 83.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.229 -0.919 . . . . 2.21 109.522 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.775 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.1 tpp180 -62.45 -44.22 96.94 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.359 -0.838 . . . . 2.79 109.256 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 24.6 t80 -54.83 -47.33 74.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.372 -0.83 . . . . 0.45 109.266 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.14 -40.79 59.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.68 110.01 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.79 -46.34 88.44 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 0.43 110.203 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.642 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 21.9 m-85 -61.01 -56.2 23.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.28 109.431 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.599 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.1 ttm180 -50.05 -34.45 21.53 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.352 -0.843 . . . . 2.52 109.49 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.4 -49.96 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.064 -1.023 . . . . 1.75 109.534 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 344' ' ' LEU . 96.5 mt -61.33 -34.99 76.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.304 -0.873 . . . . 0.31 109.022 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.3 t-20 -58.89 -52.14 67.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.47 -0.769 . . . . 1.21 109.465 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.79 -33.29 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.415 -0.803 . . . . 1.69 109.837 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.02 -53.63 54.85 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.27 109.999 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.763 HD22 ' NH1' ' D' ' 337' ' ' ARG . 58.7 mt -61.12 -41.33 96.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.3 109.764 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.85 -37.6 82.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.353 -0.842 . . . . 1.93 109.989 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.88 -44.72 88.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.4 109.581 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.0 ttmt -61.62 -43.77 98.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.431 -0.793 . . . . 1.59 109.243 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.03 67.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.528 -0.733 . . . . 1.43 109.839 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.44 87.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.186 -0.946 . . . . 0.65 109.864 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.01 -11.16 58.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 1.19 109.624 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.19 -30.32 63.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.966 . . . . 1.22 109.772 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.11 -20.58 54.93 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.048 -1.221 . . . . 1.53 110.048 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 3.7 mttp -89.65 62.0 5.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.236 . . . . 4.21 109.471 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.09 106.83 0.65 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 5.68 109.636 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.3 Cg_endo -62.93 137.63 63.63 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.0 1.8 . . . . 5.57 110.237 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.923 -1.487 . . . . 7.2 109.578 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.268 0.556 . . . . 8.96 109.592 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.11 81.61 0.12 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 8.15 109.562 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.82 91.19 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.275 -0.89 . . . . 7.15 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.21 -2.0 7.32 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.152 1.901 . . . . 4.35 110.971 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -82.29 104.76 12.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.977 -1.077 . . . . 4.63 109.674 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 333' ' ' ARG . 5.1 m-20 -82.08 -159.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.19 -0.944 . . . . 2.85 109.308 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 179.8 22.9 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.456 -1.458 . . . . 1.12 109.456 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -59.07 135.71 57.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.166 -1.196 . . . . 2.11 109.57 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 15.2 m-85 -95.47 145.05 25.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.64 109.444 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 50.8 m-85 -138.82 137.33 36.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.27 -0.894 . . . . 0.49 109.223 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.31 176.43 6.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.509 -0.744 . . . . 0.47 109.729 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' ' 342' ' ' ARG . 15.2 tp -148.61 129.1 13.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.407 -0.808 . . . . 0.42 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.51 27.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.81 109.844 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.519 HD13 ' CB ' ' C' ' 341' ' ' PHE . 43.1 mt -123.96 106.65 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.42 109.399 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HD2' ' CB ' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.86 139.17 44.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 2.35 109.467 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.19 137.04 7.52 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.671 -1.372 . . . . 0.41 109.671 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 13.5 ttp180 -82.12 -59.58 2.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -1.092 . . . . 2.59 109.517 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.98 83.88 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.867 . . . . 2.54 109.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.766 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.27 96.77 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.268 -0.895 . . . . 3.39 109.174 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.81 -47.23 74.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.396 -0.815 . . . . 0.47 109.248 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.18 -40.86 59.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 1.66 109.998 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.83 -46.15 89.26 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.61 110.27 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 22.3 m-85 -60.93 -56.44 21.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.135 -0.978 . . . . 0.33 109.385 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 330' ' ' LEU . 9.1 ttm180 -49.96 -34.38 20.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 3.28 109.522 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.46 -49.87 75.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.196 -0.94 . . . . 1.78 109.543 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' D' ' 344' ' ' LEU . 96.5 mt -61.44 -34.98 76.34 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.38 109.021 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.9 t30 -58.86 -52.07 67.32 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.392 -0.818 . . . . 1.2 109.508 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -62.79 -33.26 74.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.435 -0.791 . . . . 2.12 109.88 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.07 -53.7 53.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.26 109.921 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 HH12 ' A' ' 337' ' ' ARG . 58.9 mt -61.08 -41.46 96.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.4 109.724 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.53 82.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 2.09 109.944 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.673 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -65.03 -44.57 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.75 109.566 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 2.19 109.393 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.39 -33.0 67.38 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 1.34 109.868 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.4 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.72 109.758 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -82.92 -11.16 58.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 1.8 109.628 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.29 63.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 1.39 109.75 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -20.65 54.66 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.997 -1.241 . . . . 1.66 109.997 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 3.8 mttp -89.57 62.05 5.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.246 . . . . 4.45 109.386 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.26 106.77 0.65 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.896 . . . . 6.19 109.702 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 2.2 Cg_endo -62.78 137.53 63.8 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 121.976 1.784 . . . . 5.58 110.371 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 117.919 -1.489 . . . . 6.9 109.597 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.285 0.564 . . . . 7.36 109.625 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.33 81.53 0.13 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.3 -0.875 . . . . 7.15 109.495 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.89 91.16 0.08 OUTLIER Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 6.5 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.27 -1.97 7.32 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.138 1.892 . . . . 4.5 110.93 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.29 104.76 12.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.006 -1.059 . . . . 4.32 109.677 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 5.0 m-20 -82.01 -159.16 0.28 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.11 -0.994 . . . . 2.46 109.334 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 179.78 22.94 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.488 -1.445 . . . . 0.97 109.488 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.09 135.78 57.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.261 -1.14 . . . . 1.67 109.58 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 15.0 m-85 -95.61 145.06 25.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.61 109.392 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 50.4 m-85 -138.79 137.25 36.5 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.18 -0.95 . . . . 0.56 109.33 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.25 176.3 6.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.455 -0.778 . . . . 0.43 109.713 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' B' ' 342' ' ' ARG . 15.2 tp -148.46 129.17 14.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.35 109.11 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.61 120.39 27.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.218 -0.926 . . . . 1.37 109.862 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CB ' ' D' ' 341' ' ' PHE . 42.8 mt -123.9 106.57 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 0.48 109.526 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.424 ' HD2' ' CB ' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.67 139.13 45.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.293 -0.879 . . . . 2.08 109.507 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.12 137.0 7.53 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.834 -1.306 . . . . 0.4 109.834 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 13.4 ttp180 -82.18 -59.58 2.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -1.107 . . . . 2.64 109.494 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.38 -40.99 83.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 2.22 109.53 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.763 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.29 96.72 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.27 -0.894 . . . . 2.74 109.175 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.4 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 24.7 t80 -54.72 -47.26 73.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.43 109.359 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.12 -40.85 59.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.217 -0.927 . . . . 1.69 110.092 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.2 ttp -62.69 -46.42 88.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.126 -0.984 . . . . 0.43 110.169 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.638 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 22.2 m-85 -60.89 -56.4 21.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.27 109.458 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.585 ' HA ' HD11 ' B' ' 330' ' ' LEU . 9.1 ttm180 -49.84 -34.51 20.09 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.283 -0.886 . . . . 2.45 109.536 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.41 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 1.75 109.593 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' C' ' 344' ' ' LEU . 96.5 mt -61.29 -35.1 76.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.198 -0.939 . . . . 0.31 109.028 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.435 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.2 t-20 -58.69 -52.22 66.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.423 -0.798 . . . . 1.22 109.553 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.75 -33.37 75.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 1.73 109.833 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.85 -53.76 53.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.915 . . . . 0.28 109.956 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.775 HD22 ' NH1' ' B' ' 337' ' ' ARG . 59.5 mt -61.11 -41.42 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.31 109.728 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.5 82.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.91 110.023 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.672 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.95 -44.67 88.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.43 109.568 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.515 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.72 98.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 1.57 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.17 -33.22 67.22 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.584 -0.698 . . . . 1.44 109.837 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.45 87.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.64 109.838 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -82.93 -11.14 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.924 . . . . 1.21 109.678 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.35 63.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 1.22 109.759 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.13 -20.64 54.78 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.097 -1.201 . . . . 1.5 110.097 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 3.8 mttp -89.59 61.97 5.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -1.233 . . . . 4.18 109.447 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 106.82 0.65 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 5.67 109.62 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.3 Cg_endo -62.96 137.6 63.3 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.971 1.781 . . . . 5.65 110.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.95 -1.472 . . . . 7.27 109.566 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.267 0.556 . . . . 7.33 109.538 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 319' ' ' LYS . 8.3 tttt 61.99 120.23 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.215 -0.928 . . . . 7.21 109.46 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 135.87 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 6.47 109.546 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.24 -152.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 121.997 1.798 . . . . 4.53 110.196 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.99 157.03 28.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 4.35 109.452 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -79.18 -138.64 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.339 -0.85 . . . . 2.48 109.379 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.07 159.51 49.57 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.528 -1.429 . . . . 0.98 109.528 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.23 145.66 36.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -1.173 . . . . 1.7 109.533 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.0 m-85 -93.39 152.39 19.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.21 -0.931 . . . . 0.61 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.5 m-85 -139.24 -168.7 2.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.58 109.663 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.8 p -152.42 160.92 43.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.862 . . . . 0.42 109.465 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.9 133.52 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.36 109.404 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.44 129.11 34.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.334 -0.854 . . . . 1.37 109.403 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 338' ' ' PHE . 30.5 mt -123.94 118.57 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.47 109.485 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.97 150.15 40.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.848 . . . . 2.1 109.588 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 134.22 5.36 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.727 -1.349 . . . . 0.42 109.727 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.84 -53.7 6.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.176 -1.191 . . . . 2.68 109.327 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -46.17 87.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 2.22 109.274 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.446 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 0.4 OUTLIER -60.99 -41.24 96.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.354 -0.841 . . . . 2.77 109.318 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 332' ' ' ILE . 49.2 t80 -55.23 -56.12 23.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.465 -0.772 . . . . 0.43 109.593 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.87 -33.62 24.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.404 -0.81 . . . . 1.66 109.867 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.37 75.19 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.44 109.916 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.38 -48.88 79.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.29 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.51 -37.98 51.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 2.44 109.503 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -47.7 84.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.311 -0.868 . . . . 1.74 109.659 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 344' ' ' LEU . 49.2 mt -61.46 -33.98 74.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.27 -0.893 . . . . 0.3 108.735 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.71 -57.46 12.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.495 -0.753 . . . . 1.22 109.429 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -26.11 68.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.72 109.824 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.97 -57.9 10.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.144 -0.973 . . . . 0.27 110.022 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.66 -40.13 90.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.29 109.461 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -35.63 73.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.239 -0.913 . . . . 1.91 109.294 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.578 HD22 ' HD3' ' B' ' 351' ' ' LYS . 10.3 tp -64.98 -40.73 95.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.376 -0.827 . . . . 0.41 109.222 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.426 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -62.51 -50.36 71.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.461 -0.774 . . . . 1.56 109.073 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -30.11 60.75 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.616 -0.677 . . . . 1.43 109.702 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.74 82.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.897 . . . . 0.66 109.736 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.41 ' OE1' HD21 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -82.81 -9.25 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 1.18 109.612 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.68 60.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.002 . . . . 1.23 109.214 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.85 43.54 3.25 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.586 -1.406 . . . . 1.54 109.586 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.27 137.6 32.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -1.154 . . . . 4.18 109.525 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.27 155.78 1.62 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.322 -0.862 . . . . 5.71 109.34 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.52 -1.8 7.23 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.168 1.912 . . . . 5.61 110.856 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.47 -1.452 . . . . 7.24 109.47 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.349 0.595 . . . . 7.34 109.522 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' B' ' 319' ' ' LYS . 8.3 tttt 62.1 120.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 7.17 109.487 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 135.81 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.293 -0.879 . . . . 6.44 109.511 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.28 -152.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.094 1.863 . . . . 4.54 110.174 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.92 157.04 28.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.159 -0.963 . . . . 4.32 109.465 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.23 -139.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.284 -0.885 . . . . 2.47 109.318 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.31 159.4 47.55 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.643 -1.383 . . . . 0.95 109.643 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.27 145.7 36.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -1.113 . . . . 1.61 109.514 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 7.8 m-85 -93.36 152.33 19.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.228 -0.92 . . . . 0.57 109.264 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 68.8 m-85 -139.27 -168.72 2.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.296 -0.878 . . . . 0.53 109.723 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.9 p -152.38 160.87 43.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.38 109.504 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.3 tp -148.81 133.46 17.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.36 109.522 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.18 34.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.36 109.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 338' ' ' PHE . 30.9 mt -123.97 118.52 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.49 109.506 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.94 150.2 40.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 2.1 109.652 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.57 134.18 5.27 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.784 -1.326 . . . . 0.44 109.784 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -80.7 -53.77 6.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -1.191 . . . . 2.72 109.398 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -46.33 86.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 2.21 109.293 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 0.4 OUTLIER -60.91 -41.3 95.87 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.313 -0.867 . . . . 2.79 109.296 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.484 ' CD1' HD12 ' B' ' 332' ' ' ILE . 49.3 t80 -55.28 -56.01 24.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.799 . . . . 0.45 109.6 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.01 -33.48 25.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.341 -0.85 . . . . 1.68 109.9 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.44 74.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.164 -0.96 . . . . 0.43 109.893 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -48.8 79.52 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.28 109.307 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.53 -38.06 52.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 2.52 109.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.78 84.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.157 -0.965 . . . . 1.75 109.675 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 344' ' ' LEU . 49.6 mt -61.4 -33.96 74.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.31 108.729 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.84 -57.4 13.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.457 -0.777 . . . . 1.21 109.404 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -26.11 68.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 1.69 109.793 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.96 -58.0 10.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.27 109.979 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.401 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 38.4 mt -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.3 109.488 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.11 -35.69 73.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 1.93 109.39 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.426 HD22 ' HD3' ' A' ' 351' ' ' LYS . 10.3 tp -64.97 -40.67 95.33 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.4 109.304 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.578 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.4 -50.4 71.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.662 0.744 . . . . 1.59 109.065 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -30.04 61.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.708 -0.62 . . . . 1.43 109.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.98 81.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.815 . . . . 0.65 109.638 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -9.26 59.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.107 -0.996 . . . . 1.19 109.689 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.69 -22.6 60.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 1.22 109.242 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 43.45 3.24 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.638 -1.385 . . . . 1.53 109.638 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.29 137.53 32.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -1.205 . . . . 4.21 109.442 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.34 155.85 1.63 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 5.68 109.369 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -67.52 -1.85 7.31 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.241 1.961 . . . . 5.57 110.763 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 118.045 -1.42 . . . . 7.2 109.562 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.362 0.601 . . . . 8.96 109.477 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' C' ' 319' ' ' LYS . 8.2 tttt 62.07 120.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 8.15 109.547 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.18 135.83 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.346 -0.846 . . . . 7.15 109.546 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.39 -152.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.004 1.803 . . . . 4.35 110.144 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.9 157.01 28.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.227 -0.921 . . . . 4.63 109.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -79.09 -138.84 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 2.85 109.479 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.8 159.48 48.9 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.599 -1.401 . . . . 1.12 109.599 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.24 145.57 37.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -1.126 . . . . 2.11 109.493 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 7.9 m-85 -93.3 152.4 19.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.29 -0.881 . . . . 0.64 109.283 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.5 m-85 -139.23 -168.71 2.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 0.49 109.705 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.9 p -152.38 160.98 43.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.47 109.445 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.4 tp -148.96 133.41 17.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.949 . . . . 0.42 109.494 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 17.2 tt0 -86.32 129.01 35.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 1.81 109.472 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.486 HD12 ' CD1' ' C' ' 338' ' ' PHE . 30.5 mt -123.87 118.58 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.42 109.587 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.99 150.1 40.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 2.35 109.703 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.61 134.2 5.3 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.822 -1.311 . . . . 0.41 109.822 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.47 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.69 -53.87 6.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -1.142 . . . . 2.59 109.301 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -46.41 86.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 2.54 109.326 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -41.27 95.5 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.332 -0.855 . . . . 3.39 109.342 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' C' ' 332' ' ' ILE . 49.6 t80 -55.25 -56.07 24.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 0.47 109.611 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.98 -33.56 25.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 1.66 109.912 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.77 -49.34 75.38 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.183 -0.948 . . . . 0.61 109.942 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.46 -49.04 78.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.33 109.113 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.4 -37.98 51.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 3.28 109.485 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -47.69 84.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.249 -0.907 . . . . 1.78 109.715 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' D' ' 344' ' ' LEU . 49.7 mt -61.52 -33.81 74.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.38 108.773 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -58.86 -57.4 13.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.438 -0.788 . . . . 1.2 109.4 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -26.01 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.438 -0.789 . . . . 2.12 109.727 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.03 -57.95 10.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.311 -0.868 . . . . 0.26 109.966 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.446 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 37.7 mt -60.63 -40.24 91.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.4 109.427 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.07 -35.68 73.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 2.09 109.316 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 10.3 tp -64.95 -40.74 95.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.75 109.25 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.28 72.13 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 2.19 109.132 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.708 -0.62 . . . . 1.34 109.634 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.98 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.72 109.699 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -82.78 -9.13 59.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.143 -0.973 . . . . 1.8 109.645 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.8 -22.49 60.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.172 -0.955 . . . . 1.39 109.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.93 43.41 3.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.555 -1.418 . . . . 1.66 109.555 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.21 137.56 32.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -1.175 . . . . 4.45 109.458 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.28 155.71 1.64 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.254 -0.904 . . . . 6.19 109.426 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.36 -1.91 7.29 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.259 1.973 . . . . 5.58 110.806 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.479 -1.449 . . . . 6.9 109.479 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.427 -0.583 . . . . 7.36 109.427 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 319' ' ' LYS . 8.3 tttt 62.03 120.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.33 -0.856 . . . . 7.15 109.47 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.24 135.82 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 6.5 109.539 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.39 -152.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.104 1.87 . . . . 4.5 110.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.9 156.97 28.36 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.241 -0.912 . . . . 4.32 109.517 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.03 -138.9 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 2.46 109.459 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.9 159.55 49.1 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.602 -1.399 . . . . 0.97 109.602 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.19 145.57 36.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -1.129 . . . . 1.67 109.542 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 7.8 m-85 -93.29 152.39 19.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.61 109.328 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.5 m-85 -139.28 -168.67 2.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.957 . . . . 0.56 109.656 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.8 p -152.4 160.87 43.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.43 109.463 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.82 133.45 17.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.35 109.508 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.1 34.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.344 -0.847 . . . . 1.37 109.441 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.478 HD12 ' CD1' ' D' ' 338' ' ' PHE . 30.4 mt -123.94 118.47 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.48 109.509 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.92 150.11 41.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -0.842 . . . . 2.08 109.733 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.55 134.18 5.26 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.825 -1.31 . . . . 0.4 109.825 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -80.62 -53.9 6.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -1.114 . . . . 2.64 109.308 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -46.45 86.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 2.22 109.248 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 0.4 OUTLIER -60.78 -41.27 95.22 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.292 -0.88 . . . . 2.74 109.304 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.25 -56.01 24.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.789 . . . . 0.43 109.625 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.06 -33.53 26.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.432 -0.792 . . . . 1.69 109.866 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.73 -49.38 75.26 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.169 -0.957 . . . . 0.43 109.897 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -49.01 78.56 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.281 -0.887 . . . . 0.27 109.185 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.36 -38.09 51.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 2.45 109.572 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -47.71 84.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.145 -0.972 . . . . 1.75 109.686 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' C' ' 344' ' ' LEU . 49.7 mt -61.45 -33.96 74.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.31 108.739 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -58.72 -57.44 12.99 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.415 -0.803 . . . . 1.22 109.407 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -25.97 68.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.355 -0.841 . . . . 1.73 109.728 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.07 -57.83 10.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.28 110.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 37.6 mt -60.65 -40.1 90.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.31 109.522 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.23 -35.63 73.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.922 . . . . 1.91 109.297 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' C' ' 354' ' ' GLN . 10.3 tp -64.84 -40.78 95.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.43 109.339 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -62.42 -50.29 72.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.433 -0.792 . . . . 1.57 109.129 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -29.98 60.97 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.645 -0.659 . . . . 1.44 109.679 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.04 81.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.271 -0.893 . . . . 0.64 109.731 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -9.26 59.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 1.21 109.684 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.77 -22.46 60.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 1.22 109.235 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.91 43.49 3.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.545 -1.422 . . . . 1.5 109.545 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.18 137.44 32.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -1.195 . . . . 4.18 109.563 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.28 155.89 1.59 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.237 -0.914 . . . . 5.67 109.396 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.52 -1.91 7.43 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.314 2.01 . . . . 5.65 110.839 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.519 -1.432 . . . . 7.27 109.519 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.313 -0.625 . . . . 7.33 109.313 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 14.6 tttm 59.88 76.92 0.34 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 7.21 109.57 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.93 107.08 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 6.47 109.097 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.02 -80.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.019 1.813 . . . . 4.53 110.415 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.0 107.59 11.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.994 -1.066 . . . . 4.35 109.715 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.9 -114.88 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.176 -0.953 . . . . 2.48 109.569 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.01 166.26 47.73 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.634 -1.387 . . . . 0.98 109.634 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.52 129.18 40.84 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -1.046 . . . . 1.7 109.247 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 6.9 m-85 -91.77 153.39 19.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.61 109.394 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.4 m-85 -136.08 -171.26 2.83 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.317 -0.864 . . . . 0.58 109.662 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 13.4 p -151.78 158.53 43.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 0.42 109.067 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.65 133.67 18.17 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.393 -0.817 . . . . 0.36 109.45 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 2.9 tt0 -87.02 129.07 35.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 1.37 109.332 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.9 mt -124.09 113.21 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.47 109.444 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 148.39 42.05 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.173 -0.954 . . . . 2.1 109.826 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.7 132.1 6.89 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.709 -1.356 . . . . 0.42 109.709 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.7 ttt180 -75.05 -58.22 3.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -1.16 . . . . 2.68 109.581 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -44.25 84.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 2.22 109.659 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -42.64 95.32 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.28 -0.887 . . . . 2.77 109.53 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.6 t80 -56.18 -55.56 31.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.43 109.839 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.37 -37.64 49.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.367 -0.833 . . . . 1.66 110.012 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.53 -48.61 78.78 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.197 -0.94 . . . . 0.44 109.79 -179.111 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 29.6 m-85 -59.79 -52.06 67.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.028 -1.045 . . . . 0.29 109.412 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.34 -38.57 59.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.421 -0.799 . . . . 2.44 109.942 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -58.85 -42.84 90.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 1.74 109.767 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' B' ' 344' ' ' LEU . 64.9 mt -61.71 -45.7 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.3 109.461 -179.455 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -57.9 -43.87 86.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 1.22 109.757 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.448 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 3.2 mt-10 -63.01 -37.9 89.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 1.72 109.966 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.38 -52.07 66.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.27 109.879 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.475 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 21.7 mt -60.6 -40.54 92.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.29 109.476 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.31 -38.81 81.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 1.91 109.711 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 21.5 tp -64.03 -42.23 97.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.41 109.575 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 14.7 ttmt -61.99 -45.84 91.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.169 -0.957 . . . . 1.56 109.121 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.74 -30.64 65.73 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.542 -0.724 . . . . 1.43 109.816 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.52 81.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.541 -0.724 . . . . 0.66 109.878 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.419 ' OE1' HD21 ' B' ' 350' ' ' LEU . 8.8 mt-30 -83.39 -10.75 58.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.986 . . . . 1.18 109.88 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -14.99 61.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 1.23 109.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.52 -11.59 74.46 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.601 -1.4 . . . . 1.54 109.601 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 165.17 15.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.146 -1.208 . . . . 4.18 109.49 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.99 134.86 14.6 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 5.71 109.099 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.23 138.86 74.61 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.886 1.724 . . . . 5.61 110.109 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 118.001 -1.444 . . . . 7.24 109.647 179.924 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.378 0.609 . . . . 7.34 109.567 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 14.2 tttm 60.44 76.76 0.35 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.308 -0.87 . . . . 7.17 109.44 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.83 107.05 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 6.44 109.105 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.72 -81.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.851 1.701 . . . . 4.54 110.407 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.09 107.45 11.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.986 -1.071 . . . . 4.32 109.855 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.84 -114.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 2.47 109.838 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.25 166.23 48.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.661 -1.376 . . . . 0.95 109.661 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 129.03 40.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.361 -1.082 . . . . 1.61 109.341 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 6.3 m-85 -91.74 153.44 19.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.57 109.475 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -136.14 -171.08 2.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.53 109.61 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.7 p -151.81 158.6 43.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.38 109.183 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.6 tp -148.61 133.78 18.31 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.2 -0.937 . . . . 0.36 109.545 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 2.9 tt0 -86.99 128.82 35.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.352 -0.843 . . . . 1.36 109.368 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.0 mt -123.89 113.24 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.49 109.447 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.51 42.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 2.1 109.732 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.63 132.21 6.92 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 62.4 ttt180 -75.18 -58.16 3.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -1.191 . . . . 2.72 109.587 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.7 -44.12 85.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 2.21 109.599 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -60.18 -42.41 94.95 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.127 -0.983 . . . . 2.79 109.6 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.5 t80 -56.14 -55.93 27.02 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.438 -0.789 . . . . 0.45 109.821 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -51.06 -37.55 46.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 1.68 109.998 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.5 -48.76 78.14 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.276 -0.89 . . . . 0.43 109.86 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 29.3 m-85 -59.85 -52.02 67.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.037 -1.039 . . . . 0.28 109.362 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -52.34 -38.68 59.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.481 -0.762 . . . . 2.52 109.824 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.75 -42.65 89.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.941 . . . . 1.75 109.886 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' A' ' 344' ' ' LEU . 64.1 mt -61.92 -45.49 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.2 -0.937 . . . . 0.31 109.538 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -58.11 -43.75 87.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 1.21 109.632 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 3.3 mt-10 -63.01 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 1.69 109.918 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -52.21 66.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.27 109.943 -179.507 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 21.7 mt -60.66 -40.29 91.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.3 109.516 -179.624 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.56 -38.89 82.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.213 -0.929 . . . . 1.93 109.633 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.419 HD21 ' OE1' ' A' ' 354' ' ' GLN . 22.3 tp -63.91 -42.2 97.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.4 109.536 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.4 ttmt -62.07 -45.89 91.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 1.59 109.177 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.69 -30.75 65.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.54 -0.725 . . . . 1.43 109.755 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.29 81.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.65 109.988 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.52 -10.83 58.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.19 109.784 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.09 61.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 1.22 109.368 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -11.44 74.57 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.636 -1.386 . . . . 1.53 109.636 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.47 165.28 15.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -1.231 . . . . 4.21 109.362 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -49.11 134.97 15.38 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 5.68 109.056 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -62.4 138.46 71.23 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.016 1.811 . . . . 5.57 109.999 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 CA-C-O 118.048 -1.418 . . . . 7.2 109.646 179.919 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.399 -0.593 . . . . 8.96 109.399 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 14.3 tttm 60.55 76.89 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.326 -0.859 . . . . 8.15 109.482 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 107.26 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 7.15 109.057 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.12 -80.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 121.969 1.779 . . . . 4.35 110.328 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 12.6 mt -79.33 107.33 12.02 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.174 -0.953 . . . . 4.63 109.696 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -82.69 -114.69 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.835 . . . . 2.85 109.717 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.28 166.38 48.23 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.559 -1.417 . . . . 1.12 109.559 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.44 129.24 41.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 2.11 109.285 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 6.2 m-85 -91.84 153.25 19.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.937 . . . . 0.64 109.418 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.2 m-85 -135.82 -170.91 2.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.49 109.484 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 13.4 p -151.95 158.42 43.11 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.309 -0.87 . . . . 0.47 109.13 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -148.69 133.72 18.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.02 128.95 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.373 -0.829 . . . . 1.81 109.364 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.2 mt -124.06 113.16 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.42 109.523 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 148.3 42.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 2.35 109.719 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.94 132.38 7.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 62.5 ttt180 -75.14 -58.53 3.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -1.18 . . . . 2.59 109.555 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -44.29 83.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 2.54 109.736 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.05 -42.62 94.86 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.308 -0.87 . . . . 3.39 109.647 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -56.17 -55.8 28.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.354 -0.841 . . . . 0.47 109.756 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.86 -37.81 45.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.908 . . . . 1.66 110.073 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.41 -48.53 79.31 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.24 -0.912 . . . . 0.61 110.024 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 29.1 m-85 -60.03 -52.22 66.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.33 109.324 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -52.2 -38.79 58.95 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.423 -0.798 . . . . 3.28 109.75 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.76 -42.57 89.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.198 -0.939 . . . . 1.78 109.991 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.84 -45.73 92.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.227 -0.921 . . . . 0.38 109.474 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.87 -43.63 86.12 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.2 109.762 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.418 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 3.3 mt-10 -63.15 -37.98 89.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.308 -0.87 . . . . 2.12 109.813 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.34 -52.14 66.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.892 . . . . 0.26 110.01 -179.33 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.492 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 21.6 mt -60.65 -40.44 92.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.4 109.393 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.32 -38.86 81.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 2.09 109.686 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 21.7 tp -64.07 -42.08 97.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 0.75 109.595 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.09 -45.85 91.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.19 109.18 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.82 -30.57 65.83 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.588 -0.695 . . . . 1.34 109.645 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.79 81.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.44 -0.787 . . . . 0.72 109.957 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -83.24 -10.75 58.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 1.8 109.79 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.131 -0.981 . . . . 1.39 109.445 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.72 -11.19 74.69 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.575 -1.41 . . . . 1.66 109.575 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 165.11 15.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -1.164 . . . . 4.45 109.478 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.97 135.06 14.49 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.129 -0.982 . . . . 6.19 109.211 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.41 138.5 71.39 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.924 1.749 . . . . 5.58 110.237 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.819 -1.312 . . . . 6.9 109.819 -179.902 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 10.4 tttm . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.433 0.635 . . . . 7.36 109.558 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 14.5 tttm 60.19 77.03 0.34 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.234 -0.916 . . . . 7.15 109.417 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.98 107.35 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 6.5 109.019 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.35 -80.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 121.833 1.689 . . . . 4.5 110.426 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 107.52 12.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.959 -1.088 . . . . 4.32 109.611 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -82.82 -114.85 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.86 . . . . 2.46 109.641 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.92 166.56 47.03 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.65 -1.38 . . . . 0.97 109.65 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.64 129.36 41.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.349 -1.089 . . . . 1.67 109.148 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 6.4 m-85 -91.84 153.44 19.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 0.61 109.393 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 83.7 m-85 -136.03 -171.03 2.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.425 -0.797 . . . . 0.56 109.579 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 13.4 p -152.17 158.05 42.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.416 -0.803 . . . . 0.43 109.106 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.34 133.83 18.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 0.35 109.561 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -86.93 128.87 35.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.26 -0.9 . . . . 1.37 109.427 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.2 mt -124.0 113.34 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.282 -0.886 . . . . 0.48 109.468 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.37 42.51 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.348 -0.845 . . . . 2.08 109.692 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.67 132.52 7.06 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.774 -1.33 . . . . 0.4 109.774 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.607 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 62.3 ttt180 -75.35 -58.51 3.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -1.073 . . . . 2.64 109.528 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -44.47 84.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.394 -0.816 . . . . 2.22 109.681 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.92 -42.47 94.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 2.74 109.756 -179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.5 t80 -56.16 -55.68 30.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.835 . . . . 0.43 109.804 -179.651 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -51.23 -37.62 47.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.69 110.012 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -62.56 -48.48 79.3 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.157 -0.964 . . . . 0.43 109.915 -179.03 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 29.2 m-85 -60.03 -52.25 66.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.27 109.316 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.16 -38.74 58.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.337 -0.852 . . . . 2.45 109.827 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.65 -42.82 89.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.113 -0.992 . . . . 1.75 109.834 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' C' ' 344' ' ' LEU . 67.2 mt -61.67 -45.68 92.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.287 -0.883 . . . . 0.31 109.605 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.93 -43.66 86.44 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.29 -0.881 . . . . 1.22 109.67 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.28 -37.94 89.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.73 109.862 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.23 -52.06 66.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.199 -0.938 . . . . 0.28 109.881 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 21.0 mt -60.61 -40.55 92.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 0.31 109.49 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.56 -38.7 81.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.355 -0.841 . . . . 1.91 109.557 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.94 -42.36 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.149 -0.969 . . . . 0.43 109.503 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.466 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 14.4 ttmt -61.78 -46.08 91.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.57 109.29 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.69 -30.88 65.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.579 -0.701 . . . . 1.44 109.667 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.66 81.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.346 -0.846 . . . . 0.64 110.037 -179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -83.28 -10.71 58.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 1.21 109.764 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -15.14 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 1.22 109.357 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -11.28 74.82 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.62 -1.392 . . . . 1.5 109.62 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 165.28 15.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -1.18 . . . . 4.18 109.492 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -49.09 135.0 15.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.205 -0.934 . . . . 5.67 109.13 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.4 138.63 72.23 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.851 1.7 . . . . 5.65 110.122 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.049 -1.417 . . . . 7.27 109.743 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.28 0.562 . . . . 7.33 109.538 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 14.4 mttp 58.09 24.01 10.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 7.21 109.367 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.9 144.06 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 6.47 109.489 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.28 -168.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.168 1.912 . . . . 4.53 110.279 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.76 157.43 27.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 4.35 109.417 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.88 3.68 19.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 2.48 109.969 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 125.3 19.29 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.433 -1.467 . . . . 0.98 109.433 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.89 133.28 53.02 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.651 -0.911 . . . . 1.7 109.799 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 19.9 m-85 -94.93 154.87 17.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.204 -0.935 . . . . 0.61 108.892 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 87.6 m-85 -139.31 -172.73 3.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 0.58 109.945 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -153.1 160.06 42.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.402 -0.811 . . . . 0.42 109.085 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -149.79 131.3 14.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.145 -0.972 . . . . 0.36 109.663 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 41.3 tt0 -86.28 127.16 34.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.345 -0.847 . . . . 1.37 109.442 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.3 mt -124.12 112.68 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.169 -0.957 . . . . 0.47 109.716 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.55 149.4 42.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 2.1 109.318 179.755 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.46 131.86 7.28 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.639 -1.384 . . . . 0.42 109.639 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -74.01 -65.76 0.8 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.074 . . . . 2.68 109.57 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.44 -39.05 82.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 2.22 109.822 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -46.04 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.204 -0.935 . . . . 2.77 109.674 -179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.1 t80 -55.03 -55.68 28.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.825 . . . . 0.43 109.758 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.72 -33.96 24.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.333 -0.854 . . . . 1.66 109.935 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.36 -50.73 70.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.197 -0.939 . . . . 0.44 109.93 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.434 ' HB2' HD13 ' A' ' 332' ' ' ILE . 18.3 m-85 -60.99 -48.47 81.67 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.233 -0.917 . . . . 0.29 109.25 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -51.6 -38.12 53.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.439 -0.788 . . . . 2.44 109.649 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.81 -48.4 81.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.188 -0.945 . . . . 1.74 109.604 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' B' ' 344' ' ' LEU . 71.0 mt -61.86 -33.32 73.98 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.211 -0.931 . . . . 0.3 108.69 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.13 25.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.518 -0.739 . . . . 1.22 109.602 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.63 -30.46 71.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 1.72 109.896 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.14 -55.33 33.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.27 109.95 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.78 -33.52 73.1 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.29 109.6 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.38 -40.17 95.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.948 . . . . 1.91 109.771 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.47 -49.48 71.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.884 . . . . 0.41 109.666 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' B' ' 346' ' ' GLU . 0.2 OUTLIER -60.35 -39.16 86.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.924 . . . . 1.56 108.835 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.69 -33.0 67.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.495 -0.558 . . . . 1.43 109.495 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.27 87.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.66 109.075 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.751 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.1 mt-30 -83.47 -15.04 51.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -0.814 . . . . 1.18 109.331 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.3 -91.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -0.875 . . . . 1.23 109.044 179.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.14 106.97 2.93 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.101 -1.6 . . . . 1.54 109.101 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.38 148.73 26.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.247 -1.149 . . . . 4.18 109.579 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.573 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.8 mt-10 -49.11 -55.6 20.12 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.302 -0.874 . . . . 5.71 109.672 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 3.3 Cg_exo -61.03 153.68 62.41 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.881 1.72 . . . . 5.61 110.106 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.531 -1.428 . . . . 7.24 109.531 -179.941 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.485 -0.561 . . . . 7.34 109.485 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 321' ' ' LYS . 14.4 mttp 58.17 24.11 10.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 7.17 109.356 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 62.87 144.0 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 6.44 109.521 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.2 -168.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.201 1.934 . . . . 4.54 110.239 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 157.39 27.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.257 -0.902 . . . . 4.32 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.83 3.64 18.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.965 . . . . 2.47 109.974 -179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 125.21 19.33 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.517 -1.433 . . . . 0.95 109.517 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.83 133.26 53.06 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.636 -0.92 . . . . 1.61 109.828 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.479 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 19.9 m-85 -94.83 154.82 17.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.57 108.878 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.5 m-85 -139.39 -172.71 3.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.94 -1.1 . . . . 0.53 109.923 -179.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.9 p -152.95 160.12 43.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.336 -0.852 . . . . 0.38 109.186 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.1 tp -149.87 131.31 14.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.206 -0.934 . . . . 0.36 109.617 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.32 127.16 34.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 1.36 109.423 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' B' ' 341' ' ' PHE . 34.3 mt -124.17 112.58 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.49 109.703 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.506 ' HD2' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.49 149.32 42.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.1 109.289 179.821 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.53 131.96 7.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.586 -1.406 . . . . 0.44 109.586 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.0 ttt180 -74.02 -65.69 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -1.14 . . . . 2.72 109.672 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.42 -39.09 82.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.82 . . . . 2.21 109.864 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -45.91 91.14 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 2.79 109.744 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.12 -55.58 29.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.316 -0.865 . . . . 0.45 109.814 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.76 -33.94 25.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.68 109.842 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.38 -50.73 70.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.235 -0.916 . . . . 0.43 109.944 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.44 ' HB2' HD13 ' B' ' 332' ' ' ILE . 18.3 m-85 -60.96 -48.59 81.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.28 109.167 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.61 -38.15 53.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.817 . . . . 2.52 109.593 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.74 -48.44 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 1.75 109.631 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' A' ' 344' ' ' LEU . 71.2 mt -61.9 -33.33 74.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.182 -0.949 . . . . 0.31 108.729 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.546 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.8 t-20 -59.89 -56.11 25.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.494 -0.754 . . . . 1.21 109.559 179.743 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 351' ' ' LYS . 15.6 tt0 -63.56 -30.58 71.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.868 . . . . 1.69 109.87 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.97 -55.46 32.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.27 109.939 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.75 -33.52 73.06 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.379 -0.826 . . . . 0.3 109.633 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.41 -40.12 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 1.93 109.868 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.751 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.3 tt -64.38 -49.57 71.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.316 -0.865 . . . . 0.4 109.689 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -39.16 85.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.59 108.92 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.63 -33.03 67.83 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.27 0.557 . . . . 1.43 109.601 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.43 88.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.359 -0.838 . . . . 0.65 109.191 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.417 ' OE1' HD11 ' A' ' 350' ' ' LEU . 23.7 mt-30 -83.53 -14.97 51.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.19 109.31 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.27 -91.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 1.22 109.021 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.07 106.92 2.92 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.12 -1.592 . . . . 1.53 109.12 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.41 148.61 26.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.257 -1.143 . . . . 4.21 109.52 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.566 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.8 mt-10 -48.98 -55.66 19.41 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.305 -0.872 . . . . 5.68 109.752 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -60.98 153.62 62.56 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.901 1.734 . . . . 5.57 110.094 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 117.997 -1.446 . . . . 7.2 109.545 -179.937 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 321' ' ' LYS . 14.5 mttp 58.03 24.08 10.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 8.15 109.446 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 62.95 143.98 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.371 -0.83 . . . . 7.15 109.475 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.29 -168.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.093 1.862 . . . . 4.35 110.287 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.76 157.49 27.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 4.63 109.368 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.95 3.67 19.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 2.85 109.858 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 125.13 19.39 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.539 -1.424 . . . . 1.12 109.539 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.7 133.19 53.15 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.623 -0.928 . . . . 2.11 109.909 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 19.6 m-85 -94.93 154.78 17.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.195 -0.941 . . . . 0.64 108.863 179.337 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.6 m-85 -139.27 -172.74 3.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.078 -1.014 . . . . 0.49 109.978 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 40.8 p -152.99 160.09 42.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 0.47 109.095 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.1 tp -149.82 131.41 14.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.42 109.66 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.39 127.27 34.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 1.81 109.392 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' C' ' 341' ' ' PHE . 34.1 mt -124.12 112.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.133 -0.979 . . . . 0.42 109.689 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -73.62 149.38 42.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.29 -0.881 . . . . 2.35 109.279 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.52 131.95 7.3 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.593 -1.403 . . . . 0.41 109.593 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.8 ttt180 -73.95 -65.85 0.78 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -1.155 . . . . 2.59 109.607 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.35 -39.02 81.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 2.54 109.865 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.91 91.33 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.241 -0.912 . . . . 3.39 109.705 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.8 t80 -55.05 -55.7 28.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.387 -0.82 . . . . 0.47 109.71 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.71 -33.85 24.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.335 -0.853 . . . . 1.66 109.99 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -50.78 70.19 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.121 -0.987 . . . . 0.61 109.936 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' C' ' 332' ' ' ILE . 18.5 m-85 -60.88 -48.49 81.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 0.33 109.309 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.62 -38.19 53.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.444 -0.785 . . . . 3.28 109.589 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.75 -48.34 82.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.216 -0.928 . . . . 1.78 109.709 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' D' ' 344' ' ' LEU . 71.3 mt -61.93 -33.31 74.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.38 108.788 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.526 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.8 t-20 -59.81 -56.12 25.75 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.44 -0.788 . . . . 1.2 109.66 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.455 ' HB3' ' HE2' ' D' ' 351' ' ' LYS . 15.4 tt0 -63.58 -30.55 71.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 2.12 109.917 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.0 -55.35 33.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.287 -0.883 . . . . 0.26 109.971 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.75 -33.6 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.351 -0.843 . . . . 0.4 109.533 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -64.5 -40.06 94.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 2.09 109.713 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.685 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.3 tt -64.42 -49.61 70.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.338 -0.851 . . . . 0.75 109.681 -179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.31 86.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 2.19 108.865 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.63 -33.07 67.87 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-O 121.355 0.598 . . . . 1.34 109.538 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.36 88.58 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.72 109.128 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.499 ' OE1' HD11 ' D' ' 350' ' ' LEU . 23.7 mt-30 -83.48 -15.03 51.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 1.8 109.323 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -91.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.16 -0.963 . . . . 1.39 109.086 179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.13 107.0 2.94 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.089 -1.605 . . . . 1.66 109.089 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.49 148.76 26.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.3 -1.118 . . . . 4.45 109.541 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.569 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.8 mt-10 -49.09 -55.62 19.98 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 6.19 109.694 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 3.2 Cg_exo -60.97 153.58 62.74 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.03 1.82 . . . . 5.58 110.134 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.986 -1.452 . . . . 6.9 109.526 -179.946 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.46 -0.57 . . . . 7.36 109.46 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 321' ' ' LYS . 14.4 mttp 58.16 24.04 10.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.184 -0.948 . . . . 7.15 109.357 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 62.85 144.1 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 6.5 109.518 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 -168.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.192 1.928 . . . . 4.5 110.225 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.72 157.47 27.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 4.32 109.346 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -79.93 3.7 19.09 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.259 -0.901 . . . . 2.46 109.983 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.84 125.27 19.22 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.482 -1.447 . . . . 0.97 109.482 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.9 133.31 53.05 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.707 -0.878 . . . . 1.67 109.788 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.506 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 19.5 m-85 -94.92 154.87 17.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.21 -0.931 . . . . 0.61 108.958 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.6 m-85 -139.32 -172.88 3.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.56 109.925 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.8 p -152.92 160.11 43.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.43 109.208 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.1 tp -149.85 131.32 14.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.101 -1.0 . . . . 0.35 109.661 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.34 127.16 34.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.398 -0.814 . . . . 1.37 109.361 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' D' ' 341' ' ' PHE . 33.6 mt -124.05 112.58 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.182 -0.949 . . . . 0.48 109.817 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.27 42.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -0.886 . . . . 2.08 109.378 179.772 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.54 131.9 7.28 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.4 109.588 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttt180 -73.98 -65.7 0.81 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -1.069 . . . . 2.64 109.656 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.45 -39.05 82.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.873 . . . . 2.22 109.849 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.86 91.41 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.239 -0.913 . . . . 2.74 109.724 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.0 t80 -55.15 -55.64 28.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.43 109.74 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.74 -33.87 24.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 1.69 109.963 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.45 -50.62 70.75 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.217 -0.927 . . . . 0.43 109.926 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB2' HD13 ' D' ' 332' ' ' ILE . 18.2 m-85 -61.01 -48.62 80.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.27 109.146 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.49 -38.2 52.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 2.45 109.591 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.83 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 1.75 109.658 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' C' ' 344' ' ' LEU . 70.8 mt -61.9 -33.26 73.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.244 -0.91 . . . . 0.31 108.765 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.548 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.21 24.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.459 -0.775 . . . . 1.22 109.633 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -63.52 -30.59 71.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.352 -0.842 . . . . 1.73 109.895 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.98 -55.47 32.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.28 109.888 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.82 -33.37 72.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.31 109.626 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.49 -40.13 95.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.895 . . . . 1.91 109.753 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.614 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -64.47 -49.55 70.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.336 -0.852 . . . . 0.43 109.65 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' C' ' 346' ' ' GLU . 0.2 OUTLIER -60.26 -39.27 86.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.224 -0.922 . . . . 1.57 108.891 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.53 -33.03 67.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.79 -0.569 . . . . 1.44 109.584 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.35 88.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.322 -0.862 . . . . 0.64 109.139 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.685 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.2 mt-30 -83.49 -14.94 51.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.391 -0.818 . . . . 1.21 109.307 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.23 -91.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 1.22 109.091 179.576 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.03 106.9 2.92 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.142 -1.583 . . . . 1.5 109.142 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.48 148.71 26.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -1.159 . . . . 4.18 109.489 -179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.566 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.8 mt-10 -49.11 -55.65 19.88 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.933 . . . . 5.67 109.702 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 3.1 Cg_exo -60.96 153.65 62.27 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.849 1.699 . . . . 5.65 110.112 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.89 -1.506 . . . . 7.27 109.515 -179.926 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.31 0.576 . . . . 7.33 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.98 -90.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 7.21 109.589 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.84 86.44 0.15 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.173 -0.954 . . . . 6.47 109.304 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.79 -56.63 0.72 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.202 1.935 . . . . 4.53 110.596 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.23 100.14 8.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 4.35 109.828 -179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.85 -152.65 0.11 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 2.48 109.221 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.49 169.2 41.3 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.355 -1.498 . . . . 0.98 109.355 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.7 131.71 51.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -1.233 . . . . 1.7 109.442 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 11.0 m-85 -93.7 155.25 17.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.117 -0.989 . . . . 0.61 109.582 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.3 -169.95 2.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.58 109.542 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 30.3 p -153.2 157.22 39.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.42 109.432 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -148.7 133.19 17.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.36 109.602 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 23.2 tt0 -85.83 127.86 34.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 1.37 109.121 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.85 114.32 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.47 109.797 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.479 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -74.13 149.51 40.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 2.1 109.358 179.64 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.79 133.61 7.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.751 -1.34 . . . . 0.42 109.751 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.9 ttt180 -78.58 -58.21 3.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 2.68 109.582 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.72 86.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 2.22 109.629 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 2.3 ttm180 -60.63 -41.4 94.8 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.285 -0.884 . . . . 2.77 109.558 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 59.0 t80 -55.57 -56.07 24.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.324 -0.86 . . . . 0.43 109.943 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.28 -37.13 45.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 1.66 110.173 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.42 -47.77 80.56 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.177 -0.952 . . . . 0.44 110.307 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.44 64.89 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.945 . . . . 0.29 109.415 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.78 -39.63 53.02 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.436 -0.79 . . . . 2.44 109.736 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.72 -43.26 94.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 1.74 109.999 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' B' ' 344' ' ' LEU . 75.0 mt -62.19 -43.46 98.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.3 109.531 -179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.13 -48.09 81.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 1.22 109.876 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.86 -34.34 75.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 1.72 109.844 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.46 -49.07 79.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.27 110.007 -179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 55.2 mt -61.47 -41.92 97.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.29 109.731 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.79 -38.52 78.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 1.91 109.495 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.79 -42.79 97.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.41 109.795 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.64 -40.06 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.387 -0.82 . . . . 1.56 109.198 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.15 -35.41 67.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.469 -0.769 . . . . 1.43 109.588 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -49.76 63.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.66 109.57 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.439 ' NE2' HD11 ' B' ' 350' ' ' LEU . 2.5 mt-30 -80.93 0.8 33.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 1.18 109.753 -179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.2 -82.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 1.23 109.172 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.44 92.48 1.08 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.342 -1.503 . . . . 1.54 109.342 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 123.21 32.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.282 -1.128 . . . . 4.18 109.555 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.08 158.93 1.11 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 5.71 109.471 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.74 135.16 54.56 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.225 1.95 . . . . 5.61 110.235 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.94 -1.478 . . . . 7.24 109.564 179.916 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.311 0.577 . . . . 7.34 109.546 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 58.91 -90.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.296 -0.877 . . . . 7.17 109.662 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.81 86.39 0.15 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.207 -0.933 . . . . 6.44 109.37 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.7 -56.75 0.7 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.166 1.911 . . . . 4.54 110.528 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.16 100.14 8.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 4.32 109.876 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.89 -152.95 0.12 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.392 -0.818 . . . . 2.47 109.157 179.612 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.27 169.32 40.24 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.37 -1.492 . . . . 0.95 109.37 179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 131.73 51.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -1.153 . . . . 1.61 109.37 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 10.9 m-85 -93.82 155.18 17.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.57 109.498 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -139.16 -169.9 2.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.53 109.533 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 30.1 p -153.18 157.03 39.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.929 . . . . 0.38 109.416 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.53 133.22 17.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.36 109.662 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.85 127.8 34.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.862 . . . . 1.36 109.135 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.2 mt -123.86 114.36 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.49 109.768 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.6 OUTLIER -74.14 149.3 41.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 2.1 109.418 179.664 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.9 133.33 7.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.776 -1.329 . . . . 0.44 109.776 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.9 ttt180 -78.15 -58.39 3.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.334 -1.097 . . . . 2.72 109.644 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.06 -42.66 85.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.965 . . . . 2.21 109.663 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.63 -41.43 94.86 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.334 -0.854 . . . . 2.79 109.565 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.6 t80 -55.58 -56.08 24.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.41 -0.806 . . . . 0.45 109.91 -179.824 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.38 -37.08 46.26 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.377 -0.827 . . . . 1.68 110.141 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.78 80.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.255 -0.903 . . . . 0.43 110.291 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.04 -52.55 64.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 0.28 109.342 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.75 -39.71 52.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.864 . . . . 2.52 109.625 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.63 -43.33 93.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.35 -0.844 . . . . 1.75 109.97 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' A' ' 344' ' ' LEU . 75.3 mt -62.09 -43.49 98.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.31 109.567 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.12 -48.16 81.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.921 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.87 -34.24 75.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 1.69 109.84 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.46 -49.06 79.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.27 109.977 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 55.6 mt -61.51 -41.88 97.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.3 109.665 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.92 -38.43 78.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.93 109.422 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.439 HD11 ' NE2' ' A' ' 354' ' ' GLN . 13.4 tp -63.82 -42.85 97.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.4 109.725 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.13 93.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.373 -0.829 . . . . 1.59 109.14 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.06 -35.42 66.93 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.585 -0.697 . . . . 1.43 109.723 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.63 63.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.65 109.598 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.92 0.74 34.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.19 109.821 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 -82.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.167 -0.958 . . . . 1.22 109.32 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.62 92.54 1.1 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.331 -1.508 . . . . 1.53 109.331 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 123.08 32.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 4.21 109.571 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.92 158.85 1.07 Allowed Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.947 . . . . 5.68 109.58 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.86 135.14 53.97 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.211 1.94 . . . . 5.57 110.195 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.918 -1.49 . . . . 7.2 109.552 179.951 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.295 0.569 . . . . 8.96 109.518 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.87 -90.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 8.15 109.644 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.75 86.35 0.16 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.938 . . . . 7.15 109.41 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.65 -56.75 0.7 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.276 1.984 . . . . 4.35 110.578 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.14 100.1 8.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.214 -0.929 . . . . 4.63 109.882 -179.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.91 -152.76 0.12 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.497 -0.752 . . . . 2.85 109.203 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.34 169.24 40.64 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.367 -1.493 . . . . 1.12 109.367 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.77 131.62 51.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.171 -1.194 . . . . 2.11 109.478 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 11.2 m-85 -93.69 155.33 17.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.238 -0.914 . . . . 0.64 109.481 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.7 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.49 109.479 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 30.2 p -153.19 157.2 39.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.47 109.382 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.62 133.21 17.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.42 109.661 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 23.3 tt0 -85.82 127.76 34.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.198 -0.939 . . . . 1.81 109.236 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.82 114.24 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.42 109.804 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.6 OUTLIER -74.06 149.45 41.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.388 -0.82 . . . . 2.35 109.379 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.85 133.7 7.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.659 -1.376 . . . . 0.41 109.659 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.9 ttt180 -78.61 -58.26 3.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 2.59 109.593 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.67 86.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 2.54 109.661 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.52 -41.54 94.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.26 -0.9 . . . . 3.39 109.597 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 329' ' ' THR . 59.1 t80 -55.53 -56.02 25.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.445 -0.784 . . . . 0.47 109.952 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.41 -37.07 46.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.298 -0.876 . . . . 1.66 110.082 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -63.51 -47.7 80.62 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.112 -0.993 . . . . 0.61 110.274 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.02 -52.46 64.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.33 109.453 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.82 -39.6 53.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.317 -0.865 . . . . 3.28 109.702 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.76 -43.39 94.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.78 109.897 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' D' ' 344' ' ' LEU . 74.8 mt -62.11 -43.48 98.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.38 109.512 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.07 -48.18 80.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 1.2 109.91 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.88 -34.28 75.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 2.12 109.829 -179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.47 -48.95 79.66 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.26 110.044 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 55.7 mt -61.6 -41.85 98.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -0.857 . . . . 0.4 109.692 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.83 -38.42 78.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.27 -0.894 . . . . 2.09 109.533 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 13.4 tp -63.9 -42.85 97.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.21 -0.931 . . . . 0.75 109.699 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.03 93.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.858 . . . . 2.19 109.212 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.375 -0.828 . . . . 1.34 109.754 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.63 63.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 0.72 109.632 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.591 ' NE2' HD11 ' D' ' 350' ' ' LEU . 2.5 mt-30 -81.01 0.81 34.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.238 -0.914 . . . . 1.8 109.739 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.11 -82.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 1.39 109.247 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.56 92.53 1.1 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.327 -1.509 . . . . 1.66 109.327 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 123.09 32.16 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -1.119 . . . . 4.45 109.555 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.04 158.88 1.1 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.138 -0.976 . . . . 6.19 109.495 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.96 135.07 53.21 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.213 1.942 . . . . 5.58 110.215 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.994 -1.448 . . . . 6.9 109.54 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.275 0.559 . . . . 7.36 109.58 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.77 -90.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 7.15 109.629 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.81 86.44 0.15 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.193 -0.942 . . . . 6.5 109.316 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.64 -56.77 0.7 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.245 1.964 . . . . 4.5 110.622 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.16 100.03 8.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 4.32 109.89 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.84 -152.7 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.306 -0.871 . . . . 2.46 109.215 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.39 169.52 40.32 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.286 -1.526 . . . . 0.97 109.286 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.06 131.79 52.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -1.192 . . . . 1.67 109.394 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 10.9 m-85 -93.85 155.24 17.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.462 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.56 109.548 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 30.2 p -153.14 156.94 39.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 0.43 109.501 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.43 133.22 17.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.371 -0.831 . . . . 0.35 109.681 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.79 127.75 34.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 1.37 109.184 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.8 mt -123.69 114.38 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 0.48 109.844 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.6 OUTLIER -74.27 149.42 40.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.333 -0.855 . . . . 2.08 109.304 179.733 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.8 133.65 7.54 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.753 -1.339 . . . . 0.4 109.753 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.9 ttt180 -78.5 -58.27 3.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -1.159 . . . . 2.64 109.624 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.18 -42.58 86.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.862 . . . . 2.22 109.625 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.7 -41.52 95.36 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.291 -0.88 . . . . 2.74 109.522 -179.788 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.8 t80 -55.51 -56.05 24.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.409 -0.807 . . . . 0.43 109.977 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.31 -37.17 46.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.304 -0.873 . . . . 1.69 110.078 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.68 80.86 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.141 -0.975 . . . . 0.43 110.279 -179.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.47 64.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.944 . . . . 0.27 109.417 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -50.7 -39.72 52.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 2.45 109.707 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.74 -43.25 94.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 1.75 109.991 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' C' ' 344' ' ' LEU . 75.0 mt -62.14 -43.47 98.76 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.31 109.541 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -58.18 -48.07 81.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 1.22 109.948 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.81 -34.38 75.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.941 . . . . 1.73 109.821 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.47 -49.02 79.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 0.28 109.935 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.58 -41.9 98.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.31 109.611 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.75 -38.55 78.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 1.91 109.501 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.591 HD11 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -63.8 -42.76 97.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.315 -0.866 . . . . 0.43 109.722 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 11.9 ttmm -61.75 -39.96 93.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -0.829 . . . . 1.57 109.105 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.16 -35.55 67.3 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.52 -0.737 . . . . 1.44 109.587 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.63 63.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 0.64 109.687 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.02 0.91 33.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 1.21 109.73 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.31 -82.12 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.072 -1.018 . . . . 1.22 109.2 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.53 92.53 1.09 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.296 -1.522 . . . . 1.5 109.296 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 123.12 32.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -1.154 . . . . 4.18 109.55 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.04 158.93 1.09 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.936 . . . . 5.67 109.535 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.87 135.06 53.48 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.271 1.981 . . . . 5.65 110.18 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 CA-C-O 117.992 -1.449 . . . . 7.27 109.565 179.905 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.268 0.556 . . . . 7.33 109.516 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.68 80.19 0.21 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 7.21 109.586 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.23 72.16 0.59 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 6.47 109.773 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 119.74 6.98 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.189 1.926 . . . . 4.53 110.06 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -81.27 112.39 18.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 4.35 109.611 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.77 -147.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 2.48 109.391 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.3 173.66 32.19 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.593 -1.403 . . . . 0.98 109.593 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.9 134.18 56.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.286 -1.126 . . . . 1.7 109.561 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -95.37 161.22 14.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.287 -0.883 . . . . 0.61 109.457 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.04 -168.72 2.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 0.58 109.709 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.3 p -152.16 160.55 43.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.42 109.411 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.6 tp -148.72 129.87 14.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.36 109.438 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 41.9 tt0 -86.41 129.64 34.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.37 109.348 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 341' ' ' PHE . 49.3 mt -123.76 116.68 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.47 109.43 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 148.87 43.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.231 -0.918 . . . . 2.1 109.595 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 133.53 5.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.601 -1.399 . . . . 0.42 109.601 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 49.3 ttt180 -79.27 -52.34 8.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.309 -1.112 . . . . 2.68 109.496 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 2.22 109.672 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.762 HH12 HD22 ' C' ' 348' ' ' LEU . 8.7 tpp180 -62.46 -44.04 97.36 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.216 -0.928 . . . . 2.77 109.341 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.2 -48.86 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.362 -0.836 . . . . 0.43 109.51 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.25 42.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -0.852 . . . . 1.66 109.653 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.481 ' SD ' ' CG ' ' D' ' 340' ' ' MET . 14.3 ttp -61.86 -47.41 85.14 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.178 -0.951 . . . . 0.44 109.826 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.472 ' CD2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -61.41 -50.96 70.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 0.29 109.308 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.28 -36.53 42.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.414 -0.804 . . . . 2.44 109.716 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.2 -51.04 71.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.16 -0.962 . . . . 1.74 109.776 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' B' ' 344' ' ' LEU . 21.3 mt -61.06 -32.97 72.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.3 108.947 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.491 ' ND2' ' OE2' ' A' ' 349' ' ' GLU . 40.0 t30 -60.4 -53.09 61.75 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.393 -0.817 . . . . 1.22 109.76 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.15 -36.85 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.377 -0.827 . . . . 1.72 110.157 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.79 -53.36 58.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.27 110.218 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.812 HD22 HH12 ' C' ' 337' ' ' ARG . 66.4 mt -60.77 -40.74 93.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.29 109.82 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.491 ' OE2' ' ND2' ' A' ' 345' ' ' ASN . 69.0 mt-10 -61.06 -35.42 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.288 -0.883 . . . . 1.91 109.83 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' B' ' 354' ' ' GLN . 13.1 tp -64.02 -45.95 86.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 0.41 109.677 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.53 -48.13 80.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 1.56 109.272 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -31.33 65.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.474 -0.766 . . . . 1.43 109.536 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.75 80.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 0.66 109.627 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.55 ' OE1' HD21 ' B' ' 350' ' ' LEU . 35.1 mt-30 -84.81 -17.14 39.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.97 . . . . 1.18 109.614 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.88 -12.24 60.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.177 -0.952 . . . . 1.23 109.417 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 -55.4 2.51 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.886 -1.286 . . . . 1.54 109.886 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.32 102.08 13.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 4.18 109.924 -179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.513 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 0.9 OUTLIER -51.52 172.6 0.15 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.254 -0.904 . . . . 5.71 109.244 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 2.8 Cg_endo -61.24 138.63 78.61 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.154 1.903 . . . . 5.61 110.173 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 118.043 -1.421 . . . . 7.24 109.589 179.961 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.511 -0.551 . . . . 7.34 109.511 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 59.66 80.39 0.2 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 7.17 109.503 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.01 72.28 0.59 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.915 . . . . 6.44 109.765 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.29 119.86 7.15 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.135 1.89 . . . . 4.54 110.021 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.2 112.38 18.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.163 -0.96 . . . . 4.32 109.656 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 4.3 m-20 -80.87 -147.94 0.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.3 -0.875 . . . . 2.47 109.362 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.19 173.52 32.04 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.95 109.526 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.72 134.02 56.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.303 -1.116 . . . . 1.61 109.664 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.25 161.3 14.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.57 109.47 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.3 m-85 -140.11 -168.76 2.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.53 109.606 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.4 p -152.22 160.35 43.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.332 -0.855 . . . . 0.38 109.472 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.6 tp -148.54 129.86 14.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.36 109.518 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.39 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.829 . . . . 1.36 109.348 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' B' ' 341' ' ' PHE . 49.1 mt -123.82 116.7 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.49 109.44 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 148.93 42.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.873 . . . . 2.1 109.62 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.33 133.5 5.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.664 -1.374 . . . . 0.44 109.664 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 49.1 ttt180 -79.19 -52.5 8.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -1.141 . . . . 2.72 109.424 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.08 -44.06 91.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.319 -0.863 . . . . 2.21 109.739 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 8.7 tpp180 -62.41 -44.05 97.37 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.273 -0.892 . . . . 2.79 109.381 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.28 -48.79 73.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.373 -0.829 . . . . 0.45 109.527 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -51.39 -36.21 42.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 1.68 109.68 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -61.95 -47.34 85.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.43 109.86 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -61.32 -51.03 70.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.216 -0.927 . . . . 0.28 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.25 -36.63 42.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 2.52 109.664 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -60.13 -51.16 70.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.095 -1.003 . . . . 1.75 109.711 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 344' ' ' LEU . 21.2 mt -60.99 -32.84 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 0.31 108.99 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.495 ' ND2' ' OE2' ' B' ' 349' ' ' GLU . 40.2 t30 -60.57 -53.03 62.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.478 -0.764 . . . . 1.21 109.772 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.0 -36.99 85.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 1.69 110.178 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.73 -53.45 57.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.27 110.175 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.774 HD22 HH12 ' D' ' 337' ' ' ARG . 66.1 mt -60.75 -40.73 93.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.3 109.778 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.495 ' OE2' ' ND2' ' B' ' 345' ' ' ASN . 69.3 mt-10 -61.06 -35.51 77.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.206 -0.934 . . . . 1.93 109.772 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.55 HD21 ' OE1' ' A' ' 354' ' ' GLN . 13.1 tp -63.91 -46.02 86.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.264 -0.898 . . . . 0.4 109.68 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.52 -48.21 80.56 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 1.59 109.231 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -31.19 65.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.605 -0.684 . . . . 1.43 109.541 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.71 80.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.65 109.686 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.443 ' OE1' HD21 ' A' ' 350' ' ' LEU . 35.0 mt-30 -84.84 -17.16 38.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.249 -0.907 . . . . 1.19 109.643 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.12 60.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.181 -0.949 . . . . 1.22 109.403 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -55.47 2.49 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.905 -1.278 . . . . 1.53 109.905 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -86.23 102.01 13.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -1.124 . . . . 4.21 110.016 -179.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.505 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 0.9 OUTLIER -51.47 172.62 0.14 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.317 -0.865 . . . . 5.68 109.217 179.594 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 3.0 Cg_endo -61.29 138.67 78.55 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.119 1.879 . . . . 5.57 110.031 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 118.008 -1.44 . . . . 7.2 109.572 179.923 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.369 0.604 . . . . 8.96 109.428 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.59 80.29 0.2 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.093 -1.004 . . . . 8.15 109.566 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.21 72.18 0.59 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 7.15 109.738 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.34 119.87 7.17 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.118 1.879 . . . . 4.35 110.082 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.3 112.45 18.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -0.902 . . . . 4.63 109.591 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 4.3 m-20 -80.83 -147.84 0.06 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.159 -0.963 . . . . 2.85 109.405 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.31 173.65 32.25 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.52 -1.432 . . . . 1.12 109.52 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.92 134.12 56.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -1.163 . . . . 2.11 109.617 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -95.33 161.31 14.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.322 -0.861 . . . . 0.64 109.339 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.9 m-85 -140.13 -168.74 2.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 0.49 109.618 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 9.2 p -152.23 160.6 43.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.47 109.363 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.5 tp -148.71 129.83 14.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.42 129.57 34.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.81 109.383 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' C' ' 341' ' ' PHE . 49.7 mt -123.72 116.73 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.226 -0.921 . . . . 0.42 109.337 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 148.89 43.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 2.35 109.557 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.44 133.49 5.87 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.601 -1.4 . . . . 0.41 109.601 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 49.2 ttt180 -79.22 -52.4 8.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -1.146 . . . . 2.59 109.494 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.06 -44.13 91.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.405 -0.81 . . . . 2.54 109.64 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.812 HH12 HD22 ' A' ' 348' ' ' LEU . 8.8 tpp180 -62.36 -44.11 97.23 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.855 . . . . 3.39 109.317 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.7 t80 -55.16 -48.89 73.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -0.829 . . . . 0.47 109.516 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.53 -36.01 43.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.413 -0.804 . . . . 1.66 109.697 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.07 -47.28 85.38 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.206 -0.934 . . . . 0.61 109.79 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.43 -51.01 70.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.168 -0.957 . . . . 0.33 109.249 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.19 -36.62 42.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.306 -0.871 . . . . 3.28 109.766 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.19 -51.07 71.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 1.78 109.73 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' D' ' 344' ' ' LEU . 21.5 mt -61.11 -32.83 72.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.38 108.898 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -60.62 -52.92 63.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.435 -0.791 . . . . 1.2 109.722 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.21 -36.86 85.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.826 . . . . 2.12 110.176 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.82 -53.42 58.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.26 110.139 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.762 HD22 HH12 ' A' ' 337' ' ' ARG . 66.4 mt -60.69 -40.8 93.53 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.208 -0.932 . . . . 0.4 109.748 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.04 -35.44 76.89 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.251 -0.906 . . . . 2.09 109.905 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.52 HD21 ' OE1' ' D' ' 354' ' ' GLN . 13.1 tp -63.97 -45.97 86.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.173 -0.954 . . . . 0.75 109.735 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 18.1 ttmm -62.46 -48.28 80.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 2.19 109.156 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -31.21 65.08 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.515 -0.741 . . . . 1.34 109.478 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.67 80.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.72 109.636 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' D' ' 350' ' ' LEU . 35.0 mt-30 -84.89 -17.14 38.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.16 -0.962 . . . . 1.8 109.643 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.86 -12.13 60.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.142 -0.974 . . . . 1.39 109.426 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.32 -55.26 2.51 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.835 -1.306 . . . . 1.66 109.835 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.37 102.2 13.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.324 -1.104 . . . . 4.45 109.971 -179.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.512 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 0.9 OUTLIER -51.57 172.62 0.15 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 6.19 109.247 179.597 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.512 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 2.8 Cg_endo -61.24 138.64 78.63 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.185 1.923 . . . . 5.58 110.169 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 118.005 -1.442 . . . . 6.9 109.571 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.446 -0.575 . . . . 7.36 109.446 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.52 80.42 0.2 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 7.15 109.6 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.09 72.22 0.59 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 6.5 109.723 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.24 119.75 7.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.245 1.963 . . . . 4.5 110.062 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.8 mt -81.24 112.4 18.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 4.32 109.592 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 4.2 m-20 -80.84 -147.86 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.206 -0.934 . . . . 2.46 109.463 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.65 32.13 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.537 -1.425 . . . . 0.97 109.537 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.82 134.12 56.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -1.112 . . . . 1.67 109.587 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.3 161.27 14.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.89 . . . . 0.61 109.381 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.7 m-85 -140.06 -168.66 2.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.221 -0.924 . . . . 0.56 109.662 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 9.6 p -152.33 160.45 43.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.43 109.468 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.7 tp -148.55 129.88 14.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.35 109.41 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.34 129.66 34.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.905 . . . . 1.37 109.282 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' D' ' 341' ' ' PHE . 48.5 mt -123.78 116.62 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 0.48 109.475 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 148.91 43.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.08 109.567 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.34 133.55 5.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.731 -1.348 . . . . 0.4 109.731 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 49.1 ttt180 -79.26 -52.44 8.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -1.108 . . . . 2.64 109.417 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.03 -44.14 91.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 2.22 109.708 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.774 HH12 HD22 ' B' ' 348' ' ' LEU . 8.7 tpp180 -62.36 -44.16 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 2.74 109.324 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.3 t80 -55.23 -48.73 73.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.43 109.597 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.19 42.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 1.69 109.701 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.481 ' CG ' ' SD ' ' A' ' 340' ' ' MET . 14.3 ttp -62.06 -47.29 85.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.223 -0.923 . . . . 0.43 109.867 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.34 -50.96 70.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.847 . . . . 0.27 109.377 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.24 -36.66 42.95 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.367 -0.833 . . . . 2.45 109.664 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.23 -50.99 71.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 1.75 109.715 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' C' ' 344' ' ' LEU . 21.3 mt -61.15 -32.79 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.221 -0.924 . . . . 0.31 108.968 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.499 ' ND2' ' OE2' ' D' ' 349' ' ' GLU . 40.5 t30 -60.49 -53.12 61.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.41 -0.806 . . . . 1.22 109.765 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 38.1 mt-10 -63.04 -36.96 85.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 1.73 110.109 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.8 -53.43 58.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.008 . . . . 0.28 110.112 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 66.8 mt -60.78 -40.73 93.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 0.31 109.692 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.499 ' OE2' ' ND2' ' D' ' 345' ' ' ASN . 69.2 mt-10 -61.14 -35.39 76.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 1.91 109.821 -179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.474 HD21 ' OE1' ' C' ' 354' ' ' GLN . 13.1 tp -63.97 -45.95 86.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.184 -0.947 . . . . 0.43 109.725 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.62 -48.19 80.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 1.57 109.14 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -31.27 65.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.546 -0.721 . . . . 1.44 109.501 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -35.67 80.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.32 -0.863 . . . . 0.64 109.674 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.52 ' OE1' HD21 ' C' ' 350' ' ' LEU . 35.0 mt-30 -84.86 -17.15 38.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.184 -0.947 . . . . 1.21 109.586 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.01 -12.0 60.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.129 -0.982 . . . . 1.22 109.385 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.31 -55.28 2.51 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.848 -1.301 . . . . 1.5 109.848 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.39 102.18 13.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -1.137 . . . . 4.18 109.927 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.512 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 0.9 OUTLIER -51.54 172.62 0.15 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 5.67 109.236 179.552 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.512 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -61.31 138.54 77.6 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.116 1.878 . . . . 5.65 110.199 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 118.025 -1.431 . . . . 7.27 109.564 -179.995 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.304 0.574 . . . . 7.33 109.528 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 16.3 mttt 63.86 23.71 13.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 7.21 109.721 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.477 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 1.3 mttp 62.28 63.32 1.99 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 6.47 109.949 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -64.57 93.63 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.015 1.81 . . . . 4.53 109.88 179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.89 100.66 8.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 4.35 109.915 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.8 -164.44 0.86 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.318 -0.864 . . . . 2.48 109.238 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.37 174.2 35.12 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.259 -1.536 . . . . 0.98 109.259 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.41 134.59 56.76 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.105 -1.232 . . . . 1.7 109.289 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -92.59 153.43 19.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.574 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.7 m-85 -137.76 -163.39 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.58 109.262 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 328' ' ' PHE . 20.0 p -154.98 156.61 36.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.42 109.672 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.9 tp -147.36 129.76 15.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.304 -0.872 . . . . 0.36 109.299 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -86.43 134.78 33.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.37 109.753 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.64 115.47 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.47 109.332 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 147.34 43.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 2.1 109.76 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 91.88 136.88 7.41 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.737 -1.345 . . . . 0.42 109.737 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.7 ttm180 -73.59 -53.14 11.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -1.104 . . . . 2.68 109.389 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.93 -42.13 84.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 2.22 109.172 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.36 -46.97 82.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.409 -0.807 . . . . 2.77 109.755 -179.841 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.601 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.7 t80 -55.41 -55.79 27.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.46 -0.775 . . . . 0.43 109.747 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -50.85 -36.51 38.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 1.66 110.002 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.4 -51.79 64.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.181 -0.949 . . . . 0.44 110.393 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.4 m-85 -60.76 -53.4 57.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.109 -0.994 . . . . 0.29 109.436 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.466 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.3 OUTLIER -50.16 -34.77 23.58 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.422 -0.799 . . . . 2.44 109.835 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -50.89 71.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.946 -1.096 . . . . 1.74 109.758 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' B' ' 344' ' ' LEU . 62.8 mt -61.64 -33.6 74.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.231 -0.918 . . . . 0.3 109.039 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.571 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.8 t-20 -60.49 -54.59 43.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.388 -0.82 . . . . 1.22 109.908 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -63.82 -33.32 75.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.344 -0.847 . . . . 1.72 110.089 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -54.11 49.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.27 109.838 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.21 -41.6 97.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.29 109.423 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.6 -33.01 72.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 1.91 109.383 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.517 HD11 ' OE1' ' B' ' 354' ' ' GLN . 14.0 tp -64.7 -46.11 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.41 109.45 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.476 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 6.3 ttmm -61.55 -44.28 97.33 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.34 -0.85 . . . . 1.56 108.956 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.95 -32.5 66.08 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 1.43 109.561 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -47.6 71.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.323 -0.861 . . . . 0.66 109.507 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -81.46 -1.62 46.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.371 -0.83 . . . . 1.18 109.576 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -80.31 0.05 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.239 -0.913 . . . . 1.23 109.578 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 49.83 4.25 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.631 -1.387 . . . . 1.54 109.631 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.439 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 12.9 tttt -87.09 120.08 27.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.136 -1.214 . . . . 4.18 109.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.16 106.63 0.63 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.85 . . . . 5.71 109.514 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 1.8 Cg_endo -67.88 -3.03 9.7 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 122.041 1.827 . . . . 5.61 110.788 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 CA-C-O 117.941 -1.477 . . . . 7.24 109.544 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.456 ' CB ' ' HG3' ' B' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.25 0.548 . . . . 7.34 109.529 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 16.4 mttt 63.81 23.81 13.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 7.17 109.675 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 1.3 mttp 62.12 63.44 2.04 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.247 -0.908 . . . . 6.44 110.022 179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.52 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.096 1.864 . . . . 4.54 109.916 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.3 mt -80.77 100.78 8.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 4.32 109.882 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.84 -164.28 0.84 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.397 -0.814 . . . . 2.47 109.206 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.62 174.28 35.84 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.282 -1.527 . . . . 0.95 109.282 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 134.14 56.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.109 -1.23 . . . . 1.61 109.309 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.21 153.52 19.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.57 109.635 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.0 m-85 -137.78 -163.35 1.43 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.249 -0.907 . . . . 0.53 109.231 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.442 HG23 ' O ' ' B' ' 328' ' ' PHE . 20.3 p -154.91 156.58 36.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.97 . . . . 0.38 109.73 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.8 tp -147.33 129.74 15.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.882 . . . . 0.36 109.312 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -86.27 134.84 33.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 1.36 109.802 -179.715 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.696 HD13 ' HB2' ' B' ' 341' ' ' PHE . 30.0 mt -123.71 115.57 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.49 109.346 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 147.34 43.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.774 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 91.95 136.79 7.4 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.769 -1.333 . . . . 0.44 109.769 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttm180 -73.63 -53.01 11.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 2.72 109.407 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -42.0 84.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 2.21 109.108 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.46 -46.94 83.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.519 -0.738 . . . . 2.79 109.832 -179.785 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.597 ' HD1' HD12 ' B' ' 332' ' ' ILE . 40.5 t80 -55.37 -55.76 27.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.356 -0.84 . . . . 0.45 109.828 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.73 -36.54 36.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 1.68 110.095 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.52 -51.71 64.33 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.43 110.386 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.696 ' HB2' HD13 ' B' ' 332' ' ' ILE . 26.3 m-85 -60.82 -53.32 58.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.074 -1.016 . . . . 0.28 109.408 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.457 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.3 OUTLIER -50.22 -34.8 24.14 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.493 -0.754 . . . . 2.52 109.841 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.95 70.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.089 -1.007 . . . . 1.75 109.73 -179.647 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 344' ' ' LEU . 62.5 mt -61.47 -33.75 74.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.903 . . . . 0.31 109.024 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.9 t-20 -60.4 -54.56 44.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.443 -0.786 . . . . 1.21 110.001 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.476 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 34.1 mm-40 -63.89 -33.42 75.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 1.69 110.081 -179.423 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.0 -53.99 50.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.27 109.852 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.403 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 16.2 mt -61.2 -41.74 97.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.329 -0.857 . . . . 0.3 109.388 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.41 -33.05 71.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.201 -0.937 . . . . 1.93 109.452 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.513 HD23 HD23 ' A' ' 350' ' ' LEU . 14.0 tp -64.8 -46.08 83.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.4 109.391 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.4 -44.39 97.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.376 -0.827 . . . . 1.59 108.97 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.52 65.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.68 -0.638 . . . . 1.43 109.578 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.63 71.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.406 -0.809 . . . . 0.65 109.499 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.517 ' OE1' HD11 ' A' ' 350' ' ' LEU . 49.6 mt-30 -81.45 -1.56 46.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 1.19 109.608 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -80.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.22 109.55 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 49.91 4.27 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.711 -1.356 . . . . 1.53 109.711 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 12.9 tttt -87.25 120.1 28.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.209 -1.171 . . . . 4.21 109.451 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.06 106.6 0.62 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.332 -0.855 . . . . 5.68 109.519 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 1.8 Cg_endo -67.92 -3.0 9.68 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 122.098 1.865 . . . . 5.57 110.752 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 118.026 -1.43 . . . . 7.2 109.54 -179.888 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.462 ' CB ' ' HG3' ' C' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.331 0.586 . . . . 8.96 109.52 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 16.3 mttt 63.93 23.73 13.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 8.15 109.613 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 1.3 mttp 62.23 63.4 2.0 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 7.15 109.889 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.58 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.133 1.888 . . . . 4.35 109.894 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -80.91 100.65 9.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 4.63 109.86 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.68 -164.47 0.86 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.424 -0.798 . . . . 2.85 109.222 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.49 174.26 35.44 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.266 -1.534 . . . . 1.12 109.266 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.37 134.5 56.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.192 -1.181 . . . . 2.11 109.313 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -92.54 153.5 19.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.64 109.549 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.0 m-85 -137.77 -163.38 1.43 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.49 109.247 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.459 HG23 ' O ' ' C' ' 328' ' ' PHE . 20.4 p -154.93 156.65 36.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.47 109.66 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.0 tp -147.38 129.87 15.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.42 109.253 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -86.44 134.77 33.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 1.81 109.746 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.63 115.6 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.314 -0.866 . . . . 0.42 109.34 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.86 147.25 43.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 2.35 109.717 -179.807 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 91.89 136.85 7.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.824 -1.31 . . . . 0.41 109.824 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 21.8 ttm180 -73.59 -53.07 11.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.196 . . . . 2.59 109.374 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.02 -41.99 84.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.54 109.182 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.482 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.45 -46.99 82.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 3.39 109.738 -179.802 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.615 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.5 t80 -55.34 -55.78 27.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.47 109.751 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.88 -36.52 38.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 1.66 109.974 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.33 -51.82 64.41 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.091 -1.006 . . . . 0.61 110.38 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.5 m-85 -60.84 -53.28 59.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.103 -0.998 . . . . 0.33 109.385 -179.569 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.451 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.31 -34.72 24.6 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.4 -0.813 . . . . 3.28 109.88 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -50.96 70.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.027 -1.046 . . . . 1.78 109.78 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' D' ' 344' ' ' LEU . 62.4 mt -61.49 -33.71 74.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.248 -0.908 . . . . 0.38 109.097 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.559 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.8 t-20 -60.41 -54.62 43.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.455 -0.778 . . . . 1.2 109.941 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.444 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 34.0 mm-40 -63.79 -33.41 75.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 2.12 110.07 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -54.06 49.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.26 109.745 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.07 -41.76 97.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.311 -0.868 . . . . 0.4 109.511 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.53 -32.95 71.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.89 . . . . 2.09 109.457 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.5 HD23 HD23 ' D' ' 350' ' ' LEU . 14.0 tp -64.78 -46.03 83.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.75 109.457 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.58 -44.2 97.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.416 -0.802 . . . . 2.19 108.947 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.97 -32.59 66.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.539 -0.726 . . . . 1.34 109.512 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -47.82 71.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.72 109.489 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.433 ' OE1' HD11 ' D' ' 350' ' ' LEU . 49.3 mt-30 -81.42 -1.52 45.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 1.8 109.622 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.5 -80.33 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 1.39 109.519 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.79 4.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.741 -1.344 . . . . 1.66 109.741 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 13.0 tttt -87.11 120.09 28.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.138 -1.213 . . . . 4.45 109.457 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.03 106.62 0.62 Allowed Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 6.19 109.597 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 1.8 Cg_endo -67.95 -3.0 9.71 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.079 1.852 . . . . 5.58 110.687 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 CA-C-O 117.964 -1.465 . . . . 6.9 109.518 -179.879 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' D' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.284 0.564 . . . . 7.36 109.58 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 16.3 mttt 63.88 23.84 13.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 7.15 109.652 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.478 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 1.3 mttp 62.15 63.44 2.02 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.215 -0.928 . . . . 6.5 109.876 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.59 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.125 1.884 . . . . 4.5 109.899 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.1 mt -80.86 100.66 8.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.118 -0.989 . . . . 4.32 109.862 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.88 -164.42 0.86 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.464 -0.772 . . . . 2.46 109.233 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.34 174.22 34.99 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.265 -1.534 . . . . 0.97 109.265 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.41 134.53 56.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.211 -1.17 . . . . 1.67 109.286 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -92.43 153.49 19.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 0.61 109.57 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.9 m-85 -137.82 -163.31 1.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.56 109.305 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.458 HG23 ' O ' ' D' ' 328' ' ' PHE . 20.2 p -154.9 156.81 36.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.43 109.615 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.0 tp -147.56 129.73 15.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.35 109.318 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -86.35 134.96 33.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -0.872 . . . . 1.37 109.73 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' D' ' 341' ' ' PHE . 30.7 mt -123.85 115.65 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.48 109.29 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.76 147.38 43.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 2.08 109.746 -179.814 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 91.79 136.93 7.39 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.752 -1.339 . . . . 0.4 109.752 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 21.6 ttm180 -73.55 -53.17 11.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -1.149 . . . . 2.64 109.374 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -41.92 84.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 2.22 109.248 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.42 -46.96 82.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.469 -0.77 . . . . 2.74 109.732 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.617 ' HD1' HD12 ' D' ' 332' ' ' ILE . 40.7 t80 -55.46 -55.69 28.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.513 -0.742 . . . . 0.43 109.825 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.77 -36.59 37.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 1.69 110.068 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.43 -51.65 64.82 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.12 -0.987 . . . . 0.43 110.369 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.698 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.5 m-85 -60.86 -53.35 58.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.27 109.412 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.15 -34.86 23.71 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.429 -0.795 . . . . 2.45 109.841 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.97 70.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.039 . . . . 1.75 109.672 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' C' ' 344' ' ' LEU . 62.9 mt -61.49 -33.7 74.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.215 -0.928 . . . . 0.31 109.038 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.558 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.8 t-20 -60.54 -54.54 44.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.466 -0.771 . . . . 1.22 109.898 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.88 -33.3 75.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.73 110.049 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.18 48.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.28 109.757 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.1 -41.59 96.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.378 -0.826 . . . . 0.31 109.473 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.7 -32.91 72.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.91 109.445 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.5 HD23 HD23 ' C' ' 350' ' ' LEU . 14.0 tp -64.8 -46.12 83.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.883 . . . . 0.43 109.376 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 6.3 ttmm -61.48 -44.33 97.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.449 -0.782 . . . . 1.57 108.943 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.583 -0.698 . . . . 1.44 109.528 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.336 -0.852 . . . . 0.64 109.43 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -81.37 -1.69 46.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.233 -0.917 . . . . 1.21 109.587 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.49 -80.35 0.05 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.22 109.492 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 49.8 4.26 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.72 -1.352 . . . . 1.5 109.72 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.445 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 12.9 tttt -87.12 120.05 27.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.158 -1.201 . . . . 4.18 109.44 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.99 106.58 0.62 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.863 . . . . 5.67 109.61 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 1.9 Cg_endo -67.9 -3.11 9.88 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 122.176 1.917 . . . . 5.65 110.694 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.987 -1.452 . . . . 7.27 109.592 -179.904 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.43 -0.582 . . . . 7.33 109.43 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.23 -150.47 0.44 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.945 . . . . 7.21 109.316 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 102.53 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 6.47 109.615 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -68.01 0.1 4.85 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 122.188 1.925 . . . . 4.53 111.033 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 323' ' ' LEU . 7.6 mt -81.13 6.3 14.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.809 -1.182 . . . . 4.35 109.76 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -80.23 -160.75 0.31 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.883 . . . . 2.48 109.461 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 160.01 52.6 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.569 -1.413 . . . . 0.98 109.569 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.74 135.78 57.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -1.143 . . . . 1.7 109.443 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.78 158.64 15.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.61 109.584 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 77.6 m-85 -138.65 -167.0 2.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.58 109.641 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 1.6 p -153.57 157.75 40.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.168 -0.957 . . . . 0.42 109.564 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.9 tp -149.26 131.62 15.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 0.36 109.485 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.8 tt0 -86.58 131.49 34.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 1.37 109.4 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.6 mt -123.92 119.29 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 0.47 109.57 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.43 148.82 42.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.314 -0.866 . . . . 2.1 109.498 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.41 136.01 6.34 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -80.76 -51.5 8.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -1.156 . . . . 2.68 109.496 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.26 -47.7 82.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 2.22 109.438 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.7 -42.58 97.47 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.29 -0.881 . . . . 2.77 109.558 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.7 t80 -54.49 -57.24 12.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.433 -0.792 . . . . 0.43 109.544 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.49 -34.6 36.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 1.66 109.631 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.59 -49.28 73.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.197 -0.939 . . . . 0.44 110.098 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -60.99 -52.56 64.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.163 -0.96 . . . . 0.29 109.258 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.48 -39.86 49.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.44 109.704 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.43 -43.84 98.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.942 . . . . 1.74 110.014 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 344' ' ' LEU . 38.0 mt -61.64 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 0.3 109.397 -179.749 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.81 -49.62 76.03 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.374 -0.829 . . . . 1.22 109.685 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.477 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.72 110.01 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.84 -53.59 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.106 -0.996 . . . . 0.27 109.986 -179.53 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.478 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 30.0 mt -60.89 -42.66 98.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 0.29 109.635 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.2 -34.26 73.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 1.91 109.614 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.51 -45.97 84.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.41 109.409 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.06 -43.99 97.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.542 -0.724 . . . . 1.56 109.188 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -37.63 73.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.514 -0.741 . . . . 1.43 109.741 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.05 67.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.66 109.522 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -83.22 -12.75 56.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.18 109.384 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.26 -6.89 46.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.218 -0.926 . . . . 1.23 109.569 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 0.4 88.59 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.65 -1.38 . . . . 1.54 109.65 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 32.5 0.68 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.226 -1.161 . . . . 4.18 109.937 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.586 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 0.3 OUTLIER -49.57 -54.5 30.3 Favored Pre-proline 0 N--CA 1.488 1.458 0 O-C-N 121.079 -1.013 . . . . 5.71 109.818 179.641 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 4.7 Cg_exo -60.41 161.99 18.8 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 121.885 1.723 . . . . 5.61 110.253 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.006 -1.441 . . . . 7.24 109.533 179.942 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.388 -0.597 . . . . 7.34 109.388 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 58.18 -150.37 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.155 -0.965 . . . . 7.17 109.425 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.99 102.55 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.23 -0.918 . . . . 6.44 109.555 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.03 0.12 4.84 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.213 1.942 . . . . 4.54 111.01 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.434 HD23 ' N ' ' B' ' 323' ' ' LEU . 7.6 mt -81.22 6.32 14.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.867 -1.146 . . . . 4.32 109.744 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.18 -160.85 0.31 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.267 -0.896 . . . . 2.47 109.562 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 160.08 52.13 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.663 -1.375 . . . . 0.95 109.663 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.82 135.74 57.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.167 -1.196 . . . . 1.61 109.451 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -93.66 158.64 15.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.57 109.633 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.1 m-85 -138.61 -167.01 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.917 . . . . 0.53 109.546 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.6 p -153.59 157.7 40.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -0.989 . . . . 0.38 109.543 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.0 tp -149.27 131.61 15.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 0.36 109.399 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.7 tt0 -86.68 131.56 34.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 1.36 109.385 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.54 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.5 mt -123.85 119.3 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.49 109.575 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.47 148.61 43.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.243 -0.911 . . . . 2.1 109.53 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.67 136.02 6.47 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.67 -1.372 . . . . 0.44 109.67 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.58 8.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -1.082 . . . . 2.72 109.538 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -47.78 82.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 2.21 109.458 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.61 -42.67 97.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.317 -0.865 . . . . 2.79 109.541 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.54 ' HD1' HD12 ' B' ' 332' ' ' ILE . 44.8 t80 -54.53 -57.2 12.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.429 -0.794 . . . . 0.45 109.517 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -51.35 -34.65 34.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.68 109.742 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.57 -49.35 73.74 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.252 -0.905 . . . . 0.43 110.092 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -60.92 -52.6 64.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.28 109.244 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.54 -39.95 50.52 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.359 -0.838 . . . . 2.52 109.539 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.33 -43.91 98.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.127 -0.983 . . . . 1.75 109.981 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' A' ' 344' ' ' LEU . 38.7 mt -61.57 -43.34 99.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.31 109.456 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.9 -49.56 76.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.367 -0.833 . . . . 1.21 109.655 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.345 -0.847 . . . . 1.69 110.029 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.8 -53.58 55.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.27 110.049 -179.568 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.96 -42.72 98.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.3 109.579 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.1 -34.22 73.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 1.93 109.651 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.0 tt -64.62 -45.91 84.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.85 . . . . 0.4 109.487 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.9 97.86 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.434 -0.791 . . . . 1.59 109.189 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -37.66 73.24 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.452 -0.78 . . . . 1.43 109.688 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.06 67.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.65 109.495 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -83.24 -12.65 56.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.19 109.468 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -6.93 46.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.199 -0.938 . . . . 1.22 109.483 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.34 88.59 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.693 -1.363 . . . . 1.53 109.693 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 32.31 0.68 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.187 -1.184 . . . . 4.21 109.963 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.3 OUTLIER -49.55 -54.47 30.51 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 5.68 109.79 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 4.7 Cg_exo -60.51 162.02 19.04 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.922 1.748 . . . . 5.57 110.284 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 118.034 -1.426 . . . . 7.2 109.556 -179.928 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.396 -0.594 . . . . 8.96 109.396 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.19 -150.42 0.44 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 8.15 109.332 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.01 102.67 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.256 -0.903 . . . . 7.15 109.573 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.12 0.14 4.87 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.091 1.861 . . . . 4.35 111.05 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.421 ' N ' HD23 ' C' ' 323' ' ' LEU . 7.6 mt -81.21 6.36 14.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.848 -1.157 . . . . 4.63 109.747 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -80.18 -160.77 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 2.85 109.525 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 160.12 52.38 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.561 -1.415 . . . . 1.12 109.561 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.9 135.73 57.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.185 -1.185 . . . . 2.11 109.519 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -93.7 158.69 15.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.64 109.506 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.3 m-85 -138.67 -167.02 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.908 . . . . 0.49 109.586 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 1.6 p -153.66 157.63 39.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.228 -0.92 . . . . 0.47 109.487 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -149.16 131.65 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.42 109.474 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.52 131.5 34.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.928 . . . . 1.81 109.365 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.533 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.7 mt -123.95 119.34 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.935 . . . . 0.42 109.583 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 148.69 42.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.151 -0.968 . . . . 2.35 109.487 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.53 136.09 6.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.76 -1.336 . . . . 0.41 109.76 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -80.7 -51.69 8.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.294 -1.121 . . . . 2.59 109.539 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.13 -47.66 82.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.291 -0.88 . . . . 2.54 109.509 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.478 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttm180 -60.78 -42.55 97.75 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.313 -0.867 . . . . 3.39 109.602 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' C' ' 332' ' ' ILE . 44.4 t80 -54.68 -57.15 12.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.355 -0.84 . . . . 0.47 109.465 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.39 -34.6 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -0.909 . . . . 1.66 109.695 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.63 -49.25 74.0 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.351 -0.843 . . . . 0.61 110.095 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.4 m-85 -61.01 -52.61 64.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.33 109.226 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.39 -39.97 48.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -0.764 . . . . 3.28 109.667 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.47 -43.7 98.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.78 110.033 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' D' ' 344' ' ' LEU . 38.1 mt -61.68 -43.36 99.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.38 109.407 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.87 -49.58 76.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 1.2 109.674 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.8 -31.98 73.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 2.12 110.068 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -53.67 54.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.151 -0.968 . . . . 0.26 110.007 -179.555 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.82 -42.79 98.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.4 109.559 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.18 -34.24 73.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 2.09 109.612 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.707 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.0 tt -64.6 -45.94 84.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.915 . . . . 0.75 109.43 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.99 97.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.533 -0.729 . . . . 2.19 109.179 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -37.57 73.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.548 -0.72 . . . . 1.34 109.734 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -26.96 66.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.72 109.55 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -83.26 -12.62 56.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.194 -0.942 . . . . 1.8 109.589 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -6.77 45.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.33 -0.856 . . . . 1.39 109.45 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 0.28 88.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.725 -1.35 . . . . 1.66 109.725 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 32.42 0.68 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -1.213 . . . . 4.45 109.897 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.587 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 0.3 OUTLIER -49.68 -54.45 31.28 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.114 -0.991 . . . . 6.19 109.766 179.724 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 4.7 Cg_exo -60.36 161.95 18.76 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.962 1.775 . . . . 5.58 110.276 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 117.954 -1.47 . . . . 6.9 109.592 -179.969 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.393 -0.595 . . . . 7.36 109.393 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.23 -150.43 0.44 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 7.15 109.349 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.99 102.55 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 6.5 109.626 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.01 0.13 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.195 1.93 . . . . 4.5 110.945 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.437 ' N ' HD23 ' D' ' 323' ' ' LEU . 7.7 mt -81.27 6.35 14.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.818 -1.176 . . . . 4.32 109.657 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -80.06 -160.91 0.31 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 2.46 109.521 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.85 160.02 52.35 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.669 -1.372 . . . . 0.97 109.669 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.76 135.69 57.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.382 -1.069 . . . . 1.67 109.46 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.64 158.69 15.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.174 -0.954 . . . . 0.61 109.569 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.2 m-85 -138.64 -167.03 2.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.56 109.653 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.6 p -153.57 157.71 40.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.935 . . . . 0.43 109.58 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.9 tp -149.21 131.6 15.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.35 109.435 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.7 tt0 -86.61 131.5 34.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.915 . . . . 1.37 109.409 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.532 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.7 mt -123.89 119.35 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -0.928 . . . . 0.48 109.552 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.46 148.67 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.08 109.579 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.56 136.05 6.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.762 -1.335 . . . . 0.4 109.762 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.67 8.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -1.182 . . . . 2.64 109.494 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.18 -47.66 82.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 2.22 109.457 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.76 -42.53 97.64 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.376 -0.828 . . . . 2.74 109.572 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.532 ' HD1' HD12 ' D' ' 332' ' ' ILE . 44.5 t80 -54.59 -57.18 12.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.43 109.495 -179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.37 -34.63 35.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 1.69 109.781 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.63 -49.35 73.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.19 -0.944 . . . . 0.43 110.079 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.6 m-85 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.222 -0.924 . . . . 0.27 109.189 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.36 -40.06 48.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.404 -0.81 . . . . 2.45 109.638 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.35 -43.88 98.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.75 110.023 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' C' ' 344' ' ' LEU . 38.5 mt -61.56 -43.35 99.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.31 109.501 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.92 -49.47 76.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 1.22 109.648 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -32.05 73.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.297 -0.877 . . . . 1.73 109.972 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.7 -53.71 54.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.28 110.006 -179.51 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.88 -42.62 98.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.31 109.61 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.33 -34.1 73.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 1.91 109.562 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.0 tt -64.7 -45.84 84.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.43 109.415 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.18 -43.86 97.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.461 -0.774 . . . . 1.57 109.163 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -37.66 73.36 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.596 -0.69 . . . . 1.44 109.581 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.12 67.11 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.64 109.495 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -83.2 -12.61 56.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.239 -0.913 . . . . 1.21 109.595 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -7.01 47.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.959 . . . . 1.22 109.489 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.18 0.29 88.79 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.679 -1.369 . . . . 1.5 109.679 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 32.38 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.077 -1.249 . . . . 4.18 109.92 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.571 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 0.3 OUTLIER -49.71 -54.46 31.36 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.078 -1.013 . . . . 5.67 109.738 179.765 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 4.8 Cg_exo -60.4 161.93 18.93 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.931 1.754 . . . . 5.65 110.357 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.542 -1.423 . . . . 7.27 109.542 -179.996 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 321' ' ' LYS . 17.3 mttt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.553 -0.536 . . . . 7.33 109.553 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.75 -89.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 7.21 109.5 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 8.3 mttt 64.58 64.16 1.17 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 6.47 109.702 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.3 Cg_exo -60.6 170.21 4.64 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.201 1.934 . . . . 4.53 110.121 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 mt -80.59 109.28 14.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.196 -0.94 . . . . 4.35 109.469 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.42 -170.61 2.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.916 . . . . 2.48 109.453 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.39 164.81 47.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.497 -1.441 . . . . 0.98 109.497 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.46 130.84 48.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 1.7 109.552 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 13.0 m-85 -93.33 156.86 16.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.94 . . . . 0.61 109.394 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.7 m-85 -139.47 -169.84 2.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.58 109.584 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 73.7 p -153.55 158.56 41.42 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.877 . . . . 0.42 109.442 -179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' C' ' 329' ' ' THR . 18.7 tp -149.52 133.91 17.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 0.36 109.601 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.92 126.58 34.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.883 . . . . 1.37 109.224 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.1 mt -123.71 111.05 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.141 -0.974 . . . . 0.47 109.62 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.3 40.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.29 -0.881 . . . . 2.1 109.456 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.21 130.0 6.63 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.97 1.33 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -1.096 . . . . 2.68 109.504 179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.64 87.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.384 -0.823 . . . . 2.22 109.669 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 3.3 ttt180 -60.53 -43.52 97.08 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.257 -0.902 . . . . 2.77 109.667 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 36.1 t80 -55.07 -56.31 21.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.43 109.633 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -51.15 -33.05 25.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 1.66 109.868 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.15 -50.04 71.96 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.178 -0.951 . . . . 0.44 110.04 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.4 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.8 m-85 -61.23 -47.6 85.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.938 . . . . 0.29 109.171 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.06 -42.24 62.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.381 -0.824 . . . . 2.44 109.854 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.57 -40.96 93.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 1.74 110.025 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 344' ' ' LEU . 85.6 mt -62.36 -46.0 90.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.908 . . . . 0.3 109.484 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -58.19 -47.13 84.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.894 . . . . 1.22 109.831 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -33.98 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.305 -0.872 . . . . 1.72 109.935 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.35 -51.89 67.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.27 110.076 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.32 -41.83 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.846 . . . . 0.29 109.72 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.67 -37.29 78.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 1.91 109.783 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.9 tp -64.31 -45.25 88.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.41 109.659 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.54 -36.57 80.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.56 108.951 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -56.52 -36.36 69.12 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.409 -0.807 . . . . 1.43 109.465 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.09 87.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.386 -0.821 . . . . 0.66 109.475 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -81.4 -0.35 41.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 1.18 109.588 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.28 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.247 -0.908 . . . . 1.23 109.543 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 57.94 4.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.882 -1.287 . . . . 1.54 109.882 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.01 128.5 35.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -1.196 . . . . 4.18 109.404 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.75 164.39 0.42 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 5.71 109.629 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.79 140.74 92.21 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.282 1.988 . . . . 5.61 110.252 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.508 -1.437 . . . . 7.24 109.508 -179.994 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 321' ' ' LYS . 17.3 mttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.257 0.551 . . . . 7.34 109.541 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.64 -89.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 7.17 109.486 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 8.3 mttt 64.45 64.22 1.2 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.219 -0.925 . . . . 6.44 109.742 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.4 Cg_exo -60.63 170.16 4.72 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.298 1.999 . . . . 4.54 110.062 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.47 109.2 14.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 4.32 109.47 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -79.47 -170.75 2.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 2.47 109.39 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.428 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.17 164.88 46.81 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.532 -1.427 . . . . 0.95 109.532 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.67 130.89 49.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -1.151 . . . . 1.61 109.476 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 13.0 m-85 -93.43 156.76 16.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 0.57 109.367 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.53 109.525 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.9 p -153.41 158.43 41.43 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.38 109.536 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.0 tp -149.41 134.01 17.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.36 109.532 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.88 126.52 34.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.36 109.166 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' B' ' 341' ' ' PHE . 49.9 mt -123.67 110.95 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.119 -0.988 . . . . 0.49 109.71 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.35 152.19 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.226 -0.922 . . . . 2.1 109.452 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.29 130.03 6.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.807 -1.317 . . . . 0.44 109.807 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.98 1.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -1.132 . . . . 2.72 109.504 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.73 87.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.456 -0.778 . . . . 2.21 109.694 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.43 -43.62 96.6 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.261 -0.899 . . . . 2.79 109.69 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 35.8 t80 -55.09 -56.14 23.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.45 109.734 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.33 -32.9 26.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.333 -0.855 . . . . 1.68 109.904 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.26 -49.95 72.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.161 -0.962 . . . . 0.43 110.096 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.401 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.0 m-85 -61.18 -47.68 85.06 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.097 -1.002 . . . . 0.28 109.213 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.03 -42.18 62.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 2.52 109.891 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -60.58 -41.04 93.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.096 -1.002 . . . . 1.75 109.959 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -46.01 90.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.31 109.588 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -58.17 -47.23 84.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.872 . . . . 1.21 109.803 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -34.04 75.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.834 . . . . 1.69 110.031 -179.663 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.29 -51.93 67.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.27 110.129 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.14 -42.02 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.854 . . . . 0.3 109.719 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.58 -37.28 78.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.93 109.758 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 15.8 tp -64.3 -45.31 88.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.4 109.62 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.43 -36.71 81.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.59 108.866 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.43 -36.33 68.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.523 -0.735 . . . . 1.43 109.503 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.19 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.65 109.407 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -81.35 -0.44 41.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.19 109.573 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.21 13.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.163 -0.961 . . . . 1.22 109.563 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 58.15 4.89 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.798 -1.321 . . . . 1.53 109.798 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.14 128.42 35.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -1.145 . . . . 4.21 109.342 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.73 164.35 0.42 Allowed Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 5.68 109.629 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.61 140.69 92.4 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.29 1.993 . . . . 5.57 110.273 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 118.037 -1.424 . . . . 7.2 109.561 179.879 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' C' ' 321' ' ' LYS . 17.2 mttt . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.517 -0.549 . . . . 8.96 109.517 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.66 -89.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 8.15 109.482 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 8.2 mttt 64.51 64.22 1.18 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 7.15 109.704 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.3 Cg_exo -60.54 170.23 4.56 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.216 1.944 . . . . 4.35 110.115 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.1 mt -80.66 109.31 15.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.178 -0.951 . . . . 4.63 109.505 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -79.47 -170.6 2.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 2.85 109.428 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.3 164.85 47.28 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.512 -1.435 . . . . 1.12 109.512 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.61 130.87 48.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -1.123 . . . . 2.11 109.587 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 13.0 m-85 -93.35 156.82 16.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.64 109.401 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -139.42 -169.92 2.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.199 -0.938 . . . . 0.49 109.488 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 74.7 p -153.51 158.49 41.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.219 -0.926 . . . . 0.47 109.549 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.0 tp -149.59 133.93 17.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.347 -0.845 . . . . 0.42 109.497 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.75 126.54 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 1.81 109.241 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.68 111.08 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.143 -0.973 . . . . 0.42 109.679 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' HD3' ' HA3' ' A' ' 325' ' ' GLY . 1.0 OUTLIER -73.44 152.17 40.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.323 -0.861 . . . . 2.35 109.453 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.37 130.02 6.66 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.754 -1.338 . . . . 0.41 109.754 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 16.2 ttm180 -74.3 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.347 -1.09 . . . . 2.59 109.428 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -41.62 87.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.406 -0.809 . . . . 2.54 109.736 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.58 -43.59 97.18 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.281 -0.887 . . . . 3.39 109.649 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -55.15 -56.17 22.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.47 109.644 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -51.34 -32.87 27.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 1.66 109.87 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.24 -50.01 71.89 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.205 -0.934 . . . . 0.61 110.069 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.17 -47.67 85.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.33 109.157 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.08 -42.22 63.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.395 -0.815 . . . . 3.28 109.811 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.53 -41.02 93.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 1.78 110.042 -179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 344' ' ' LEU . 85.7 mt -62.36 -45.91 91.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.38 109.56 -179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -58.23 -47.13 84.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.2 109.742 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -33.96 75.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.865 . . . . 2.12 109.914 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -52.04 66.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.933 . . . . 0.26 110.04 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.439 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 35.7 mt -61.11 -42.07 97.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.4 109.704 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.5 -37.31 77.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 2.09 109.808 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 15.8 tp -64.2 -45.43 88.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.75 109.612 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -61.42 -36.63 80.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 2.19 108.92 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.41 -36.37 68.84 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.585 -0.697 . . . . 1.34 109.481 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.28 87.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.72 109.451 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -81.37 -0.35 40.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.328 -0.858 . . . . 1.8 109.556 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.23 -54.26 13.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.39 109.538 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 57.99 4.93 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.841 -1.304 . . . . 1.66 109.841 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.99 128.35 35.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.106 -1.232 . . . . 4.45 109.459 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.7 164.36 0.42 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 6.19 109.602 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.7 140.76 92.53 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.228 1.952 . . . . 5.58 110.267 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 CA-C-O 118.009 -1.439 . . . . 6.9 109.517 179.959 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' D' ' 321' ' ' LYS . 17.2 mttt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 7.36 109.503 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.66 -88.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.897 . . . . 7.15 109.516 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 8.3 mttt 64.42 64.16 1.21 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.968 . . . . 6.5 109.697 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.3 Cg_exo -60.51 170.21 4.54 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.291 1.994 . . . . 4.5 110.136 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.62 109.22 14.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 4.32 109.504 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.5 -170.74 2.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 2.46 109.427 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.3 164.79 47.33 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.425 -1.47 . . . . 0.97 109.425 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.43 130.77 48.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -1.117 . . . . 1.67 109.581 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 12.8 m-85 -93.31 156.75 16.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.61 109.497 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.95 2.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.56 109.618 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.5 p -153.45 158.5 41.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.43 109.51 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.1 tp -149.49 134.0 17.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.35 109.547 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.87 126.51 34.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 1.37 109.187 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -123.7 111.04 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.48 109.66 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HD3' ' HA3' ' B' ' 325' ' ' GLY . 1.0 OUTLIER -73.46 152.08 40.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.938 . . . . 2.08 109.41 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.38 130.11 6.69 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.709 -1.357 . . . . 0.4 109.709 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 16.2 ttm180 -74.39 -62.84 1.38 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -1.145 . . . . 2.64 109.468 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -41.66 87.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 2.22 109.75 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.49 -43.5 96.92 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.126 -0.984 . . . . 2.74 109.77 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 36.0 t80 -55.07 -56.16 22.91 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.295 -0.878 . . . . 0.43 109.737 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.41 -32.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.69 109.896 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.3 -50.05 71.59 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.163 -0.96 . . . . 0.43 109.992 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.06 -47.68 85.23 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.251 -0.905 . . . . 0.27 109.266 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.1 -42.17 63.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 2.45 109.885 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -60.6 -40.97 93.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.154 -0.967 . . . . 1.75 109.961 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.42 -45.85 91.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.31 109.588 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.25 -47.09 84.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.22 109.802 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -33.95 75.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.875 . . . . 1.73 110.003 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.25 -52.04 66.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.276 -0.89 . . . . 0.28 110.131 -179.722 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.13 -42.05 97.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.31 109.681 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.58 -37.23 77.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.91 109.807 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.54 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 15.9 tp -64.24 -45.44 88.14 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.43 109.63 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.35 -36.69 80.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.878 . . . . 1.57 108.963 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -56.41 -36.29 68.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.578 -0.701 . . . . 1.44 109.521 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.19 87.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.64 109.481 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.3 -0.36 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 1.21 109.632 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.28 -54.23 13.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 1.22 109.526 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 57.95 4.92 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.806 -1.318 . . . . 1.5 109.806 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.04 128.35 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -1.16 . . . . 4.18 109.474 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.67 164.39 0.42 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.26 -0.9 . . . . 5.67 109.673 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.74 140.75 92.38 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.272 1.982 . . . . 5.65 110.316 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 117.93 -1.484 . . . . 7.27 109.527 -179.942 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.426 -0.583 . . . . 7.33 109.426 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.18 91.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 7.21 109.383 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.95 85.05 0.2 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 6.47 109.03 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.44 -2.79 7.84 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.217 1.945 . . . . 4.53 110.985 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.67 93.23 7.32 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.821 -1.175 . . . . 4.35 109.576 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 1.1 m-20 -83.34 141.44 31.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.474 -0.766 . . . . 2.48 109.369 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.92 154.21 53.23 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.219 -1.553 . . . . 0.98 109.219 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.35 130.19 45.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -1.157 . . . . 1.7 109.341 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 8.5 m-85 -93.06 153.68 18.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.134 -0.979 . . . . 0.61 109.596 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.4 m-85 -139.32 -172.03 3.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.58 109.597 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -153.15 160.16 42.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 0.42 109.388 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.95 131.34 16.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.905 . . . . 0.36 109.52 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.23 132.3 34.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 1.37 109.383 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' HD1' ' A' ' 338' ' ' PHE . 65.6 mt -123.51 109.23 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.47 109.479 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -73.64 116.88 14.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 2.1 109.194 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.54 4.21 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.476 -1.45 . . . . 0.42 109.476 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.2 ttp180 -81.01 -57.0 3.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -1.121 . . . . 2.68 109.634 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.45 -46.38 86.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -0.907 . . . . 2.22 109.672 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.488 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.4 ttm180 -60.78 -41.58 95.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.253 -0.904 . . . . 2.77 109.506 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.525 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.5 t80 -55.12 -55.66 28.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.43 109.579 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.86 -37.98 54.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 1.66 110.027 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.74 -46.53 87.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.236 -0.915 . . . . 0.44 110.154 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.49 -51.12 69.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.29 109.274 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.81 59.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.374 -0.829 . . . . 2.44 109.761 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.84 -41.13 90.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.221 -0.925 . . . . 1.74 109.857 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' B' ' 344' ' ' LEU . 69.7 mt -62.52 -44.89 95.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.3 109.525 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.56 -47.5 84.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 1.22 109.977 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.88 -37.05 83.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 1.72 109.968 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.53 -51.99 67.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.922 . . . . 0.27 110.028 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 29.5 mt -61.38 -41.5 97.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.312 -0.868 . . . . 0.29 109.647 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.78 -35.88 75.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.91 109.56 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 350' ' ' LEU . 10.6 tp -64.01 -45.36 89.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.87 . . . . 0.41 109.59 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.68 -43.27 99.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.56 109.169 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.7 -31.19 64.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.636 -0.665 . . . . 1.43 109.799 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.21 72.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.381 -0.824 . . . . 0.66 109.598 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -81.88 -5.82 58.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 1.18 109.563 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.52 -49.26 42.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.169 -0.957 . . . . 1.23 109.566 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.77 6.88 60.49 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.956 -1.258 . . . . 1.54 109.956 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -86.23 104.46 15.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -1.156 . . . . 4.18 109.405 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 109.44 1.23 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 5.71 109.592 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.61 -1.75 6.3 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.167 1.912 . . . . 5.61 110.896 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.467 -1.453 . . . . 7.24 109.467 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.404 -0.591 . . . . 7.34 109.404 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 91.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 7.17 109.42 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.8 85.04 0.2 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 6.44 109.134 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.28 -2.98 7.93 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.267 1.978 . . . . 4.54 111.042 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.59 93.17 7.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.909 -1.119 . . . . 4.32 109.625 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 1.1 m-20 -83.25 141.26 32.0 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.477 -0.764 . . . . 2.47 109.4 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.68 154.08 53.14 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.188 -1.565 . . . . 0.95 109.188 179.7 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.38 130.11 45.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.176 -1.19 . . . . 1.61 109.393 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 8.6 m-85 -93.05 153.7 18.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.57 109.594 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.5 m-85 -139.3 -171.91 3.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.53 109.504 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 67.8 p -153.2 160.04 42.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.38 109.376 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.83 131.33 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -0.895 . . . . 0.36 109.611 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.13 132.2 34.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 1.36 109.455 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.521 HD12 ' HD1' ' B' ' 338' ' ' PHE . 65.5 mt -123.49 109.15 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.49 109.484 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.505 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -73.53 116.91 14.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 2.1 109.279 179.841 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.38 136.64 4.23 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.447 -1.461 . . . . 0.44 109.447 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.2 ttp180 -81.13 -56.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.301 -1.117 . . . . 2.72 109.731 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.56 -46.62 86.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.32 -0.862 . . . . 2.21 109.596 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.49 -41.71 94.83 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.164 -0.96 . . . . 2.79 109.572 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' B' ' 332' ' ' ILE . 43.8 t80 -55.11 -55.56 29.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.45 109.661 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.9 -37.96 54.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 1.68 110.038 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.78 -46.54 87.54 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.166 -0.959 . . . . 0.43 110.185 -179.317 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.41 -51.1 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.28 109.348 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.63 59.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 2.52 109.696 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.83 -41.23 90.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.1 -1.0 . . . . 1.75 109.852 -179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 344' ' ' LEU . 70.3 mt -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.231 -0.918 . . . . 0.31 109.574 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.55 -47.56 83.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.21 109.932 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.95 -36.98 83.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.29 -0.881 . . . . 1.69 109.958 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.57 -51.98 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.272 -0.892 . . . . 0.27 109.962 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.36 -41.53 97.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.3 109.687 -179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.81 -35.86 75.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.291 -0.881 . . . . 1.93 109.537 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 350' ' ' LEU . 10.6 tp -64.04 -45.28 89.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.4 109.643 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.79 -43.23 99.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.431 -0.793 . . . . 1.59 109.059 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.78 -31.3 64.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.591 -0.693 . . . . 1.43 109.602 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -48.14 72.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.65 109.618 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -81.91 -5.82 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.285 -0.884 . . . . 1.19 109.586 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.52 -49.26 42.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 1.22 109.546 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 6.81 60.6 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.892 -1.283 . . . . 1.53 109.892 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -86.15 104.47 15.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -1.177 . . . . 4.21 109.506 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.44 109.47 1.24 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.324 -0.86 . . . . 5.68 109.518 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.69 -1.65 6.22 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.164 1.91 . . . . 5.57 110.826 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 7.2 109.501 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.33 0.586 . . . . 8.96 109.462 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.1 91.51 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 8.15 109.463 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.73 85.17 0.2 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 7.15 109.101 -179.687 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -2.89 7.96 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.198 1.932 . . . . 4.35 110.983 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.67 93.23 7.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.89 -1.131 . . . . 4.63 109.567 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 1.1 m-20 -83.27 141.4 31.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 2.85 109.413 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.88 154.26 53.25 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.228 -1.549 . . . . 1.12 109.228 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.51 130.21 45.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.244 -1.15 . . . . 2.11 109.328 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 8.5 m-85 -93.11 153.78 18.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.959 . . . . 0.64 109.577 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 79.0 m-85 -139.35 -171.95 3.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.49 109.507 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 66.9 p -153.17 160.17 42.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.174 -0.954 . . . . 0.47 109.401 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.88 131.27 16.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.42 109.551 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -86.13 132.28 34.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.328 -0.857 . . . . 1.81 109.391 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' C' ' 338' ' ' PHE . 65.5 mt -123.46 109.22 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.42 109.516 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -73.68 117.05 15.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 2.35 109.24 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.27 136.55 4.23 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.402 -1.479 . . . . 0.41 109.402 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.2 ttp180 -81.06 -56.94 3.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -1.135 . . . . 2.59 109.629 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -46.49 86.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.361 -0.837 . . . . 2.54 109.688 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.4 ttm180 -60.75 -41.55 95.62 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.246 -0.909 . . . . 3.39 109.523 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.5 t80 -55.17 -55.62 29.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.351 -0.843 . . . . 0.47 109.562 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.89 -37.99 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -0.825 . . . . 1.66 110.026 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.7 -46.59 87.42 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.208 -0.933 . . . . 0.61 110.221 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.31 -51.14 70.12 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.174 -0.954 . . . . 0.33 109.367 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -40.7 59.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.383 -0.823 . . . . 3.28 109.752 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.77 -41.23 90.6 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.271 -0.893 . . . . 1.78 109.866 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' D' ' 344' ' ' LEU . 70.3 mt -62.47 -45.05 94.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.38 109.494 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.39 -47.63 83.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 1.2 110.023 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.97 -36.91 82.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 2.12 109.946 -179.489 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.67 -51.83 68.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 0.26 110.038 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 29.0 mt -61.42 -41.46 97.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 0.4 109.682 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.8 -35.91 75.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.09 109.595 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' D' ' 350' ' ' LEU . 10.6 tp -63.95 -45.31 89.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.75 109.677 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.72 -43.38 98.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 2.19 109.122 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.67 -31.13 64.11 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.541 -0.724 . . . . 1.34 109.753 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.12 72.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.845 . . . . 0.72 109.556 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.539 ' OE1' HD21 ' D' ' 350' ' ' LEU . 9.3 mt-30 -81.87 -5.8 58.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.917 . . . . 1.8 109.642 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.57 -49.19 42.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.39 109.622 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.72 6.77 60.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.908 -1.277 . . . . 1.66 109.908 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -86.11 104.37 15.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.236 . . . . 4.45 109.476 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.43 109.42 1.23 Allowed Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 6.19 109.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.71 -1.58 6.11 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.052 1.835 . . . . 5.58 110.864 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.92 -1.489 . . . . 6.9 109.562 -179.965 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.444 -0.576 . . . . 7.36 109.444 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.26 91.43 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 7.15 109.379 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.92 84.97 0.2 Allowed Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 6.5 109.046 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.32 -2.84 7.75 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.229 1.953 . . . . 4.5 110.993 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.64 93.18 7.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.883 -1.136 . . . . 4.32 109.639 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 1.1 m-20 -83.17 141.31 32.03 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.555 -0.716 . . . . 2.46 109.456 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.77 154.19 53.2 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.18 -1.568 . . . . 0.97 109.18 179.732 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.46 130.25 45.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -1.198 . . . . 1.67 109.262 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 8.5 m-85 -93.16 153.73 18.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.61 109.528 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.4 m-85 -139.4 -171.97 3.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.56 109.455 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 66.9 p -153.23 160.1 42.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.878 . . . . 0.43 109.406 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.8 131.24 16.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.237 -0.914 . . . . 0.35 109.635 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.17 132.3 34.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.32 -0.863 . . . . 1.37 109.369 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' D' ' 338' ' ' PHE . 65.3 mt -123.5 109.21 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.48 109.506 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -73.62 116.87 14.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 2.08 109.331 179.854 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.58 4.22 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.443 -1.463 . . . . 0.4 109.443 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.2 ttp180 -80.93 -56.95 3.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -1.131 . . . . 2.64 109.72 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.37 -46.7 85.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.279 -0.888 . . . . 2.22 109.673 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.54 -41.67 94.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.251 -0.906 . . . . 2.74 109.509 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -55.16 -55.58 29.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 0.43 109.608 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.0 -37.89 54.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 1.69 109.971 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.81 -46.55 87.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.175 -0.953 . . . . 0.43 110.181 -179.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.31 -51.26 69.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.141 -0.975 . . . . 0.27 109.341 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.65 59.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.429 -0.795 . . . . 2.45 109.756 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.237 -0.914 . . . . 1.75 109.745 -179.576 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' C' ' 344' ' ' LEU . 70.1 mt -62.46 -44.97 95.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.31 109.508 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -58.46 -47.66 83.28 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.96 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -36.92 82.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 1.73 110.017 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.68 -51.77 68.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.28 110.065 -179.612 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.51 -41.39 97.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.31 109.663 -179.651 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.96 -35.72 75.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 1.91 109.587 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' C' ' 354' ' ' GLN . 10.6 tp -64.05 -45.32 89.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.43 109.627 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' C' ' 350' ' ' LEU . 35.5 ttmt -61.71 -43.25 99.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 1.57 109.136 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.83 -31.21 64.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.62 -0.675 . . . . 1.44 109.669 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -48.17 72.78 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.896 . . . . 0.64 109.637 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.86 -5.82 58.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 1.21 109.621 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.59 -49.23 42.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 1.22 109.527 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 6.87 60.41 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.909 -1.276 . . . . 1.5 109.909 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -86.18 104.46 15.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -1.158 . . . . 4.18 109.53 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 109.4 1.22 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.351 -0.843 . . . . 5.67 109.559 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.65 -1.69 6.24 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.066 1.844 . . . . 5.65 110.853 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 N-CA-C 109.473 -1.451 . . . . 7.27 109.473 -179.981 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.398 -0.593 . . . . 7.33 109.398 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 322' ' ' PRO . 0.2 OUTLIER 60.57 -150.77 0.41 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 7.21 109.723 179.743 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.754 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 31.8 ttpt 67.22 39.44 0.22 Allowed Pre-proline 0 N--CA 1.487 1.414 0 O-C-N 121.47 -0.769 . . . . 6.47 111.256 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.754 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 9.6 Cg_endo -75.23 -0.63 10.27 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 121.443 1.429 . . . . 4.53 110.139 179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.79 49.04 1.53 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.261 -0.9 . . . . 4.35 110.822 -178.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -80.15 -90.4 0.06 Allowed 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.235 -0.915 . . . . 2.48 108.842 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.83 151.11 48.82 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.341 -1.504 . . . . 0.98 109.341 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.81 147.44 38.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.196 -1.179 . . . . 1.7 109.569 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.19 153.21 17.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.61 109.766 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HG3' ' C' ' 331' ' ' GLN . 84.5 m-85 -140.91 -173.57 3.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.58 109.579 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.8 p -152.09 157.32 41.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.42 109.34 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -148.59 131.06 15.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.271 -0.893 . . . . 0.36 109.406 -179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.5 tt0 -85.78 131.88 34.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 1.37 109.2 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 341' ' ' PHE . 53.4 mt -123.99 115.48 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.962 . . . . 0.47 109.668 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.84 149.97 41.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 2.1 109.274 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.84 139.13 10.42 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.6 -1.4 . . . . 0.42 109.6 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.549 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 1.4 ttm-85 -82.26 -57.47 3.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.237 -1.155 . . . . 2.68 109.324 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.46 -41.34 89.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.406 -0.809 . . . . 2.22 109.647 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.44 -44.34 95.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.271 -0.893 . . . . 2.77 109.694 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.79 -53.28 57.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.43 109.54 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.98 -37.67 53.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 1.66 109.744 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 12.7 ttp -63.03 -45.82 90.5 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.18 -0.95 . . . . 0.44 110.115 -179.576 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 332' ' ' ILE . 23.2 m-85 -61.57 -54.22 45.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.29 109.333 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.72 -34.12 25.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 2.44 109.5 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 340' ' ' MET . 34.6 tt0 -60.25 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.187 -0.946 . . . . 1.74 109.521 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 344' ' ' LEU . 96.2 mt -61.45 -34.5 75.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.3 108.903 179.587 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.17 -54.06 51.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.462 -0.774 . . . . 1.22 109.53 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.23 -31.74 72.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.445 -0.785 . . . . 1.72 109.912 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.05 -54.41 45.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.185 -0.947 . . . . 0.27 110.045 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.16 -42.72 99.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.29 109.696 -179.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.72 -35.46 74.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 1.91 109.595 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.611 HD11 ' NE2' ' B' ' 354' ' ' GLN . 18.6 tp -64.86 -42.03 95.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 0.41 109.366 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 30.3 ttmt -62.64 -50.1 72.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.81 . . . . 1.56 109.089 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.22 -30.46 64.61 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.601 -0.687 . . . . 1.43 109.805 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.17 91.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.66 109.944 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.52 ' OE1' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.83 -6.84 59.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 1.18 109.765 -179.775 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.98 60.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.145 -0.972 . . . . 1.23 109.441 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -6.45 83.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.688 -1.365 . . . . 1.54 109.688 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.34 120.7 27.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -1.232 . . . . 4.18 109.333 -179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -50.48 123.49 17.35 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 5.71 109.516 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.68 131.11 34.03 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.048 1.832 . . . . 5.61 110.316 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.966 -1.463 . . . . 7.24 109.597 179.882 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.384 -0.599 . . . . 7.34 109.384 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' B' ' 322' ' ' PRO . 0.2 OUTLIER 60.56 -150.76 0.41 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 7.17 109.763 179.75 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.75 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 31.8 ttpt 67.1 39.55 0.22 Allowed Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.374 -0.829 . . . . 6.44 111.296 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.75 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 9.6 Cg_endo -75.23 -0.61 10.25 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.485 1.457 . . . . 4.54 110.118 179.414 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -83.76 48.98 1.52 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.384 -0.822 . . . . 4.32 110.846 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.07 -90.29 0.06 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.27 -0.894 . . . . 2.47 108.847 179.302 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.17 151.2 48.42 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.219 -1.553 . . . . 0.95 109.219 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 147.36 37.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.235 -1.156 . . . . 1.61 109.544 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.18 153.24 17.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.912 . . . . 0.57 109.79 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.9 m-85 -140.92 -173.5 3.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -0.85 . . . . 0.53 109.549 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.403 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 56.9 p -152.06 157.35 41.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.38 109.343 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.63 130.99 15.63 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.278 -0.889 . . . . 0.36 109.472 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 32.6 tt0 -85.72 131.77 34.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.36 109.206 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' B' ' 341' ' ' PHE . 52.3 mt -123.88 115.38 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.49 109.792 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.9 149.9 41.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 2.1 109.358 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.09 10.42 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.598 -1.401 . . . . 0.44 109.598 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.535 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 1.4 ttm-85 -82.37 -57.35 3.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -1.16 . . . . 2.72 109.3 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -59.52 -41.43 89.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 2.21 109.65 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.35 -44.24 95.75 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.321 -0.862 . . . . 2.79 109.813 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.92 -53.23 58.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.312 -0.868 . . . . 0.45 109.537 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.96 -37.6 53.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 1.68 109.744 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 12.8 ttp -63.15 -45.82 90.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.223 -0.923 . . . . 0.43 109.984 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.479 ' CB ' HD13 ' B' ' 332' ' ' ILE . 23.3 m-85 -61.68 -54.18 46.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.28 109.345 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.67 -34.16 25.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.283 -0.886 . . . . 2.52 109.473 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 340' ' ' MET . 34.4 tt0 -60.27 -49.25 78.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 1.75 109.483 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 344' ' ' LEU . 96.1 mt -61.62 -34.34 75.5 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.278 -0.889 . . . . 0.31 108.962 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.12 -54.22 49.53 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.376 -0.828 . . . . 1.21 109.508 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.95 -31.88 73.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.495 -0.753 . . . . 1.69 109.978 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.1 -54.33 45.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.27 110.039 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.21 -42.7 99.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.899 . . . . 0.3 109.749 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.66 -35.67 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.93 109.577 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.52 HD11 ' OE1' ' A' ' 354' ' ' GLN . 18.6 tp -64.65 -42.11 95.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.4 109.393 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 30.3 ttmt -62.59 -50.15 72.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.468 -0.77 . . . . 1.59 109.11 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.24 -30.33 64.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.563 -0.711 . . . . 1.43 109.807 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.22 91.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.65 109.905 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.611 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.71 -6.92 59.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 1.19 109.753 -179.796 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -11.02 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 1.22 109.475 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -6.43 83.2 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.598 -1.401 . . . . 1.53 109.598 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.34 120.66 27.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.114 -1.227 . . . . 4.21 109.496 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.42 123.58 17.32 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 5.68 109.559 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.85 131.26 34.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.019 1.813 . . . . 5.57 110.222 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.031 -1.427 . . . . 7.2 109.539 179.871 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.396 -0.594 . . . . 8.96 109.396 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' C' ' 322' ' ' PRO . 0.2 OUTLIER 60.64 -150.8 0.41 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.932 . . . . 8.15 109.684 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.748 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 31.8 ttpt 67.06 39.57 0.22 Allowed Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.484 -0.76 . . . . 7.15 111.31 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.748 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 9.6 Cg_endo -75.2 -0.75 10.4 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.558 1.505 . . . . 4.35 110.041 179.449 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -83.69 49.08 1.53 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.273 -0.892 . . . . 4.63 110.883 -178.706 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.27 -90.28 0.06 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.29 -0.881 . . . . 2.85 108.828 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.01 151.22 48.73 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.261 -1.536 . . . . 1.12 109.261 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.75 147.35 38.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.127 -1.22 . . . . 2.11 109.557 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.2 153.34 17.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 0.64 109.835 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.5 m-85 -140.93 -173.58 3.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.49 109.59 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.6 p -152.04 157.21 41.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.129 -0.982 . . . . 0.47 109.332 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.44 131.13 15.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.42 109.47 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.5 tt0 -85.83 131.8 34.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 1.81 109.174 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' C' ' 341' ' ' PHE . 52.8 mt -123.89 115.44 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.42 109.731 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.85 149.93 41.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 2.35 109.341 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.13 10.45 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.619 -1.393 . . . . 0.41 109.619 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 1.4 ttm-85 -82.33 -57.39 3.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -1.12 . . . . 2.59 109.324 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -59.57 -41.17 89.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.344 -0.847 . . . . 2.54 109.67 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.65 -44.13 96.79 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.239 -0.913 . . . . 3.39 109.719 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.94 -53.19 58.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.868 . . . . 0.47 109.574 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.99 -37.61 53.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 1.66 109.718 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 12.7 ttp -63.11 -45.84 90.14 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.281 -0.887 . . . . 0.61 110.089 -179.568 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' C' ' 332' ' ' ILE . 23.4 m-85 -61.49 -54.38 44.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.084 -1.01 . . . . 0.33 109.295 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.71 -34.11 25.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 3.28 109.526 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' C' ' 340' ' ' MET . 34.6 tt0 -60.1 -49.47 77.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.13 -0.981 . . . . 1.78 109.487 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' D' ' 344' ' ' LEU . 96.1 mt -61.5 -34.47 75.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.199 -0.938 . . . . 0.38 108.917 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.05 -54.17 50.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.374 -0.828 . . . . 1.2 109.555 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.09 -31.92 73.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.426 -0.796 . . . . 2.12 109.971 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -54.4 45.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.26 110.029 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.4 109.713 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.52 74.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 2.09 109.644 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 18.7 tp -64.96 -41.9 95.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.376 -0.828 . . . . 0.75 109.359 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.68 -49.97 73.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 2.19 109.08 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -57.41 -30.43 64.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.618 -0.676 . . . . 1.34 109.754 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.21 91.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.72 109.954 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.72 -6.95 59.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.217 -0.927 . . . . 1.8 109.7 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.92 60.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.952 . . . . 1.39 109.48 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -6.46 83.06 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.644 -1.383 . . . . 1.66 109.644 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 120.67 27.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -1.2 . . . . 4.45 109.482 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -50.44 123.54 17.32 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.215 -0.928 . . . . 6.19 109.498 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.84 131.1 33.65 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.0 1.8 . . . . 5.58 110.34 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.98 -1.456 . . . . 6.9 109.607 179.895 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.383 -0.599 . . . . 7.36 109.383 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' D' ' 322' ' ' PRO . 0.2 OUTLIER 60.54 -150.86 0.41 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 7.15 109.778 179.784 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.743 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 31.8 ttpt 67.24 39.41 0.22 Allowed Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.439 -0.788 . . . . 6.5 111.246 -179.295 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.743 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 9.5 Cg_endo -75.16 -0.52 10.12 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.409 1.406 . . . . 4.5 110.161 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.82 49.01 1.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 4.32 110.828 -178.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -80.17 -90.29 0.06 Allowed 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.303 -0.873 . . . . 2.46 108.798 179.281 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.11 151.22 48.55 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.201 -1.56 . . . . 0.97 109.201 179.553 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.76 147.34 38.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.191 -1.182 . . . . 1.67 109.599 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.04 153.31 17.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.276 -0.89 . . . . 0.61 109.788 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.2 m-85 -141.01 -173.59 3.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.34 -0.85 . . . . 0.56 109.577 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 57.0 p -152.04 157.37 41.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.43 109.266 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.61 131.09 15.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 0.35 109.438 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.8 131.8 34.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 1.37 109.181 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.482 HD13 ' CB ' ' D' ' 341' ' ' PHE . 52.4 mt -123.88 115.38 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.48 109.828 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 150.0 41.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.928 . . . . 2.08 109.356 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.77 139.14 10.41 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.625 -1.39 . . . . 0.4 109.625 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.4 ttm-85 -82.3 -57.5 3.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -1.071 . . . . 2.64 109.285 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.44 -41.47 89.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 2.22 109.621 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.33 -44.38 95.54 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 2.74 109.652 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.2 t80 -54.83 -53.4 55.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.339 -0.851 . . . . 0.43 109.499 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.76 -37.73 52.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 1.69 109.786 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 12.6 ttp -63.05 -45.85 90.25 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.24 -0.913 . . . . 0.43 110.106 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.482 ' CB ' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.57 -54.34 44.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.972 . . . . 0.27 109.324 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.56 -34.2 24.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 2.45 109.529 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 34.7 tt0 -60.15 -49.39 77.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 1.75 109.52 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' C' ' 344' ' ' LEU . 96.1 mt -61.58 -34.35 75.46 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.164 -0.96 . . . . 0.31 108.899 179.669 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.15 -54.12 50.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.471 -0.768 . . . . 1.22 109.54 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.01 -32.0 73.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 1.73 109.936 -179.703 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.92 -54.36 45.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.28 110.106 -179.571 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.291 -0.881 . . . . 0.31 109.651 -179.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.51 74.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 1.91 109.619 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.66 HD21 ' NE2' ' C' ' 354' ' ' GLN . 18.8 tp -64.88 -41.96 95.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.314 -0.866 . . . . 0.43 109.308 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 30.3 ttmt -62.67 -50.02 72.81 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.462 -0.774 . . . . 1.57 109.086 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.3 -30.42 64.72 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.616 -0.677 . . . . 1.44 109.757 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.16 90.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.64 109.861 -179.466 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -6.87 59.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -0.88 . . . . 1.21 109.709 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -10.99 60.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.22 109.412 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -6.48 83.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.62 -1.392 . . . . 1.5 109.62 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 120.67 27.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -1.115 . . . . 4.18 109.521 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.48 123.53 17.44 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.277 -0.889 . . . . 5.67 109.564 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.83 131.29 34.55 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.003 1.802 . . . . 5.65 110.239 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.979 -1.456 . . . . 7.27 109.584 179.88 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.419 -0.586 . . . . 7.33 109.419 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt 62.65 116.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 7.21 109.437 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 11.7 tttp 59.8 71.7 0.87 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 6.47 109.3 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.55 -81.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.245 1.963 . . . . 4.53 110.563 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.12 109.02 16.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 4.35 109.825 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.401 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 2.8 m-20 -81.2 -134.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 2.48 109.195 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.98 166.55 43.8 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.501 -1.44 . . . . 0.98 109.501 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.46 127.2 30.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -1.124 . . . . 1.7 109.84 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 34.5 m-85 -94.56 155.84 16.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.326 -0.859 . . . . 0.61 109.361 179.764 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 75.8 m-85 -140.82 136.37 32.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -0.9 . . . . 0.58 109.301 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.7 p -91.96 171.53 9.06 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.811 . . . . 0.42 109.931 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 330' ' ' LEU . 23.5 tp -148.96 132.39 16.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.316 -0.865 . . . . 0.36 109.345 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.48 122.36 31.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.385 -0.822 . . . . 1.37 109.774 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 341' ' ' PHE . 27.9 mt -124.01 109.75 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.47 109.402 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 1.8 tmt_? -72.99 147.24 45.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 2.1 109.754 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 95.73 131.4 6.62 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 6.0 ttm180 -79.6 -49.56 12.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.263 -1.139 . . . . 2.68 109.313 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.27 -47.21 86.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 2.22 109.323 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.722 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.0 tpp180 -62.51 -42.47 99.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.282 -0.886 . . . . 2.77 109.165 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 20.8 t80 -54.26 -48.94 70.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.33 -0.856 . . . . 0.43 109.289 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.82 -37.61 60.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.27 -0.894 . . . . 1.66 109.766 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -62.68 -46.71 86.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.44 110.06 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.6 m-85 -60.99 -50.9 71.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 0.29 109.452 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.08 -38.59 52.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.826 . . . . 2.44 109.721 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -50.98 71.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 1.74 109.899 -179.662 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 348' ' ' LEU . 84.5 mt -61.31 -33.87 74.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.3 109.209 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.05 -53.52 56.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.386 -0.821 . . . . 1.22 109.742 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.04 82.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.392 -0.818 . . . . 1.72 110.235 -179.598 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.92 -50.26 74.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.27 109.954 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.76 HD22 ' NH1' ' C' ' 337' ' ' ARG . 36.2 mt -62.17 -45.99 90.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.29 109.525 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.49 -31.79 69.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 1.91 109.589 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.512 HD11 ' OE1' ' B' ' 354' ' ' GLN . 14.8 tp -64.77 -47.36 78.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.905 . . . . 0.41 109.365 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.89 -48.87 78.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.457 -0.777 . . . . 1.56 109.128 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.7 -32.35 65.38 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.613 -0.68 . . . . 1.43 109.639 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.3 84.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.66 109.505 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -82.73 -7.53 59.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 1.18 109.506 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.19 -25.22 61.59 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.159 -0.963 . . . . 1.23 109.428 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.99 87.39 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.623 -1.391 . . . . 1.54 109.623 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.67 121.55 29.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.113 -1.228 . . . . 4.18 109.539 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 359' ' ' PRO . 17.0 mt-10 -50.92 164.9 0.4 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 5.71 109.476 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 358' ' ' GLU . 1.2 Cg_endo -67.2 -1.03 5.61 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.215 1.943 . . . . 5.61 110.8 179.617 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.403 -1.479 . . . . 7.24 109.403 -179.956 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.306 0.574 . . . . 7.34 109.511 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.74 116.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.258 -0.901 . . . . 7.17 109.446 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 11.6 tttp 59.87 71.55 0.88 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 6.44 109.34 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.45 -81.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.217 1.944 . . . . 4.54 110.574 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 27.8 mt -82.06 108.99 15.98 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.176 -0.953 . . . . 4.32 109.828 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 2.8 m-20 -81.43 -135.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 2.47 108.988 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.73 166.59 39.3 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 0.95 109.495 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.6 127.34 31.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -1.167 . . . . 1.61 109.742 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 34.9 m-85 -94.68 155.87 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.328 -0.858 . . . . 0.57 109.368 179.693 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 75.8 m-85 -140.83 136.3 32.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.53 109.331 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.94 171.72 8.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.328 -0.857 . . . . 0.38 109.838 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' B' ' 330' ' ' LEU . 23.4 tp -149.14 132.25 16.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.336 -0.852 . . . . 0.36 109.389 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.33 122.44 31.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.36 109.83 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' B' ' 341' ' ' PHE . 28.0 mt -124.14 109.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.49 109.291 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 1.8 tmt_? -72.95 147.19 45.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 2.1 109.703 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.413 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 95.8 131.35 6.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.83 -1.308 . . . . 0.44 109.83 179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 6.0 ttm180 -79.48 -49.7 11.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.175 . . . . 2.72 109.268 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.1 -47.31 85.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.288 -0.882 . . . . 2.21 109.417 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.782 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.0 tpp180 -62.52 -42.35 99.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.282 -0.886 . . . . 2.79 109.215 179.827 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.425 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 20.6 t80 -54.32 -48.92 70.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.852 . . . . 0.45 109.3 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.74 -37.56 59.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 1.68 109.84 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.79 -46.67 86.92 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.27 -0.894 . . . . 0.43 110.024 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.4 m-85 -61.01 -50.83 71.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.28 109.398 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.23 -38.53 53.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 2.52 109.734 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -50.96 72.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 1.75 109.882 -179.681 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.471 HD23 HD21 ' A' ' 348' ' ' LEU . 84.9 mt -61.35 -33.8 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 0.31 109.218 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.1 -53.59 56.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.843 . . . . 1.21 109.683 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.18 82.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.69 110.194 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.07 75.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.27 110.049 -179.529 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.787 HD22 ' NH1' ' D' ' 337' ' ' ARG . 35.2 mt -62.09 -46.07 90.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 0.3 109.61 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.81 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -0.85 . . . . 1.93 109.581 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.416 HD23 HD23 ' A' ' 350' ' ' LEU . 14.7 tp -64.78 -47.47 78.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.4 109.294 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -61.88 -48.79 78.91 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.389 -0.82 . . . . 1.59 109.134 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.673 -0.642 . . . . 1.43 109.682 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.21 83.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 0.65 109.609 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.512 ' OE1' HD11 ' A' ' 350' ' ' LEU . 29.9 mt-30 -82.65 -7.67 59.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 1.19 109.619 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.13 -25.27 61.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.114 -0.991 . . . . 1.22 109.417 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 -3.0 87.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.731 -1.348 . . . . 1.53 109.731 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.6 121.43 29.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -1.184 . . . . 4.21 109.606 -179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' B' ' 359' ' ' PRO . 16.9 mt-10 -50.97 165.01 0.4 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 5.68 109.515 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' B' ' 358' ' ' GLU . 1.2 Cg_endo -67.24 -0.97 5.55 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.31 2.007 . . . . 5.57 110.736 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.44 . . . . 7.2 109.499 -179.877 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.468 -0.567 . . . . 8.96 109.468 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.72 116.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 8.15 109.429 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 11.8 tttp 59.85 71.68 0.87 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 7.15 109.262 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.51 -81.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.23 1.953 . . . . 4.35 110.545 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.17 109.02 16.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 4.63 109.755 -179.695 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 2.8 m-20 -81.23 -134.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.297 -0.877 . . . . 2.85 109.171 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.416 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -67.62 166.6 42.48 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.49 -1.444 . . . . 1.12 109.49 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.57 127.27 31.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -1.156 . . . . 2.11 109.806 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 34.5 m-85 -94.6 155.79 16.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.381 -0.824 . . . . 0.64 109.387 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -140.78 136.36 32.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.49 109.165 179.332 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -91.95 171.58 9.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -0.813 . . . . 0.47 109.889 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' C' ' 330' ' ' LEU . 23.4 tp -149.0 132.34 16.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.829 . . . . 0.42 109.376 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.32 30.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 1.81 109.816 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' C' ' 341' ' ' PHE . 27.8 mt -123.91 109.77 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.252 -0.905 . . . . 0.42 109.339 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 1.8 tmt_? -72.98 147.18 45.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 2.35 109.733 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 95.7 131.39 6.61 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 6.0 ttm180 -79.57 -49.56 12.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.319 -1.106 . . . . 2.59 109.256 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.29 -47.32 85.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 2.54 109.335 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.76 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.0 tpp180 -62.44 -42.42 99.44 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 3.39 109.273 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CG ' ' HB2' ' A' ' 328' ' ' PHE . 20.4 t80 -54.29 -48.92 70.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.47 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.73 -37.51 59.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.222 -0.924 . . . . 1.66 109.856 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.86 -46.66 86.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.169 -0.957 . . . . 0.61 109.987 -179.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 21.6 m-85 -61.02 -50.82 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 0.33 109.457 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -51.19 -38.49 52.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 3.28 109.732 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.25 -50.96 72.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.039 -1.038 . . . . 1.78 109.933 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.493 HD23 HD21 ' D' ' 348' ' ' LEU . 84.7 mt -61.24 -33.92 74.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.189 -0.944 . . . . 0.38 109.187 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.09 -53.55 56.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.408 -0.807 . . . . 1.2 109.641 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -36.07 82.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 2.12 110.256 -179.54 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -50.17 74.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.26 110.013 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.722 HD22 ' NH1' ' A' ' 337' ' ' ARG . 35.7 mt -62.06 -46.06 90.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.4 109.617 -179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.88 69.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 2.09 109.519 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.434 HD11 ' OE1' ' D' ' 354' ' ' GLN . 14.7 tp -64.76 -47.37 78.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.75 109.335 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.85 -48.89 78.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.448 -0.782 . . . . 2.19 109.149 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.65 -32.43 65.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.507 -0.746 . . . . 1.34 109.621 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.34 84.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.274 -0.891 . . . . 0.72 109.46 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.482 ' OE1' HD11 ' D' ' 350' ' ' LEU . 29.5 mt-30 -82.78 -7.45 59.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.929 . . . . 1.8 109.569 -179.89 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.3 -25.16 61.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 1.39 109.432 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.99 87.38 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.703 -1.359 . . . . 1.66 109.703 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.64 121.45 29.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -1.135 . . . . 4.45 109.603 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.408 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 17.0 mt-10 -50.89 164.91 0.4 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 6.19 109.483 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 1.2 Cg_endo -67.28 -0.98 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.187 1.924 . . . . 5.58 110.829 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.444 -1.462 . . . . 6.9 109.444 -179.964 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.44 -0.578 . . . . 7.36 109.44 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.57 116.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 7.15 109.457 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 11.7 tttp 59.81 71.71 0.86 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 6.5 109.178 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.62 -81.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.219 1.946 . . . . 4.5 110.498 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -82.08 109.01 16.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 4.32 109.786 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.27 -134.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 2.46 109.132 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.74 166.67 42.8 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.567 -1.413 . . . . 0.97 109.567 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -58.54 127.28 31.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 1.67 109.832 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 35.2 m-85 -94.54 155.85 16.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.61 109.413 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 76.4 m-85 -140.89 136.36 32.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.56 109.271 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.3 p -91.91 171.75 8.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.43 109.864 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' D' ' 330' ' ' LEU . 23.5 tp -149.21 132.3 16.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 0.35 109.39 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.47 31.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.176 -0.953 . . . . 1.37 109.774 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' D' ' 341' ' ' PHE . 28.1 mt -124.07 109.55 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.253 -0.904 . . . . 0.48 109.303 179.634 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 1.9 tmt_? -72.82 147.04 45.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 2.08 109.793 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 95.86 131.4 6.66 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.739 -1.344 . . . . 0.4 109.739 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 6.0 ttm180 -79.53 -49.48 12.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -1.168 . . . . 2.64 109.354 179.723 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.3 -47.33 85.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 2.22 109.317 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.0 tpp180 -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.218 -0.926 . . . . 2.74 109.256 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 20.4 t80 -54.38 -48.9 70.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.43 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.69 -37.67 59.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.69 109.77 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.78 -46.67 86.93 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.22 -0.925 . . . . 0.43 110.054 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.415 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.8 m-85 -60.97 -50.82 71.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.27 109.425 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.32 -38.39 52.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 2.45 109.695 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.98 71.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 1.75 109.848 -179.722 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.542 HD23 HD21 ' C' ' 348' ' ' LEU . 84.8 mt -61.3 -33.92 74.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.092 -1.005 . . . . 0.31 109.209 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.07 -53.55 56.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.22 109.672 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -35.94 81.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.407 -0.808 . . . . 1.73 110.309 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.01 -50.22 74.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.28 109.9 -179.554 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.782 HD22 ' NH1' ' B' ' 337' ' ' ARG . 35.3 mt -62.05 -46.08 90.73 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.361 -0.837 . . . . 0.31 109.579 -179.732 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.53 -31.74 69.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 1.91 109.558 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.482 HD11 ' OE1' ' C' ' 354' ' ' GLN . 14.7 tp -64.84 -47.37 78.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.851 . . . . 0.43 109.344 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.74 -49.04 78.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.776 . . . . 1.57 109.145 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.63 -32.33 65.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.557 -0.714 . . . . 1.44 109.766 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.22 83.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.64 109.572 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.434 ' OE1' HD11 ' C' ' 350' ' ' LEU . 29.9 mt-30 -82.63 -7.58 59.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.183 -0.948 . . . . 1.21 109.683 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.07 61.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.128 -0.982 . . . . 1.22 109.422 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 -2.99 87.2 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.683 -1.367 . . . . 1.5 109.683 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.55 121.47 29.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -1.151 . . . . 4.18 109.662 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.406 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 17.0 mt-10 -50.91 164.95 0.4 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 5.67 109.504 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 1.2 Cg_endo -67.45 -0.86 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.18 1.92 . . . . 5.65 110.776 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.411 -1.476 . . . . 7.27 109.411 179.887 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.284 0.564 . . . . 7.33 109.56 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 321' ' ' LYS . 8.0 tttt 65.0 12.0 7.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.881 . . . . 7.21 109.698 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.6 OUTLIER 61.8 138.32 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.257 -0.902 . . . . 6.47 109.649 179.876 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.18 127.28 18.88 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.084 1.856 . . . . 4.53 110.27 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.13 107.39 13.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 4.35 109.45 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.19 -157.99 0.19 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.861 . . . . 2.48 109.508 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 163.0 50.15 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.514 -1.435 . . . . 0.98 109.514 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.59 140.72 53.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -1.183 . . . . 1.7 109.522 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -93.28 157.12 16.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.61 109.437 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -140.16 -169.65 2.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.975 . . . . 0.58 109.771 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.5 p -153.29 157.46 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.42 109.507 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' C' ' 345' ' ' ASN . 11.0 tp -149.31 131.13 15.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.36 109.48 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -87.24 129.12 35.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 1.37 109.566 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 341' ' ' PHE . 40.3 mt -123.97 119.04 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 0.47 109.458 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.11 149.53 41.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 2.1 109.659 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.46 133.27 7.3 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.982 -1.247 . . . . 0.42 109.982 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.0 ttp180 -79.15 -59.88 2.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.25 -1.147 . . . . 2.68 109.31 179.864 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 25.1 pt-20 -58.6 -41.39 85.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.365 -0.835 . . . . 2.22 109.175 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.7 ttp180 -60.91 -45.73 93.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 2.77 109.368 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.48 -49.28 72.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.43 109.638 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.99 44.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.66 110.108 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -62.76 -46.03 89.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.044 -1.035 . . . . 0.44 110.039 -179.332 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.653 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 22.3 m-85 -61.5 -48.85 79.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.137 -0.977 . . . . 0.29 109.33 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -42.98 59.5 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.4 -0.813 . . . . 2.44 109.551 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.21 -40.9 87.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.74 109.8 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.422 HD22 HD22 ' B' ' 344' ' ' LEU . 71.9 mt -62.62 -45.83 91.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.203 -0.936 . . . . 0.3 109.46 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.1 t30 -57.91 -45.01 87.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 1.22 109.789 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.42 -38.37 89.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.295 -0.878 . . . . 1.72 109.839 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.34 -49.24 78.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.25 -0.906 . . . . 0.27 109.784 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 17.5 mt -61.9 -42.32 98.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.29 109.825 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.86 -37.3 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 1.91 109.856 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.14 -49.18 73.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.41 109.315 -179.589 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.89 79.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.787 -0.819 . . . . 1.56 108.787 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.77 -38.23 81.24 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.599 -0.688 . . . . 1.43 109.375 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -23.92 66.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.499 -0.751 . . . . 0.66 109.549 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.473 ' OE1' HD11 ' B' ' 350' ' ' LEU . 21.3 mt-30 -80.39 -49.95 10.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.94 . . . . 1.18 109.323 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.35 -5.87 35.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 1.23 109.558 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.6 2.24 73.84 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.652 -1.379 . . . . 1.54 109.652 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.37 108.64 18.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -1.19 . . . . 4.18 109.585 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.549 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 2.0 mt-10 -49.95 -56.0 20.34 Favored Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.16 -0.962 . . . . 5.71 109.658 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.1 Cg_endo -62.1 146.93 95.95 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.843 1.696 . . . . 5.61 110.185 179.862 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.004 -1.442 . . . . 7.24 109.617 179.977 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.538 -0.541 . . . . 7.34 109.538 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 321' ' ' LYS . 8.0 tttt 64.93 11.97 7.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 7.17 109.704 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.6 OUTLIER 61.88 138.28 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.142 -0.974 . . . . 6.44 109.621 179.796 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.25 127.23 18.7 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 122.089 1.859 . . . . 4.54 110.335 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.09 107.34 13.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.197 -0.939 . . . . 4.32 109.379 179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.06 -158.22 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 2.47 109.523 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 162.98 49.06 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.558 -1.417 . . . . 0.95 109.558 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.67 140.83 54.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.2 -1.177 . . . . 1.61 109.47 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 22.8 m-85 -93.4 157.23 16.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.884 . . . . 0.57 109.36 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.7 m-85 -140.18 -169.7 2.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.936 . . . . 0.53 109.726 -179.834 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.4 p -153.34 157.46 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.38 109.43 -179.739 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.0 tp -149.18 131.14 15.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.36 109.54 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.3 tt0 -87.31 129.16 35.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 1.36 109.513 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' B' ' 341' ' ' PHE . 39.7 mt -123.88 118.97 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.49 109.493 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.06 149.52 41.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.314 -0.866 . . . . 2.1 109.731 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 133.35 7.34 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.908 -1.277 . . . . 0.44 109.908 179.673 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.1 ttp180 -79.18 -59.95 2.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.125 . . . . 2.72 109.366 179.723 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 25.1 pt-20 -58.57 -41.31 85.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.847 . . . . 2.21 109.209 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.7 ttp180 -60.95 -45.72 93.59 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.308 -0.87 . . . . 2.79 109.417 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.55 -49.29 73.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.45 109.592 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.93 44.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 1.68 110.11 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.2 ttp -62.82 -46.04 89.8 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.697 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 22.3 m-85 -61.4 -48.94 78.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.28 109.348 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -42.92 58.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.382 -0.824 . . . . 2.52 109.658 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.37 -40.88 87.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.75 109.748 -179.699 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 344' ' ' LEU . 71.8 mt -62.53 -45.81 91.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.31 109.552 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.43 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.0 t30 -57.88 -45.15 86.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 1.21 109.753 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.26 -38.41 89.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -0.912 . . . . 1.69 109.877 -179.643 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -49.26 78.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.266 -0.896 . . . . 0.27 109.717 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.668 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 17.5 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.3 109.787 -179.66 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.95 -37.31 81.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.337 -0.852 . . . . 1.93 109.792 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.598 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.23 -49.02 73.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.4 109.289 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 35.3 ttmt -60.4 -37.05 79.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.265 -0.897 . . . . 1.59 108.891 179.654 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.62 -38.15 80.53 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.604 -0.685 . . . . 1.43 109.456 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.81 -24.03 66.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.448 -0.782 . . . . 0.65 109.537 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -80.42 -49.81 10.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.362 -0.836 . . . . 1.19 109.371 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -6.04 36.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.335 -0.853 . . . . 1.22 109.618 179.805 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.5 2.14 73.77 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.652 -1.379 . . . . 1.53 109.652 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.13 108.6 18.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -1.129 . . . . 4.21 109.579 -179.825 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.554 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.0 mt-10 -50.1 -55.98 20.91 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.169 -0.957 . . . . 5.68 109.517 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.2 Cg_endo -62.07 146.95 95.97 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 121.855 1.703 . . . . 5.57 110.129 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 CA-C-O 118.035 -1.425 . . . . 7.2 109.559 179.928 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.272 0.558 . . . . 8.96 109.552 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 321' ' ' LYS . 8.0 tttt 64.89 12.1 7.52 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 8.15 109.703 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.6 OUTLIER 61.8 138.31 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 7.15 109.617 179.768 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.14 127.27 18.9 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 121.971 1.781 . . . . 4.35 110.372 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.11 107.3 13.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 4.63 109.426 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.12 -158.02 0.19 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 2.85 109.518 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 162.94 49.94 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.51 -1.436 . . . . 1.12 109.51 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.62 140.79 53.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -1.224 . . . . 2.11 109.522 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 22.7 m-85 -93.43 157.21 16.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.64 109.412 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.3 m-85 -140.14 -169.73 2.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.15 -0.969 . . . . 0.49 109.8 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.4 p -153.42 157.45 39.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.47 109.482 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 345' ' ' ASN . 11.1 tp -149.18 131.12 15.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.121 -0.987 . . . . 0.42 109.555 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -87.3 129.11 35.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 1.81 109.483 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.409 HD13 ' CB ' ' C' ' 341' ' ' PHE . 40.1 mt -123.95 118.96 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.42 109.499 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -73.97 149.45 41.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 2.35 109.773 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.53 133.36 7.35 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.967 -1.253 . . . . 0.41 109.967 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.0 ttp180 -79.32 -59.81 2.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.329 -1.101 . . . . 2.59 109.261 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 25.1 pt-20 -58.63 -41.41 85.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 2.54 109.185 179.772 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.7 ttp180 -60.77 -45.86 92.71 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.364 -0.835 . . . . 3.39 109.36 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.45 -49.34 72.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.398 -0.814 . . . . 0.47 109.624 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.98 44.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 1.66 110.106 -179.528 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.69 -46.17 89.37 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.146 -0.971 . . . . 0.61 110.02 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.4 -48.91 79.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.104 -0.997 . . . . 0.33 109.29 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -42.83 59.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.407 -0.808 . . . . 3.28 109.6 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -59.35 -40.91 87.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.254 -0.904 . . . . 1.78 109.727 -179.727 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' D' ' 344' ' ' LEU . 71.9 mt -62.51 -45.88 90.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.38 109.493 -179.881 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.421 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.0 t30 -57.92 -45.06 87.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.88 . . . . 1.2 109.767 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.24 -38.51 89.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 2.12 109.919 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.39 -49.24 78.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.26 109.746 -179.722 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.653 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 17.4 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.4 109.81 -179.687 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.97 -37.44 82.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 2.09 109.735 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.598 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.02 -49.04 73.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.75 109.384 -179.597 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 35.3 ttmt -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.33 -0.856 . . . . 2.19 108.862 179.708 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.71 -38.13 80.77 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.549 -0.719 . . . . 1.34 109.322 179.656 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -24.17 66.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.72 109.47 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -80.26 -49.95 10.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.8 109.333 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -6.01 36.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 1.39 109.531 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.61 2.3 73.6 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.651 -1.379 . . . . 1.66 109.651 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.23 108.5 18.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -1.184 . . . . 4.45 109.635 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.0 mt-10 -50.01 -55.97 20.75 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.896 . . . . 6.19 109.574 179.804 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.2 Cg_endo -62.02 146.96 96.01 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.821 1.681 . . . . 5.58 110.211 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.477 -1.449 . . . . 6.9 109.477 179.872 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.531 -0.544 . . . . 7.36 109.531 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' D' ' 321' ' ' LYS . 8.0 tttt 64.89 12.05 7.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.293 -0.88 . . . . 7.15 109.7 179.876 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.6 OUTLIER 61.76 138.35 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 6.5 109.674 179.893 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.22 127.32 18.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 121.977 1.785 . . . . 4.5 110.345 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.15 107.46 13.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 4.32 109.289 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.24 -158.0 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 2.46 109.562 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 162.99 49.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.603 -1.399 . . . . 0.97 109.603 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.65 140.77 54.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -1.144 . . . . 1.67 109.475 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -93.34 157.21 16.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.282 -0.887 . . . . 0.61 109.442 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.6 m-85 -140.18 -169.84 2.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.975 . . . . 0.56 109.801 -179.795 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 1.4 p -153.23 157.43 40.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.43 109.464 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.0 tp -149.25 131.07 15.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.35 109.541 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.15 129.07 35.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 1.37 109.54 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' D' ' 341' ' ' PHE . 40.3 mt -123.93 119.0 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.48 109.458 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.05 149.56 41.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 2.08 109.677 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.5 133.27 7.31 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.994 -1.243 . . . . 0.4 109.994 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttp180 -79.17 -59.93 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -1.14 . . . . 2.64 109.345 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 25.1 pt-20 -58.51 -41.41 85.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 2.22 109.163 179.806 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.7 ttp180 -60.89 -45.85 92.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.389 -0.819 . . . . 2.74 109.393 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.45 -49.28 72.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.403 -0.81 . . . . 0.43 109.652 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.89 44.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.213 -0.929 . . . . 1.69 110.14 -179.57 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.8 -46.13 89.39 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.052 -1.03 . . . . 0.43 109.988 -179.357 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.668 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 22.3 m-85 -61.43 -48.9 79.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.27 109.288 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -42.74 60.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.309 -0.869 . . . . 2.45 109.658 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.34 -40.86 87.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.207 -0.933 . . . . 1.75 109.801 -179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' C' ' 344' ' ' LEU . 72.2 mt -62.5 -45.93 90.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.109 -0.995 . . . . 0.31 109.563 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' B' ' 330' ' ' LEU . 54.9 t30 -57.91 -45.0 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.856 . . . . 1.22 109.817 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.34 -38.38 89.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.366 -0.834 . . . . 1.73 109.825 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.45 -49.22 78.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.28 109.691 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.697 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 17.5 mt -61.83 -42.42 99.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.368 -0.832 . . . . 0.31 109.801 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.78 -37.45 81.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 1.91 109.861 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.604 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.19 -49.04 73.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.43 109.35 -179.532 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.93 79.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.57 108.812 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -59.69 -38.15 80.75 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.528 -0.733 . . . . 1.44 109.419 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -24.12 66.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.461 -0.775 . . . . 0.64 109.504 -179.831 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.465 ' OE1' HD11 ' C' ' 350' ' ' LEU . 21.3 mt-30 -80.28 -49.98 10.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.92 . . . . 1.21 109.401 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.18 -6.02 36.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 1.22 109.598 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.48 2.1 73.88 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.67 -1.372 . . . . 1.5 109.67 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.25 108.62 18.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -1.158 . . . . 4.18 109.579 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.0 mt-10 -50.02 -55.99 20.63 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.14 -0.975 . . . . 5.67 109.559 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.2 Cg_endo -62.1 146.97 95.92 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 121.807 1.671 . . . . 5.65 110.175 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 118.027 -1.43 . . . . 7.27 109.581 179.952 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 320' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.467 -0.568 . . . . 7.33 109.467 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.48 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 14.7 mttm 60.7 153.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 7.21 109.538 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.491 ' O ' HD23 ' A' ' 323' ' ' LEU . 43.8 mttt 62.43 149.82 0.1 OUTLIER Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 6.47 109.646 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.55 90.92 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.326 2.018 . . . . 4.53 110.637 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 321' ' ' LYS . 4.5 mm? -81.01 -1.1 42.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 4.35 109.597 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.02 3.18 23.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.104 -0.997 . . . . 2.48 109.799 -179.802 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.5 138.05 31.62 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.504 -1.438 . . . . 0.98 109.504 -179.838 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.0 125.5 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.625 -0.926 . . . . 1.7 109.939 -179.801 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 27.6 m-85 -96.82 154.16 17.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.988 . . . . 0.61 109.175 179.408 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.63 -174.79 3.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.142 -0.974 . . . . 0.58 109.802 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.0 p -153.44 159.08 42.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.42 109.273 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.1 tp -149.05 129.29 13.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.14 -0.975 . . . . 0.36 109.63 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.45 129.77 34.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.37 109.338 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.2 mt -123.83 117.1 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.47 109.559 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.57 156.61 37.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 2.1 109.537 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.1 139.04 6.32 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.756 -1.338 . . . . 0.42 109.756 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.02 -60.59 2.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.348 -1.089 . . . . 2.68 109.531 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.46 -38.09 76.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 2.22 109.65 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.665 HH12 HD22 ' C' ' 348' ' ' LEU . 5.4 tpp180 -62.76 -46.97 85.55 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.287 -0.883 . . . . 2.77 109.54 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' A' ' 332' ' ' ILE . 42.1 t80 -54.88 -51.2 66.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 0.43 109.491 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.26 -32.78 38.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 1.66 109.92 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.56 -52.04 62.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.139 -0.976 . . . . 0.44 110.06 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 19.4 m-85 -60.85 -51.77 67.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.29 109.14 -179.885 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.43 -38.1 41.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.494 -0.754 . . . . 2.44 109.371 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -61.74 -43.96 97.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -0.839 . . . . 1.74 109.793 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.96 -47.02 86.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.341 -0.849 . . . . 0.3 109.737 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.473 ' HB2' HD21 ' C' ' 330' ' ' LEU . 44.7 t30 -58.22 -42.98 87.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 1.22 109.783 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -41.94 99.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 1.72 109.89 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.6 -46.24 89.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.27 109.843 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.616 HD22 HH12 ' C' ' 337' ' ' ARG . 75.4 mt -62.06 -43.5 98.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.29 109.714 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.93 -37.25 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.91 109.78 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -63.53 -48.69 76.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.41 109.732 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.521 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 27.7 ttmt -61.19 -40.8 95.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.312 -0.868 . . . . 1.56 109.153 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.23 -33.03 67.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.559 -0.713 . . . . 1.43 109.586 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.18 89.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.66 109.342 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -81.06 0.88 33.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.18 109.43 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -76.01 0.11 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.233 -0.917 . . . . 1.23 109.846 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.36 60.73 4.8 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.723 -1.351 . . . . 1.54 109.723 -179.733 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 133.37 33.65 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.205 -1.174 . . . . 4.18 109.259 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.59 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 1.1 mt-10 -55.74 -55.87 36.17 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 5.71 109.995 -179.855 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.2 Cg_endo -67.41 -3.7 10.53 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.098 1.865 . . . . 5.61 110.84 -179.755 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 7.24 109.558 -179.947 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 320' ' ' LYS . 14.1 tttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.466 -0.568 . . . . 7.34 109.466 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 14.6 mttm 60.68 153.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 7.17 109.568 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.489 ' O ' HD23 ' B' ' 323' ' ' LEU . 44.2 mttt 62.37 149.86 0.1 OUTLIER Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 6.44 109.571 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.61 90.91 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.344 2.03 . . . . 4.54 110.553 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.492 HD13 ' OH ' ' B' ' 327' ' ' TYR . 4.5 mm? -80.95 -1.07 42.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 4.32 109.604 179.351 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.02 2.98 24.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 2.47 109.842 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.1 138.07 32.4 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.55 -1.42 . . . . 0.95 109.55 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.11 125.31 23.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.567 -0.961 . . . . 1.61 109.965 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 27.6 m-85 -96.73 154.21 17.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.198 -0.939 . . . . 0.57 109.207 179.45 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.8 m-85 -139.57 -174.74 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.53 109.862 -179.695 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.1 p -153.52 159.16 42.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.38 109.256 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.13 129.2 13.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.36 109.529 -179.793 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.47 129.81 34.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.35 -0.843 . . . . 1.36 109.379 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.5 mt -123.77 117.04 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.11 -0.994 . . . . 0.49 109.507 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.63 156.67 37.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.253 -0.905 . . . . 2.1 109.544 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.04 138.98 6.25 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.608 -1.397 . . . . 0.44 109.608 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -79.83 -60.67 2.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -1.104 . . . . 2.72 109.528 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.51 -38.02 76.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.323 -0.861 . . . . 2.21 109.667 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.637 HH12 HD22 ' D' ' 348' ' ' LEU . 5.4 tpp180 -62.8 -46.88 85.89 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.124 -0.985 . . . . 2.79 109.579 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' B' ' 332' ' ' ILE . 42.1 t80 -54.83 -51.36 66.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.425 -0.797 . . . . 0.45 109.477 179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.03 -32.92 36.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 1.68 109.941 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.52 -52.07 62.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.134 -0.979 . . . . 0.43 110.081 -179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' B' ' 332' ' ' ILE . 19.5 m-85 -60.79 -51.82 67.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.28 109.183 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.47 -38.05 41.75 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.439 -0.788 . . . . 2.52 109.38 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.75 -44.07 97.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.912 . . . . 1.75 109.683 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.86 -47.03 86.86 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.235 -0.916 . . . . 0.31 109.747 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.0 t30 -58.26 -42.89 87.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.264 -0.898 . . . . 1.21 109.775 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 1.69 109.769 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.59 -46.2 89.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.27 109.827 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.773 HD22 HH12 ' D' ' 337' ' ' ARG . 75.3 mt -62.03 -43.47 98.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.3 109.845 -179.7 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -60.96 -37.22 81.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 1.93 109.711 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.656 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -63.56 -48.7 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.358 -0.839 . . . . 0.4 109.824 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . 27.8 ttmt -61.21 -40.7 94.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.324 -0.86 . . . . 1.59 109.141 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.24 -33.18 67.3 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.543 -0.723 . . . . 1.43 109.6 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.16 89.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 0.65 109.337 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -81.12 0.89 34.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.19 109.337 179.766 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -75.99 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.253 -0.904 . . . . 1.22 109.836 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.42 60.8 4.79 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.722 -1.351 . . . . 1.53 109.722 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.88 133.41 33.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.282 -1.128 . . . . 4.21 109.184 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.582 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 1.1 mt-10 -55.73 -55.93 35.43 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.334 -0.854 . . . . 5.68 109.921 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.582 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 2.1 Cg_endo -67.4 -3.73 10.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.17 1.914 . . . . 5.57 110.817 -179.656 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.956 -1.469 . . . . 7.2 109.596 179.996 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 320' ' ' LYS . 13.9 tttt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.546 -0.539 . . . . 8.96 109.546 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.481 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 14.8 mttm 60.74 153.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 8.15 109.442 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.494 ' O ' HD23 ' C' ' 323' ' ' LEU . 44.0 mttt 62.48 149.85 0.1 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 7.15 109.588 179.864 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.53 90.89 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.314 2.009 . . . . 4.35 110.645 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.494 HD23 ' O ' ' C' ' 321' ' ' LYS . 4.5 mm? -81.09 -0.94 42.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 4.63 109.58 179.448 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.09 3.15 24.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 2.85 109.838 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.26 137.92 31.92 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.545 -1.422 . . . . 1.12 109.545 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.87 125.35 23.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.538 -0.978 . . . . 2.11 109.998 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 27.4 m-85 -96.81 154.34 17.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.64 109.198 179.386 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.4 m-85 -139.68 -174.78 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.133 -0.979 . . . . 0.49 109.788 -179.632 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.0 p -153.53 159.13 42.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.47 109.25 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -149.08 129.26 13.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.42 109.515 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.38 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.393 -0.817 . . . . 1.81 109.415 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.4 mt -123.79 117.11 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 0.42 109.568 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.65 156.68 37.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.295 -0.878 . . . . 2.35 109.508 179.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.94 6.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.648 -1.381 . . . . 0.41 109.648 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.79 -60.7 2.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 2.59 109.514 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.01 76.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -0.924 . . . . 2.54 109.607 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.616 HH12 HD22 ' A' ' 348' ' ' LEU . 5.4 tpp180 -62.88 -46.84 85.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.229 -0.919 . . . . 3.39 109.543 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' C' ' 332' ' ' ILE . 41.7 t80 -54.94 -51.35 66.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.47 109.336 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -52.08 -32.82 36.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 1.66 109.942 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.62 -52.01 62.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.61 110.095 -179.368 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' C' ' 332' ' ' ILE . 19.6 m-85 -60.84 -51.76 67.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -0.918 . . . . 0.33 109.228 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.39 -38.07 40.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 3.28 109.439 179.6 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.7 -44.11 97.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.328 -0.857 . . . . 1.78 109.781 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.83 -47.11 86.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.38 109.79 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 44.7 t30 -58.21 -42.85 87.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 1.2 109.878 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 2.12 109.823 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.58 -46.25 89.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.26 109.86 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.665 HD22 HH12 ' A' ' 337' ' ' ARG . 75.2 mt -61.92 -43.52 98.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.356 -0.84 . . . . 0.4 109.796 -179.741 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -60.96 -37.2 81.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 2.09 109.672 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.667 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -63.57 -48.73 76.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.387 -0.821 . . . . 0.75 109.75 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -61.19 -40.78 95.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 2.19 109.115 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.25 -33.11 67.25 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.574 -0.704 . . . . 1.34 109.613 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.27 89.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.283 -0.886 . . . . 0.72 109.418 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -81.11 0.97 33.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.34 -0.85 . . . . 1.8 109.428 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -75.95 0.11 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 1.39 109.881 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.45 60.76 4.79 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.691 -1.364 . . . . 1.66 109.691 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.8 133.41 33.65 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.273 -1.133 . . . . 4.45 109.178 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.589 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 1.1 mt-10 -55.85 -55.85 36.57 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.919 . . . . 6.19 109.916 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.1 Cg_endo -67.39 -3.81 10.71 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.132 1.888 . . . . 5.58 110.772 -179.642 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.993 -1.448 . . . . 6.9 109.531 -179.886 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 320' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.328 0.585 . . . . 7.36 109.489 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.483 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 14.7 mttm 60.75 153.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 7.15 109.516 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.49 ' O ' HD23 ' D' ' 323' ' ' LEU . 43.8 mttt 62.34 149.88 0.1 OUTLIER Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 6.5 109.629 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.68 90.98 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.197 1.931 . . . . 4.5 110.609 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.519 ' HA ' HD13 ' D' ' 323' ' ' LEU . 4.5 mm? -81.02 -1.0 42.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.193 -0.942 . . . . 4.32 109.563 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.03 3.07 24.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.152 -0.968 . . . . 2.46 109.889 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.551 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.32 137.99 31.89 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.528 -1.429 . . . . 0.97 109.528 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.85 125.4 23.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.544 -0.974 . . . . 1.67 109.964 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 27.9 m-85 -96.82 154.18 17.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.102 -0.999 . . . . 0.61 109.14 179.367 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.9 m-85 -139.58 -174.72 3.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.56 109.839 -179.765 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 19.9 p -153.55 159.16 42.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.43 109.23 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.14 129.22 13.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 0.35 109.519 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.37 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.9 . . . . 1.37 109.399 179.794 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.5 mt -123.86 117.16 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.167 -0.958 . . . . 0.48 109.542 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.66 156.64 37.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.869 . . . . 2.08 109.534 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.91 6.27 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.763 -1.335 . . . . 0.4 109.763 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -79.87 -60.64 2.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.341 -1.094 . . . . 2.64 109.505 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.04 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.836 . . . . 2.22 109.515 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.773 HH12 HD22 ' B' ' 348' ' ' LEU . 5.5 tpp180 -62.86 -46.88 85.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.2 -0.937 . . . . 2.74 109.586 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.55 ' HD1' HD12 ' D' ' 332' ' ' ILE . 42.0 t80 -54.76 -51.41 65.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.43 109.459 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.21 -32.68 37.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.69 109.919 -179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.7 -51.9 62.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.217 -0.927 . . . . 0.43 110.096 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' D' ' 332' ' ' ILE . 19.3 m-85 -60.95 -51.76 67.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.27 109.13 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.5 -38.03 42.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.36 -0.837 . . . . 2.45 109.383 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.66 -44.04 97.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.345 -0.847 . . . . 1.75 109.794 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -47.04 86.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.9 . . . . 0.31 109.708 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.7 t30 -58.14 -42.91 86.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.902 . . . . 1.22 109.867 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -41.95 99.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 1.73 109.807 -179.689 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.59 -46.28 89.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 0.28 109.795 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.637 HD22 HH12 ' B' ' 337' ' ' ARG . 75.1 mt -61.91 -43.42 98.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.31 109.8 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.02 -37.23 81.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.91 109.709 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.663 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -63.55 -48.7 76.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.43 109.723 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 27.8 ttmt -61.28 -40.77 95.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.321 -0.862 . . . . 1.57 109.105 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.19 -33.07 67.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.556 -0.715 . . . . 1.44 109.562 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.17 89.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.859 . . . . 0.64 109.325 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.416 ' OE1' HD11 ' C' ' 350' ' ' LEU . 68.0 mt-30 -81.06 0.83 34.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 1.21 109.457 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -76.09 0.1 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 1.22 109.893 -179.842 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.39 60.8 4.79 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.638 -1.385 . . . . 1.5 109.638 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.85 133.4 33.63 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.222 -1.163 . . . . 4.18 109.204 179.828 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.577 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 1.1 mt-10 -55.75 -55.93 35.51 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 5.67 109.933 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.1 Cg_endo -67.47 -3.65 10.5 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 122.128 1.885 . . . . 5.65 110.803 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.457 -1.457 . . . . 7.27 109.457 179.935 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 8.4 mttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.299 -0.63 . . . . 7.33 109.299 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 1.0 OUTLIER 62.13 -118.23 0.63 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.141 -0.974 . . . . 7.21 109.344 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.548 ' CB ' ' HD3' ' A' ' 322' ' ' PRO . 3.2 mttt -79.69 -55.79 0.82 Allowed Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 6.47 110.057 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 321' ' ' LYS . 2.0 Cg_endo -62.8 114.63 2.5 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 121.886 1.724 . . . . 4.53 110.339 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 323' ' ' LEU . 34.5 mt -80.92 129.91 34.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 4.35 109.315 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.23 -152.05 0.06 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 2.48 109.489 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 168.25 42.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.57 -1.412 . . . . 0.98 109.57 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.14 139.15 53.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.192 -1.181 . . . . 1.7 109.282 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -94.67 160.12 14.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.61 109.701 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.9 m-85 -138.76 -168.77 2.48 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.191 -0.943 . . . . 0.58 109.341 179.888 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.8 p -154.01 160.65 42.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.166 -0.959 . . . . 0.42 109.566 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -149.45 130.03 13.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.36 109.376 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -86.06 134.75 33.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.291 -0.881 . . . . 1.37 109.593 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.653 HD12 ' HD1' ' A' ' 338' ' ' PHE . 47.9 mt -124.07 117.41 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.286 -0.884 . . . . 0.47 109.35 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 144.3 47.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.427 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.29 136.02 7.24 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.606 -1.398 . . . . 0.42 109.606 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 68.8 ttt180 -81.15 -47.59 13.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -1.152 . . . . 2.68 109.505 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -47.92 82.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.391 -0.818 . . . . 2.22 109.493 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.0 tpp180 -61.94 -42.35 99.01 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.304 -0.873 . . . . 2.77 109.713 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.653 ' HD1' HD12 ' A' ' 332' ' ' ILE . 50.7 t80 -54.67 -49.0 71.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.346 -0.846 . . . . 0.43 109.449 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.24 -38.16 57.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 1.66 109.769 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.0 -46.9 87.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.233 -0.917 . . . . 0.44 110.112 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.531 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.0 m-85 -60.76 -49.18 78.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.149 -0.97 . . . . 0.29 109.137 -179.794 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -38.66 56.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.501 -0.749 . . . . 2.44 109.569 179.818 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.24 66.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 1.74 110.089 -179.518 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' B' ' 344' ' ' LEU . 35.2 mt -59.65 -33.69 71.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.993 -1.067 . . . . 0.3 108.939 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.0 t-20 -60.01 -54.07 50.32 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 1.22 109.801 179.773 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.78 -32.98 74.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.434 -0.792 . . . . 1.72 110.33 -179.497 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.43 -53.26 58.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.27 109.961 -179.635 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.818 HD22 ' NH1' ' C' ' 337' ' ' ARG . 51.8 mt -60.88 -43.15 98.83 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.29 109.741 -179.56 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.61 -35.71 76.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.202 -0.936 . . . . 1.91 109.713 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -65.69 -46.22 79.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.41 109.553 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -37.84 84.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.406 -0.809 . . . . 1.56 108.972 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.47 -33.76 68.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.602 -0.686 . . . . 1.43 109.625 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -48.77 68.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.66 109.483 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -81.6 -0.4 42.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.499 -0.751 . . . . 1.18 109.74 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.85 -42.16 70.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.189 -0.944 . . . . 1.23 109.757 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -16.12 64.84 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.578 -1.409 . . . . 1.54 109.578 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.62 -90.23 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -1.097 . . . . 4.18 109.37 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -48.61 109.2 1.1 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 5.71 109.344 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.77 -81.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.876 1.717 . . . . 5.61 110.195 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.016 -1.436 . . . . 7.24 109.587 -179.992 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 8.3 mttm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.244 -0.65 . . . . 7.34 109.244 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 1.0 OUTLIER 61.97 -117.97 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.054 -1.029 . . . . 7.17 109.448 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.555 ' CB ' ' HD3' ' B' ' 322' ' ' PRO . 3.2 tttt -79.96 -55.68 0.79 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.837 -1.164 . . . . 6.44 110.003 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' B' ' 321' ' ' LYS . 2.1 Cg_endo -62.92 114.76 2.56 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.792 1.661 . . . . 4.54 110.351 -179.903 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 323' ' ' LEU . 35.1 mt -80.95 130.12 34.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 4.32 109.321 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.44 -152.2 0.07 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.877 . . . . 2.47 109.491 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.16 168.12 41.89 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.428 -1.469 . . . . 0.95 109.428 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.21 139.31 53.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.192 -1.181 . . . . 1.61 109.314 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.83 160.17 14.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.57 109.663 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.4 m-85 -138.77 -168.93 2.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.53 109.443 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.4 p -153.86 160.6 42.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.38 109.594 -179.89 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -149.35 130.31 14.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.872 . . . . 0.36 109.225 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -86.32 134.71 33.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.884 . . . . 1.36 109.51 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.662 HD12 ' HD1' ' B' ' 338' ' ' PHE . 48.4 mt -124.06 117.51 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.49 109.394 179.777 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 144.26 47.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.938 . . . . 2.1 109.412 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.22 136.3 7.32 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.528 -1.429 . . . . 0.44 109.528 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 68.7 ttt180 -81.38 -47.7 12.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.132 -1.216 . . . . 2.72 109.492 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -48.11 81.09 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.384 -0.822 . . . . 2.21 109.394 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 6.1 tpp180 -61.74 -42.4 98.92 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.406 -0.809 . . . . 2.79 109.799 -179.896 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.662 ' HD1' HD12 ' B' ' 332' ' ' ILE . 50.6 t80 -54.71 -49.02 71.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.257 -0.902 . . . . 0.45 109.484 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.15 -38.04 56.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.433 -0.792 . . . . 1.68 109.836 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.0 -47.03 86.59 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.355 -0.84 . . . . 0.43 110.212 -179.536 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.54 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.78 -49.24 78.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.28 109.124 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -38.8 56.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.384 -0.823 . . . . 2.52 109.536 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -52.46 65.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 110.09 -179.54 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' A' ' 344' ' ' LEU . 36.0 mt -59.53 -33.61 71.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.992 . . . . 0.31 108.987 -179.828 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.1 t-20 -60.11 -54.08 50.18 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.549 -0.719 . . . . 1.21 109.805 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -62.76 -32.99 74.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 1.69 110.279 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.4 -53.36 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.126 -0.984 . . . . 0.27 109.953 -179.624 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.784 HD22 HH12 ' D' ' 337' ' ' ARG . 51.8 mt -60.74 -43.07 98.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.3 109.715 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.77 -35.79 77.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 1.93 109.642 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -65.45 -46.45 79.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.4 109.529 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -37.83 84.63 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.308 -0.87 . . . . 1.59 109.049 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -57.31 -33.78 68.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.562 -0.712 . . . . 1.43 109.691 179.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -48.69 68.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.3 -0.875 . . . . 0.65 109.472 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -81.56 -0.72 43.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.412 -0.805 . . . . 1.19 109.732 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.93 71.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.156 -0.965 . . . . 1.22 109.689 -179.827 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -16.34 64.46 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.614 -1.394 . . . . 1.53 109.614 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.55 -89.93 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.194 -1.18 . . . . 4.21 109.288 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -48.92 109.15 1.11 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.893 . . . . 5.68 109.397 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -60.68 -81.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.961 1.774 . . . . 5.57 110.165 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.985 -1.453 . . . . 7.2 109.628 -179.988 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 8.3 mttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.254 -0.647 . . . . 8.96 109.254 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 1.1 mmmt 61.93 -118.07 0.65 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 8.15 109.469 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.545 ' CB ' ' HD3' ' C' ' 322' ' ' PRO . 3.3 mttt -79.85 -55.67 0.81 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.834 -1.166 . . . . 7.15 110.042 -179.817 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' C' ' 321' ' ' LYS . 2.1 Cg_endo -63.07 114.82 2.61 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.752 1.635 . . . . 4.35 110.297 -179.881 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' C' ' 323' ' ' LEU . 34.9 mt -81.01 130.15 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 4.63 109.309 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.23 -152.09 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 2.85 109.565 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 168.46 42.54 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.465 -1.454 . . . . 1.12 109.465 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.34 139.28 53.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.076 -1.249 . . . . 2.11 109.337 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.81 160.19 14.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.243 -0.911 . . . . 0.64 109.617 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 83.2 m-85 -138.8 -168.68 2.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.49 109.359 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.6 p -154.08 160.48 41.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.47 109.585 -179.84 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.3 tp -149.33 130.17 14.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.294 -0.879 . . . . 0.42 109.392 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.75 33.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 1.81 109.517 -179.898 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' C' ' 338' ' ' PHE . 47.6 mt -123.99 117.31 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.42 109.333 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 144.49 47.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 2.35 109.367 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.01 136.27 7.21 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 0.41 109.603 -179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 68.9 ttt180 -81.27 -47.61 13.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -1.177 . . . . 2.59 109.486 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -47.84 82.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.924 . . . . 2.54 109.498 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.818 ' NH1' HD22 ' A' ' 348' ' ' LEU . 5.9 tpp180 -62.03 -42.38 99.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.269 -0.894 . . . . 3.39 109.635 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.642 ' HD1' HD12 ' C' ' 332' ' ' ILE . 50.9 t80 -54.58 -48.91 71.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.262 -0.898 . . . . 0.47 109.571 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -52.23 -38.18 57.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 1.66 109.823 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.02 -46.8 87.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.21 -0.931 . . . . 0.61 110.185 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.547 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.0 m-85 -60.8 -49.23 78.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.33 109.163 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -38.81 56.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.473 -0.767 . . . . 3.28 109.605 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -52.14 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 1.78 110.155 -179.566 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 344' ' ' LEU . 34.9 mt -59.85 -33.56 71.95 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.115 -0.991 . . . . 0.38 108.915 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.04 -54.03 50.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.516 -0.74 . . . . 1.2 109.781 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.84 -32.97 74.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.372 -0.83 . . . . 2.12 110.31 -179.42 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.47 -53.28 58.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.06 -1.025 . . . . 0.26 109.951 -179.615 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 52.8 mt -60.83 -43.24 98.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.244 -0.91 . . . . 0.4 109.65 -179.583 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.67 -35.54 76.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 2.09 109.63 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -65.66 -46.51 78.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.75 109.503 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -37.78 84.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.436 -0.79 . . . . 2.19 108.996 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.49 -33.8 68.4 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.438 -0.789 . . . . 1.34 109.576 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -48.87 68.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.72 109.378 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.429 ' OE1' HD11 ' D' ' 350' ' ' LEU . 87.6 mt-30 -81.48 -0.69 42.94 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.418 -0.801 . . . . 1.8 109.772 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.69 -41.94 71.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 1.39 109.822 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 -16.21 64.48 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.521 -1.432 . . . . 1.66 109.521 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.57 -90.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -1.184 . . . . 4.45 109.343 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -48.88 109.0 1.06 Allowed Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 6.19 109.418 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.69 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 121.896 1.731 . . . . 5.58 110.27 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 118.024 -1.431 . . . . 6.9 109.581 179.919 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 8.2 mttm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.405 -0.591 . . . . 7.36 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 1.1 mmmt 61.79 -118.28 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.169 -0.957 . . . . 7.15 109.423 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.543 ' CB ' ' HD3' ' D' ' 322' ' ' PRO . 3.3 mttt -79.79 -55.65 0.82 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.801 -1.187 . . . . 6.5 110.043 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' D' ' 321' ' ' LYS . 2.1 Cg_endo -62.99 114.88 2.63 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.718 1.612 . . . . 4.5 110.227 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' D' ' 323' ' ' LEU . 34.6 mt -80.99 130.03 34.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 4.32 109.368 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.2 -152.08 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 2.46 109.552 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 168.32 42.61 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.465 -1.454 . . . . 0.97 109.465 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.29 139.11 53.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.198 -1.178 . . . . 1.67 109.315 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -94.69 160.2 14.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.193 -0.942 . . . . 0.61 109.684 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.0 m-85 -138.88 -168.88 2.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.359 -0.838 . . . . 0.56 109.428 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.85 160.69 42.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.43 109.554 -179.801 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.5 130.23 14.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.883 . . . . 0.35 109.303 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.67 33.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.24 -0.912 . . . . 1.37 109.609 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.65 HD12 ' HD1' ' D' ' 338' ' ' PHE . 47.9 mt -124.09 117.47 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -0.91 . . . . 0.48 109.264 179.891 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 144.35 47.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.923 . . . . 2.08 109.4 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.21 136.34 7.34 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.616 -1.394 . . . . 0.4 109.616 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 68.8 ttt180 -81.42 -47.56 13.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -1.153 . . . . 2.64 109.437 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.383 -0.823 . . . . 2.22 109.446 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.784 HH12 HD22 ' B' ' 348' ' ' LEU . 6.0 tpp180 -61.69 -42.42 98.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.446 -0.784 . . . . 2.74 109.772 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.65 ' HD1' HD12 ' D' ' 332' ' ' ILE . 50.5 t80 -54.64 -49.07 71.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.286 -0.884 . . . . 0.43 109.453 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.16 -38.22 56.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 1.69 109.815 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -61.93 -46.85 87.52 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.194 -0.941 . . . . 0.43 110.15 -179.489 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.8 -49.27 78.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 0.27 109.221 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -38.77 56.55 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.431 -0.793 . . . . 2.45 109.585 179.749 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -52.21 66.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.75 110.114 -179.525 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' C' ' 344' ' ' LEU . 36.2 mt -59.76 -33.55 71.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.09 -1.006 . . . . 0.31 108.939 -179.825 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.448 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.1 t-20 -60.07 -54.07 50.3 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.512 -0.742 . . . . 1.22 109.775 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -62.81 -32.95 74.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.509 -0.744 . . . . 1.73 110.249 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.36 -53.34 57.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.28 110.023 -179.668 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 52.6 mt -60.87 -43.03 98.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.31 109.661 -179.537 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.7 -35.75 77.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -0.94 . . . . 1.91 109.653 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.713 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.37 -46.52 79.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.43 109.557 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.37 -37.67 84.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.83 . . . . 1.57 108.942 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.41 -33.81 68.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.547 -0.72 . . . . 1.44 109.744 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.75 68.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 0.64 109.534 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -81.52 -0.53 42.4 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -0.824 . . . . 1.21 109.763 -179.874 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.93 70.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.1 -1.0 . . . . 1.22 109.814 -179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -16.09 64.72 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.562 -1.415 . . . . 1.5 109.562 -179.89 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -89.74 -90.18 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.201 -1.176 . . . . 4.18 109.3 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -48.74 109.05 1.06 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 5.67 109.493 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.72 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 121.892 1.728 . . . . 5.65 110.222 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.513 -1.435 . . . . 7.27 109.513 179.965 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.278 0.561 . . . . 7.33 109.507 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.94 22.6 13.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.342 -0.849 . . . . 7.21 109.803 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 324' ' ' ASP . 15.8 mttt 59.34 73.54 0.67 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 6.47 109.581 179.701 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.52 -84.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.155 1.903 . . . . 4.53 110.731 -179.687 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.47 30.26 0.64 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 4.35 110.329 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.445 ' CB ' ' HB3' ' A' ' 321' ' ' LYS . 0.9 OUTLIER -79.23 -123.38 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.236 -0.915 . . . . 2.48 109.28 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 135.12 27.91 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.558 -1.417 . . . . 0.98 109.558 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.53 140.56 58.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.525 -0.985 . . . . 1.7 109.732 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.78 146.99 23.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 0.61 109.099 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.9 m-85 -140.41 -169.97 2.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.158 -0.964 . . . . 0.58 109.804 -179.718 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.9 p -153.15 165.04 36.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.42 109.417 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' C' ' 345' ' ' ASN . 13.4 tp -149.89 133.39 16.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.36 109.576 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.1 130.7 34.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.37 109.39 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.7 mt -123.95 118.99 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.106 -0.997 . . . . 0.47 109.667 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.82 151.67 40.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 2.1 109.57 179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.78 138.53 7.06 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.841 -1.303 . . . . 0.42 109.841 179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 6.3 ttt180 -82.59 -58.02 3.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -1.127 . . . . 2.68 109.473 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -43.01 87.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.203 -0.936 . . . . 2.22 109.256 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -41.82 97.71 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.241 -0.912 . . . . 2.77 109.342 179.846 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.5 t80 -54.82 -57.14 12.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.45 -0.781 . . . . 0.43 109.527 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.01 -30.78 16.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 1.66 109.685 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.44 -50.85 68.12 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.105 -0.997 . . . . 0.44 109.863 -179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.553 ' HB2' HD13 ' A' ' 332' ' ' ILE . 23.5 m-85 -61.44 -50.55 72.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 0.29 109.175 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -51.08 -36.3 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.852 . . . . 2.44 109.204 179.59 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.38 -49.43 77.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 1.74 109.707 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 344' ' ' LEU . 60.0 mt -61.28 -33.7 73.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -0.895 . . . . 0.3 108.881 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.505 ' HB2' HD21 ' C' ' 330' ' ' LEU . 17.3 t-20 -59.0 -55.08 39.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.465 -0.772 . . . . 1.22 109.414 179.477 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.94 -27.36 69.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 1.72 109.856 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -57.43 12.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 0.27 110.123 -179.517 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.7 -40.93 94.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.29 109.579 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 18.9 mt-10 -59.41 -36.45 75.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.91 109.425 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' B' ' 351' ' ' LYS . 11.2 tp -64.95 -40.14 94.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.41 109.382 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.84 -50.86 70.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.433 -0.792 . . . . 1.56 109.067 179.781 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.32 -31.07 63.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.595 -0.691 . . . . 1.43 109.745 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.85 89.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 0.66 109.827 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' B' ' 350' ' ' LEU . 12.0 mt-30 -81.26 -4.61 56.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.18 109.748 -179.793 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.63 44.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.078 -1.014 . . . . 1.23 109.333 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.2 4.65 75.64 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.853 -1.299 . . . . 1.54 109.853 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 354' ' ' GLN . 21.5 mttt -86.08 114.44 22.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -1.197 . . . . 4.18 109.372 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.9 OUTLIER -50.77 158.29 1.16 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 5.71 109.546 -179.865 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 3.1 Cg_exo -61.03 143.65 99.27 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.179 1.919 . . . . 5.61 110.272 179.848 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.458 -1.457 . . . . 7.24 109.458 -179.988 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.32 0.581 . . . . 7.34 109.555 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 22.63 13.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 7.17 109.796 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' B' ' 324' ' ' ASP . 15.8 mttt 59.28 73.52 0.68 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.23 -0.918 . . . . 6.44 109.582 179.711 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.44 -84.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.23 1.953 . . . . 4.54 110.742 -179.763 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.33 30.17 0.63 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.039 -1.038 . . . . 4.32 110.403 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' B' ' 321' ' ' LYS . 0.9 OUTLIER -79.16 -123.6 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.274 -0.891 . . . . 2.47 109.2 -179.958 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 135.08 28.44 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.519 -1.432 . . . . 0.95 109.519 -179.869 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.63 140.42 58.15 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.564 -0.963 . . . . 1.61 109.672 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -94.76 147.02 23.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.57 109.042 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -140.37 -169.94 2.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.125 -0.984 . . . . 0.53 109.81 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.7 p -153.25 165.07 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.38 109.403 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' D' ' 345' ' ' ASN . 13.4 tp -149.83 133.61 16.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.64 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 130.66 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.856 . . . . 1.36 109.38 179.754 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.0 mt -124.0 119.03 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.166 -0.959 . . . . 0.49 109.592 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.76 151.7 40.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 2.1 109.546 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 138.61 7.08 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.819 -1.312 . . . . 0.44 109.819 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 6.3 ttt180 -82.69 -58.05 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -1.116 . . . . 2.72 109.34 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.23 -43.01 87.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.899 . . . . 2.21 109.246 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -41.81 97.77 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 2.79 109.226 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.6 t80 -54.79 -57.16 12.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.487 -0.758 . . . . 0.45 109.468 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.07 -30.72 16.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 1.68 109.662 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.51 -50.87 67.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.249 -0.907 . . . . 0.43 109.847 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.55 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.5 m-85 -61.46 -50.41 72.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.189 -0.945 . . . . 0.28 109.155 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.489 ' NH1' ' HG2' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -51.19 -36.31 40.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 2.52 109.265 179.576 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.38 -49.44 77.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.255 -0.903 . . . . 1.75 109.668 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 344' ' ' LEU . 59.5 mt -61.14 -33.76 73.92 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.31 108.908 179.775 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 17.4 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.477 -0.764 . . . . 1.21 109.269 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.83 -27.4 69.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 1.69 109.841 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.08 -57.33 12.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.27 110.129 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.81 -40.91 94.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.3 109.613 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 349' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 18.8 mt-10 -59.41 -36.27 75.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.216 -0.927 . . . . 1.93 109.526 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' A' ' 354' ' ' GLN . 11.2 tp -65.03 -40.09 94.33 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.4 109.349 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.01 -50.7 70.99 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.452 -0.78 . . . . 1.59 109.001 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.49 -30.97 63.59 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.661 -0.649 . . . . 1.43 109.689 179.84 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.892 . . . . 0.65 109.824 -179.585 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.412 ' OE1' HD21 ' A' ' 350' ' ' LEU . 12.1 mt-30 -81.23 -4.63 56.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.173 -0.954 . . . . 1.19 109.734 -179.844 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.74 -49.74 43.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.087 -1.008 . . . . 1.22 109.313 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.13 4.61 75.46 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.818 -1.313 . . . . 1.53 109.818 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' B' ' 354' ' ' GLN . 21.6 mttt -86.03 114.32 22.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -1.181 . . . . 4.21 109.397 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 0.9 OUTLIER -50.71 158.3 1.14 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.361 -0.837 . . . . 5.68 109.624 -179.887 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -61.08 143.62 99.07 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.172 1.915 . . . . 5.57 110.299 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 117.936 -1.48 . . . . 7.2 109.498 179.993 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.8 tttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.3 0.571 . . . . 8.96 109.504 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.86 22.55 13.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 8.15 109.82 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' C' ' 324' ' ' ASP . 15.8 mttt 59.39 73.47 0.68 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.173 -0.954 . . . . 7.15 109.625 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.45 -84.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.242 1.961 . . . . 4.35 110.746 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.41 30.16 0.64 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.106 -0.996 . . . . 4.63 110.374 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.447 ' CB ' ' HB3' ' C' ' 321' ' ' LYS . 0.9 OUTLIER -79.16 -123.43 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.262 -0.899 . . . . 2.85 109.267 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.81 134.91 28.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.613 -1.395 . . . . 1.12 109.613 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.39 140.49 58.02 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.497 -1.002 . . . . 2.11 109.752 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.87 147.13 23.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 0.64 109.024 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.3 m-85 -140.47 -169.98 2.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.49 109.867 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.7 p -153.2 165.03 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.291 -0.881 . . . . 0.47 109.46 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.4 tp -149.81 133.54 16.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.146 -0.972 . . . . 0.42 109.613 -179.593 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.36 130.69 34.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 1.81 109.33 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.9 mt -123.96 118.94 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.63 151.74 40.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 2.35 109.565 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.73 138.57 7.05 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 6.3 ttt180 -82.71 -58.01 3.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -1.107 . . . . 2.59 109.401 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 -42.93 87.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.54 109.204 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -41.76 97.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.326 -0.859 . . . . 3.39 109.292 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' C' ' 332' ' ' ILE . 34.6 t80 -54.83 -57.19 12.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.784 . . . . 0.47 109.479 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.14 -30.65 17.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.66 109.689 -179.802 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.48 -50.84 68.08 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.162 -0.961 . . . . 0.61 109.865 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.4 -50.47 72.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.33 109.207 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.467 ' HG2' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -51.15 -36.25 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 3.28 109.303 179.542 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.52 -49.25 78.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.881 . . . . 1.78 109.644 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' D' ' 344' ' ' LEU . 59.4 mt -61.38 -33.62 73.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.38 108.876 179.763 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.493 ' HB2' HD21 ' A' ' 330' ' ' LEU . 17.4 t-20 -59.09 -55.1 39.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.442 -0.786 . . . . 1.2 109.36 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.92 -27.44 69.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.448 -0.783 . . . . 2.12 109.833 -179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.99 -57.32 13.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 0.26 110.198 -179.56 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.81 -40.84 94.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.111 -0.993 . . . . 0.4 109.643 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 18.8 mt-10 -59.45 -36.41 75.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 2.09 109.433 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.97 -40.16 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.795 . . . . 0.75 109.307 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -50.66 71.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.448 -0.783 . . . . 2.19 109.082 179.789 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.54 -30.89 63.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.639 -0.663 . . . . 1.34 109.777 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 0.72 109.854 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' D' ' 350' ' ' LEU . 12.0 mt-30 -81.26 -4.62 56.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.8 109.76 -179.806 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.65 44.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.133 -0.979 . . . . 1.39 109.327 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.28 4.71 75.82 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.822 -1.311 . . . . 1.66 109.822 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -85.94 114.35 22.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.169 -1.195 . . . . 4.45 109.422 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 0.9 OUTLIER -50.69 158.26 1.14 Allowed Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 6.19 109.674 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.01 143.58 99.34 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.148 1.899 . . . . 5.58 110.28 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.914 -1.492 . . . . 6.9 109.589 179.933 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.252 0.549 . . . . 7.36 109.576 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.89 22.65 13.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.896 . . . . 7.15 109.831 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' D' ' 324' ' ' ASP . 15.8 mttt 59.32 73.51 0.67 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.145 -0.972 . . . . 6.5 109.564 179.678 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.5 -84.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.215 1.943 . . . . 4.5 110.727 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.44 30.31 0.63 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.04 -1.038 . . . . 4.32 110.332 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' D' ' 321' ' ' LYS . 0.9 OUTLIER -79.23 -123.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.25 -0.906 . . . . 2.46 109.214 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 135.08 27.96 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.563 -1.415 . . . . 0.97 109.563 -179.82 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.6 140.59 58.12 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.606 -0.938 . . . . 1.67 109.681 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -94.86 147.05 23.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.905 . . . . 0.61 109.092 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.0 m-85 -140.39 -169.96 2.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.055 -1.028 . . . . 0.56 109.789 -179.623 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.8 p -153.24 164.88 37.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.43 109.391 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.4 tp -149.77 133.6 16.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.35 109.627 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.26 130.64 34.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.28 -0.888 . . . . 1.37 109.333 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.556 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.1 mt -124.06 118.89 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.97 . . . . 0.48 109.652 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.66 151.7 40.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 2.08 109.582 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.41 7.04 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.72 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 6.3 ttt180 -82.64 -57.99 3.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -1.053 . . . . 2.64 109.417 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -42.91 87.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.22 109.268 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.77 97.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.335 -0.853 . . . . 2.74 109.337 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' HD1' HD12 ' D' ' 332' ' ' ILE . 34.6 t80 -54.75 -57.12 12.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.524 -0.735 . . . . 0.43 109.57 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.12 -30.66 16.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 1.69 109.668 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.59 -51.0 67.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.149 -0.969 . . . . 0.43 109.681 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.556 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.39 -50.46 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.27 109.202 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.477 ' NH1' ' HG2' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -51.05 -36.38 39.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.443 -0.786 . . . . 2.45 109.308 179.495 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.3 -49.47 77.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 1.75 109.718 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' C' ' 344' ' ' LEU . 59.8 mt -61.21 -33.84 74.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.262 -0.899 . . . . 0.31 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.529 ' HB2' HD21 ' B' ' 330' ' ' LEU . 17.3 t-20 -58.85 -55.23 37.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.539 -0.726 . . . . 1.22 109.367 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.86 -27.4 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 1.73 109.83 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.02 -57.45 12.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.28 110.116 -179.475 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.73 -40.89 94.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.31 109.659 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 18.9 mt-10 -59.34 -36.42 75.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.14 -0.975 . . . . 1.91 109.548 179.833 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' C' ' 354' ' ' GLN . 11.2 tp -64.99 -40.15 94.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.315 -0.866 . . . . 0.43 109.335 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.77 70.94 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.442 -0.786 . . . . 1.57 109.08 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.742 -0.599 . . . . 1.44 109.69 179.819 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.67 89.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 0.64 109.822 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.406 ' HA ' ' HB2' ' D' ' 357' ' ' LYS . 12.0 mt-30 -81.26 -4.68 56.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.15 -0.969 . . . . 1.21 109.689 -179.827 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.73 43.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.094 -1.004 . . . . 1.22 109.319 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.09 4.53 75.65 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.87 -1.292 . . . . 1.5 109.87 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' D' ' 354' ' ' GLN . 21.5 mttt -85.94 114.33 22.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.129 -1.218 . . . . 4.18 109.406 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 0.9 OUTLIER -50.78 158.3 1.15 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.255 -0.903 . . . . 5.67 109.655 -179.902 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 3.2 Cg_exo -61.05 143.61 99.16 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.098 1.865 . . . . 5.65 110.309 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.02 -1.433 . . . . 7.27 109.561 179.959 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.345 -0.613 . . . . 7.33 109.345 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.87 153.27 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 7.21 109.452 -179.885 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 25.2 tttt 60.91 61.08 3.2 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 6.47 109.761 179.872 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.1 Cg_exo -60.96 177.47 0.68 Allowed 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.182 1.921 . . . . 4.53 109.971 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 73.8 mt -80.51 91.28 5.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 4.35 109.582 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -83.2 -179.0 7.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.497 -0.752 . . . . 2.48 109.367 179.615 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.4 165.88 49.12 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.538 . . . . 0.98 109.254 179.547 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -58.58 132.77 54.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 1.7 109.508 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' CB ' ' A' ' 324' ' ' ASP . 11.9 m-85 -94.51 155.89 16.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.61 109.509 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.5 m-85 -140.11 -170.39 2.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.58 109.679 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.0 p -153.89 155.45 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.42 109.388 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -148.98 131.94 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.36 109.445 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.5 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.337 -0.852 . . . . 1.37 109.196 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.0 mt -123.99 116.76 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.47 109.695 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.04 148.68 41.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 2.1 109.612 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.11 8.19 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.704 -1.359 . . . . 0.42 109.704 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.0 ttt-85 -77.63 -56.06 4.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.35 -1.088 . . . . 2.68 109.384 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.21 88.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 2.22 109.423 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.62 -45.42 92.0 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.312 -0.868 . . . . 2.77 109.686 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.57 ' HD1' HD12 ' A' ' 332' ' ' ILE . 33.6 t80 -54.5 -57.42 11.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.347 -0.845 . . . . 0.43 109.429 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.31 -36.71 43.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 1.66 109.96 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.91 -47.59 82.61 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.271 -0.893 . . . . 0.44 110.1 -179.449 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -61.79 -53.93 49.3 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.272 -0.892 . . . . 0.29 109.257 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.3 -37.52 36.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.4 -0.813 . . . . 2.44 109.536 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.74 -45.17 95.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 1.74 109.693 -179.755 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.46 -43.76 98.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.3 109.377 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' C' ' 330' ' ' LEU . 42.4 t-20 -57.26 -46.88 82.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.299 -0.876 . . . . 1.22 109.697 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.0 -35.96 80.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.72 109.736 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.06 -50.01 75.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.263 -0.898 . . . . 0.27 110.129 -179.559 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.97 -42.31 98.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.29 109.674 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.99 -39.47 85.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 1.91 109.906 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.003 HD11 ' NE2' ' B' ' 354' ' ' GLN . 13.3 tp -63.74 -44.47 93.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.41 109.677 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -61.37 -39.28 90.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 1.56 109.137 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.61 -37.08 70.18 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.53 -0.731 . . . . 1.43 109.877 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.75 87.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.855 . . . . 0.66 109.386 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.974 ' NE2' HD11 ' B' ' 350' ' ' LEU . 21.5 mt-30 -81.5 -1.88 47.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.18 109.559 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.74 -87.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 1.23 109.232 179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.46 97.04 1.05 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.209 -1.557 . . . . 1.54 109.209 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -88.11 -90.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -1.175 . . . . 4.18 109.783 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.446 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 3.0 mt-10 -48.82 172.05 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.291 -0.88 . . . . 5.71 109.653 -179.744 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.446 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 1.8 Cg_endo -67.96 -2.63 9.06 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.304 2.003 . . . . 5.61 110.58 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.997 -1.446 . . . . 7.24 109.508 -179.989 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.386 -0.598 . . . . 7.34 109.386 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.84 153.17 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 7.17 109.436 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 25.0 tttt 60.9 61.13 3.2 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.363 -0.836 . . . . 6.44 109.833 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.1 Cg_exo -60.98 177.55 0.67 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.176 1.917 . . . . 4.54 110.019 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 73.0 mt -80.56 91.33 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 4.32 109.607 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -83.23 -178.94 7.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 2.47 109.357 179.683 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.45 165.89 49.24 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.172 -1.571 . . . . 0.95 109.172 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -58.55 132.71 54.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -1.193 . . . . 1.61 109.549 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.441 ' OH ' ' CB ' ' B' ' 324' ' ' ASP . 11.6 m-85 -94.43 155.89 16.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.57 109.513 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 64.3 m-85 -140.22 -170.57 3.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.53 109.659 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 38.9 p -153.81 155.49 35.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.38 109.398 -179.833 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -148.93 131.82 16.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.286 -0.884 . . . . 0.36 109.451 -179.741 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.65 33.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 1.36 109.185 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.603 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.8 mt -123.98 116.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.182 -0.949 . . . . 0.49 109.608 -179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -74.21 148.84 41.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.348 -0.845 . . . . 2.1 109.584 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.21 136.98 8.06 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.834 -1.306 . . . . 0.44 109.834 179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.0 ttt-85 -77.54 -56.07 4.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -1.129 . . . . 2.72 109.418 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.97 88.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.869 . . . . 2.21 109.481 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.244 -0.91 . . . . 2.79 109.702 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.567 ' HD1' HD12 ' B' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.39 11.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.45 109.449 -179.891 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -51.3 -36.68 43.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.68 109.975 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.178 -0.951 . . . . 0.43 110.092 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.5 m-85 -61.8 -53.84 50.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 0.28 109.264 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.34 -37.49 37.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.358 -0.839 . . . . 2.52 109.611 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.59 -45.28 94.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 1.75 109.704 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.31 109.433 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' D' ' 330' ' ' LEU . 42.4 t-20 -57.31 -46.94 82.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.21 109.605 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.85 -36.1 80.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.69 109.714 -179.859 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.02 -50.1 75.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.378 -0.826 . . . . 0.27 110.12 -179.525 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.93 -42.25 97.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.3 109.724 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.91 -39.66 86.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.93 109.767 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.974 HD11 ' NE2' ' A' ' 354' ' ' GLN . 13.3 tp -63.69 -44.48 93.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.4 109.673 -179.676 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.42 -39.15 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.426 -0.796 . . . . 1.59 109.106 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.67 -37.13 70.41 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.571 -0.706 . . . . 1.43 109.782 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.81 87.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.65 109.405 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 1.003 ' NE2' HD11 ' A' ' 350' ' ' LEU . 21.5 mt-30 -81.44 -1.93 47.65 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -0.844 . . . . 1.19 109.566 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.7 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.274 -0.891 . . . . 1.22 109.292 179.818 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.42 97.09 1.05 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.256 -1.538 . . . . 1.53 109.256 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.23 -90.68 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.133 -1.216 . . . . 4.21 109.769 -179.729 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.451 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 3.0 mt-10 -48.83 171.94 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 5.68 109.607 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 1.8 Cg_endo -67.9 -2.58 8.93 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.275 1.983 . . . . 5.57 110.603 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.932 -1.482 . . . . 7.2 109.502 179.959 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.439 -0.578 . . . . 8.96 109.439 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.79 153.16 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 8.15 109.42 -179.889 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.494 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 24.9 tttt 61.02 61.14 3.1 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 7.15 109.772 179.914 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.1 Cg_exo -61.04 177.59 0.68 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.197 1.931 . . . . 4.35 109.9 179.723 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 72.6 mt -80.51 91.19 5.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.018 . . . . 4.63 109.587 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' C' ' 327' ' ' TYR . 0.9 OUTLIER -83.13 -178.92 7.27 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.452 -0.78 . . . . 2.85 109.404 179.586 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.49 165.9 49.31 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.226 -1.55 . . . . 1.12 109.226 179.564 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -58.67 132.79 54.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.237 . . . . 2.11 109.479 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' CB ' ' C' ' 324' ' ' ASP . 11.7 m-85 -94.52 155.92 16.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.64 109.577 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.4 m-85 -140.2 -170.53 2.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.958 . . . . 0.49 109.646 -179.895 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 38.5 p -153.82 155.44 35.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.47 109.367 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -148.9 131.89 16.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.42 109.494 -179.809 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.71 33.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -0.882 . . . . 1.81 109.134 179.809 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.611 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.4 mt -124.02 116.73 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.42 109.742 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.06 148.65 41.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 2.35 109.572 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.07 8.17 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.716 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt-85 -77.59 -56.23 4.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.26 -1.141 . . . . 2.59 109.365 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.09 87.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 2.54 109.472 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.84 -45.3 92.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.393 -0.817 . . . . 3.39 109.631 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.557 ' HD1' HD12 ' C' ' 332' ' ' ILE . 33.7 t80 -54.55 -57.43 11.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.47 109.474 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.16 -36.74 42.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.66 109.99 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.97 -47.58 82.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.252 -0.905 . . . . 0.61 110.033 -179.341 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.611 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.4 m-85 -61.94 -53.82 50.41 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.187 -0.945 . . . . 0.33 109.248 -179.865 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -50.3 -37.49 36.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.314 -0.866 . . . . 3.28 109.587 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.73 -45.13 95.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.107 -0.995 . . . . 1.78 109.696 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.68 -43.53 98.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.38 109.351 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 330' ' ' LEU . 42.5 t-20 -57.35 -46.93 82.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 1.2 109.573 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -36.12 80.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.354 -0.841 . . . . 2.12 109.803 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.99 -50.07 75.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.26 110.128 -179.571 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.9 -42.34 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.4 109.652 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.92 -39.6 86.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.29 -0.881 . . . . 2.09 109.841 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.944 HD11 ' NE2' ' D' ' 354' ' ' GLN . 13.3 tp -63.66 -44.49 93.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.75 109.714 -179.715 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.38 -39.17 89.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.362 -0.837 . . . . 2.19 109.177 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.66 -37.05 70.28 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.546 -0.721 . . . . 1.34 109.864 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.86 87.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.72 109.479 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.916 ' NE2' HD11 ' D' ' 350' ' ' LEU . 21.7 mt-30 -81.45 -1.89 47.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.331 -0.856 . . . . 1.8 109.597 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.69 -87.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.156 -0.965 . . . . 1.39 109.32 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.43 96.94 1.04 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.355 -1.498 . . . . 1.66 109.355 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.03 -90.73 0.12 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -1.166 . . . . 4.45 109.844 -179.709 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.458 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 3.0 mt-10 -48.71 171.95 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 6.19 109.633 -179.846 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 1.8 Cg_endo -67.88 -2.66 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.282 1.988 . . . . 5.58 110.609 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.997 -1.446 . . . . 6.9 109.504 179.985 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 20.2 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.414 -0.588 . . . . 7.36 109.414 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 153.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 7.15 109.462 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.496 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 24.9 tttt 60.94 61.04 3.19 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 6.5 109.79 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -61.0 177.56 0.67 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.202 1.935 . . . . 4.5 110.01 179.732 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.57 91.25 5.78 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 4.32 109.663 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.447 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 0.9 OUTLIER -83.1 -179.1 7.33 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.506 -0.746 . . . . 2.46 109.444 179.651 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.38 165.89 49.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.27 -1.532 . . . . 0.97 109.27 179.525 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -58.63 132.81 54.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -1.203 . . . . 1.67 109.438 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.447 ' OH ' ' CB ' ' D' ' 324' ' ' ASP . 11.8 m-85 -94.57 155.96 16.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.61 109.501 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.6 m-85 -140.23 -170.51 2.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -0.945 . . . . 0.56 109.637 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.0 p -153.81 155.41 35.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 0.43 109.369 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -148.92 131.9 16.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.35 109.484 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 31.7 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 1.37 109.13 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.3 mt -123.98 116.72 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.48 109.709 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -74.0 148.76 41.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.347 -0.846 . . . . 2.08 109.564 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.33 136.96 8.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.76 -1.336 . . . . 0.4 109.76 179.668 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 2.0 ttt-85 -77.54 -56.12 4.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.228 -1.16 . . . . 2.64 109.412 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -43.04 88.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.35 -0.844 . . . . 2.22 109.42 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.71 -45.43 92.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.3 -0.875 . . . . 2.74 109.687 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.37 11.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.43 109.486 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.22 -36.83 43.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.317 -0.865 . . . . 1.69 109.95 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.8 -47.7 82.32 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.43 110.104 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.617 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -61.74 -53.91 49.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.27 109.178 -179.866 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.39 -37.45 37.65 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.433 -0.792 . . . . 2.45 109.546 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.64 -45.25 94.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.22 -0.925 . . . . 1.75 109.632 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.63 -43.54 98.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.167 -0.958 . . . . 0.31 109.42 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.4 ' HB2' HD21 ' B' ' 330' ' ' LEU . 42.3 t-20 -57.3 -46.96 82.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.22 109.668 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.86 -36.02 79.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 1.73 109.813 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.06 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 0.28 110.112 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.92 -42.42 98.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.31 109.676 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -59.94 -39.57 85.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 1.91 109.85 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.916 HD11 ' NE2' ' C' ' 354' ' ' GLN . 13.3 tp -63.6 -44.49 93.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.43 109.712 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.47 -39.2 90.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.339 -0.851 . . . . 1.57 109.096 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.58 -37.12 70.17 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.471 -0.768 . . . . 1.44 109.866 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.82 87.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.64 109.342 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.944 ' NE2' HD11 ' C' ' 350' ' ' LEU . 21.7 mt-30 -81.43 -1.91 47.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.347 -0.846 . . . . 1.21 109.637 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.74 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.22 109.242 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.46 96.97 1.05 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.374 -1.49 . . . . 1.5 109.374 179.689 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.04 -90.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -1.164 . . . . 4.18 109.842 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.459 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 3.0 mt-10 -48.77 172.04 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.257 -0.902 . . . . 5.67 109.642 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -67.94 -2.64 9.07 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.317 2.011 . . . . 5.65 110.556 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.914 -1.492 . . . . 7.27 109.493 179.988 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.452 -0.573 . . . . 7.33 109.452 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.67 28.9 17.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.186 -0.946 . . . . 7.21 109.391 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 59.52 71.52 0.91 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.904 . . . . 6.47 109.28 -179.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.89 125.9 18.31 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.205 1.937 . . . . 4.53 110.442 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.5 mt -84.85 44.04 1.04 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.941 . . . . 4.35 109.785 179.685 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.15 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.487 -0.758 . . . . 2.48 109.527 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 160.43 49.47 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.539 -1.424 . . . . 0.98 109.539 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.3 143.62 44.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -1.154 . . . . 1.7 109.622 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.4 m-85 -93.55 155.37 17.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.61 109.401 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.0 m-85 -139.26 -170.13 2.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.58 109.572 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.5 p -153.52 160.72 42.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.271 -0.893 . . . . 0.42 109.561 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -149.12 133.18 17.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.272 -0.893 . . . . 0.36 109.432 -179.79 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -85.88 130.87 34.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.253 -0.905 . . . . 1.37 109.647 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 341' ' ' PHE . 58.6 mt -123.93 120.44 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.47 109.488 179.77 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.57 152.95 40.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 2.1 109.525 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.14 137.02 3.86 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.802 -1.319 . . . . 0.42 109.802 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttp180 -82.98 -52.07 7.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -1.118 . . . . 2.68 109.407 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.13 -46.75 85.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 2.22 109.241 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.67 -40.06 90.7 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.327 -0.858 . . . . 2.77 109.325 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' C' ' 329' ' ' THR . 55.8 t80 -55.38 -54.95 37.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.395 -0.815 . . . . 0.43 109.658 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.4 -36.02 30.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.331 -0.856 . . . . 1.66 109.971 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -62.7 -47.86 81.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.158 -0.964 . . . . 0.44 109.928 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.359 -0.838 . . . . 0.29 109.306 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.34 -36.75 44.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.875 . . . . 2.44 109.639 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.17 -50.01 75.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.045 -1.034 . . . . 1.74 109.712 -179.687 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' B' ' 344' ' ' LEU . 55.6 mt -61.07 -34.22 74.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.3 108.849 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.595 ' HB2' HD21 ' C' ' 330' ' ' LEU . 52.2 t30 -59.24 -55.09 39.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.441 -0.787 . . . . 1.22 109.559 179.596 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.13 -28.24 69.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.785 . . . . 1.72 109.807 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.77 -52.53 65.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.136 -0.978 . . . . 0.27 110.1 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.09 -41.23 96.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.249 -0.907 . . . . 0.29 109.639 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.44 -36.94 76.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 1.91 109.538 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.62 HD23 HD23 ' B' ' 350' ' ' LEU . 4.8 tp -64.35 -45.08 89.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.284 -0.885 . . . . 0.41 109.718 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.8 -38.86 89.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.247 -0.908 . . . . 1.56 109.136 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.1 -34.41 65.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 1.43 109.621 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.68 70.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.347 -0.846 . . . . 0.66 109.589 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.604 HE21 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -81.26 2.0 29.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.18 109.783 -179.876 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.03 -81.32 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.082 -1.011 . . . . 1.23 109.266 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 39.39 3.01 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.735 -1.346 . . . . 1.54 109.735 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -87.4 111.12 20.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -1.181 . . . . 4.18 109.395 179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 138.86 19.59 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 5.71 109.575 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.45 -160.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.075 1.85 . . . . 5.61 110.158 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.981 -1.455 . . . . 7.24 109.595 179.953 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.442 -0.577 . . . . 7.34 109.442 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.82 28.77 17.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.203 -0.936 . . . . 7.17 109.37 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 59.61 71.52 0.9 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 6.44 109.304 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.0 125.97 18.4 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.26 1.973 . . . . 4.54 110.456 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.94 44.04 1.04 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 4.32 109.729 179.824 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.424 ' HB3' ' NH1' ' D' ' 333' ' ' ARG . 2.1 m-20 -79.21 -145.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.302 -0.874 . . . . 2.47 109.497 -179.812 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.08 160.51 48.54 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.556 -1.417 . . . . 0.95 109.556 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.46 143.7 44.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -1.085 . . . . 1.61 109.632 -179.891 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.7 m-85 -93.54 155.4 17.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 0.57 109.337 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -139.24 -170.03 2.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.53 109.579 -179.897 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.483 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.5 p -153.59 160.63 42.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.144 -0.973 . . . . 0.38 109.546 -179.823 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -149.11 133.21 17.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.36 109.408 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 36.3 tt0 -85.9 131.05 34.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 1.36 109.64 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.449 HD13 ' HB2' ' B' ' 341' ' ' PHE . 59.0 mt -124.02 120.46 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.211 -0.931 . . . . 0.49 109.451 179.774 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.66 152.86 40.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.249 -0.907 . . . . 2.1 109.526 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.28 136.95 3.92 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.81 -1.316 . . . . 0.44 109.81 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 18.2 ttp180 -82.96 -52.16 6.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.343 -1.092 . . . . 2.72 109.384 179.852 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.93 -46.94 84.25 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 2.21 109.205 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.52 -40.23 90.71 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.339 -0.851 . . . . 2.79 109.341 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' D' ' 329' ' ' THR . 55.9 t80 -55.29 -54.93 37.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.45 109.721 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.42 -36.03 31.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.813 . . . . 1.68 109.91 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.58 -47.9 81.79 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.122 -0.986 . . . . 0.43 109.977 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.449 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.9 m-85 -61.3 -51.31 69.41 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.159 -0.963 . . . . 0.28 109.254 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.44 -36.76 45.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 2.52 109.599 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.13 -49.97 75.53 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.942 . . . . 1.75 109.752 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 344' ' ' LEU . 55.5 mt -60.99 -34.33 74.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.31 108.919 179.743 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' D' ' 330' ' ' LEU . 52.3 t30 -59.16 -55.16 38.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.427 -0.795 . . . . 1.21 109.519 179.644 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.09 -28.2 69.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 1.69 109.821 -179.716 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.87 -52.47 65.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.27 110.053 -179.651 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.13 -41.14 96.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.84 . . . . 0.3 109.676 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.4 -37.01 76.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.898 . . . . 1.93 109.554 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.62 HD23 HD23 ' A' ' 350' ' ' LEU . 4.8 tp -64.31 -45.08 89.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.429 -0.794 . . . . 0.4 109.78 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.72 -38.9 89.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.333 -0.854 . . . . 1.59 109.178 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.08 -34.49 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.461 -0.775 . . . . 1.43 109.572 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -47.69 70.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.65 109.533 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.503 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.3 OUTLIER -81.22 1.91 30.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 1.19 109.795 -179.874 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 -81.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 1.22 109.248 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 39.35 3.01 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.675 -1.37 . . . . 1.53 109.675 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -87.37 111.07 20.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -1.152 . . . . 4.21 109.427 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.19 138.89 19.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 5.68 109.532 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.44 -160.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.048 1.832 . . . . 5.57 110.221 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.987 -1.452 . . . . 7.2 109.552 179.933 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.8 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.502 -0.555 . . . . 8.96 109.502 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.74 28.82 17.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 8.15 109.34 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 59.44 71.6 0.91 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.217 -0.927 . . . . 7.15 109.33 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.95 126.01 18.55 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.134 1.889 . . . . 4.35 110.489 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.96 44.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.272 -0.893 . . . . 4.63 109.698 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.13 -145.72 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.409 -0.807 . . . . 2.85 109.47 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.25 160.48 48.93 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.495 -1.442 . . . . 1.12 109.495 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.46 143.72 44.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -1.132 . . . . 2.11 109.557 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.4 m-85 -93.61 155.39 17.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.282 -0.887 . . . . 0.64 109.34 179.897 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.3 m-85 -139.23 -170.04 2.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.159 -0.963 . . . . 0.49 109.632 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.8 p -153.56 160.69 42.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.47 109.586 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -149.12 133.16 17.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.42 109.448 -179.748 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -86.01 130.92 34.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.81 109.624 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' C' ' 341' ' ' PHE . 58.2 mt -123.9 120.34 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.42 109.533 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.92 40.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.176 -0.953 . . . . 2.35 109.589 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 136.99 3.84 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.857 -1.297 . . . . 0.41 109.857 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.0 ttp180 -83.0 -51.98 7.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -1.118 . . . . 2.59 109.49 179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.0 -46.78 84.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 2.54 109.324 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.74 -40.13 91.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.327 -0.858 . . . . 3.39 109.338 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 55.9 t80 -55.37 -54.88 38.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.406 -0.808 . . . . 0.47 109.746 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -35.98 30.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.298 -0.876 . . . . 1.66 109.992 -179.717 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.64 -47.82 82.03 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.14 -0.975 . . . . 0.61 109.982 -179.618 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.444 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.38 -51.17 69.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.33 109.301 -179.895 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.5 -36.73 45.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 3.28 109.696 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 1.78 109.734 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' D' ' 344' ' ' LEU . 55.4 mt -60.96 -34.39 74.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.38 108.846 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.575 ' HB2' HD21 ' A' ' 330' ' ' LEU . 52.2 t30 -59.19 -55.08 39.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.432 -0.793 . . . . 1.2 109.521 179.707 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.13 -28.22 69.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 2.12 109.828 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -52.41 65.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.26 110.095 -179.637 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.06 -41.33 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.4 109.645 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.27 -37.06 76.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 2.09 109.53 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.728 HD23 HD23 ' D' ' 350' ' ' LEU . 4.8 tp -64.28 -45.03 89.83 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.343 -0.848 . . . . 0.75 109.769 -179.839 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.78 -38.85 89.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 2.19 109.166 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.1 -34.39 65.97 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.463 -0.773 . . . . 1.34 109.622 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -47.76 69.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.308 -0.87 . . . . 0.72 109.56 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.625 HE21 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -81.23 2.01 29.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 1.8 109.706 -179.819 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.13 -81.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 1.39 109.23 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.69 39.4 3.02 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.676 -1.37 . . . . 1.66 109.676 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -87.45 111.07 20.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.169 -1.195 . . . . 4.45 109.362 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.19 138.92 19.45 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.201 -0.937 . . . . 6.19 109.5 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.45 -161.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.12 1.88 . . . . 5.58 110.187 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.029 -1.428 . . . . 6.9 109.611 179.989 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.5 mttt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.287 0.565 . . . . 7.36 109.522 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.72 28.79 17.76 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 7.15 109.392 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 59.57 71.46 0.92 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 6.5 109.312 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.9 125.9 18.3 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.197 1.931 . . . . 4.5 110.535 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' D' ' 323' ' ' LEU . 22.4 mt -84.9 44.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.255 -0.903 . . . . 4.32 109.678 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.12 -145.66 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.376 -0.827 . . . . 2.46 109.505 -179.825 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.28 160.41 49.04 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.457 -1.457 . . . . 0.97 109.457 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.36 143.67 44.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -1.166 . . . . 1.67 109.581 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 13.2 m-85 -93.69 155.44 17.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.61 109.3 179.858 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 67.0 m-85 -139.29 -170.12 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.018 . . . . 0.56 109.554 -179.747 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.6 p -153.42 160.78 42.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.43 109.618 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -149.22 133.17 17.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.35 109.393 -179.816 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.96 130.98 34.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.311 -0.868 . . . . 1.37 109.666 -179.798 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 58.4 mt -123.99 120.46 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.925 . . . . 0.48 109.472 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' B' ' 324' ' ' ASP . 1.9 ttp180 -73.62 152.91 40.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.215 -0.928 . . . . 2.08 109.601 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.17 137.0 3.87 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 18.1 ttp180 -83.01 -52.16 6.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.345 -1.091 . . . . 2.64 109.315 179.871 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.89 -46.98 84.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 2.22 109.313 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.51 -40.1 90.18 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.409 -0.807 . . . . 2.74 109.462 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.0 t80 -55.33 -54.97 36.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.43 109.731 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -36.06 30.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 1.69 109.91 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.56 -48.03 81.26 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.193 -0.942 . . . . 0.43 109.816 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.23 -51.28 69.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.27 109.31 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.44 -36.66 44.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 2.45 109.736 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.12 -50.1 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 1.75 109.729 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' C' ' 344' ' ' LEU . 55.4 mt -60.89 -34.34 74.5 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.205 -0.935 . . . . 0.31 108.905 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' B' ' 330' ' ' LEU . 52.3 t30 -59.22 -55.18 38.15 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.382 -0.824 . . . . 1.22 109.51 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.95 -28.3 69.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.482 -0.761 . . . . 1.73 109.909 -179.795 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -52.49 65.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.103 -0.998 . . . . 0.28 110.068 -179.592 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.08 -41.22 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.31 109.706 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -37.03 76.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.91 109.454 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.728 HD23 HD23 ' C' ' 350' ' ' LEU . 4.8 tp -64.33 -45.13 89.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.21 -0.932 . . . . 0.43 109.657 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.66 -38.98 89.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 1.57 109.223 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.04 -34.51 65.96 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.414 -0.804 . . . . 1.44 109.545 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.77 70.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.64 109.607 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.446 ' OE1' HD21 ' C' ' 350' ' ' LEU . 0.3 OUTLIER -81.28 2.01 29.93 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 1.21 109.67 -179.808 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.05 -81.31 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.21 -0.931 . . . . 1.22 109.302 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.61 39.41 3.01 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.699 -1.36 . . . . 1.5 109.699 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -87.4 111.1 20.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.099 -1.236 . . . . 4.18 109.347 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.24 138.79 19.88 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 5.67 109.53 -179.912 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.3 -160.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.12 1.88 . . . . 5.65 110.135 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.028 -1.429 . . . . 7.27 109.57 179.883 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 320' ' ' LYS . 3.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.478 -0.564 . . . . 7.33 109.478 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER 59.72 21.19 9.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 7.21 109.773 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.69 106.01 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 6.47 109.177 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.28 -160.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.05 1.833 . . . . 4.53 110.404 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 50.5 mt -80.11 148.03 31.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.341 -0.849 . . . . 4.35 109.543 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.36 -150.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 2.48 109.425 179.938 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.06 171.68 35.06 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.49 -1.444 . . . . 0.98 109.49 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.13 141.0 51.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -1.104 . . . . 1.7 109.423 -179.831 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -93.11 156.93 16.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.61 109.582 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.2 m-85 -138.89 -169.08 2.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.58 109.574 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.31 158.24 41.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.42 109.368 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.9 tp -148.67 134.83 19.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.36 109.51 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -86.66 129.47 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.348 -0.845 . . . . 1.37 109.514 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 338' ' ' PHE . 34.5 mt -123.97 115.32 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.47 109.611 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 149.25 41.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 2.1 109.468 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.13 137.76 6.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 10.7 ttm180 -83.91 -51.54 7.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -1.198 . . . . 2.68 109.475 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.63 -46.24 87.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 2.22 109.654 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.51 -42.21 95.94 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.331 -0.855 . . . . 2.77 109.529 -179.718 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.2 t80 -55.56 -52.82 62.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.43 109.773 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.19 -37.06 44.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.252 -0.905 . . . . 1.66 110.174 -179.537 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.83 -48.2 80.1 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.127 -0.983 . . . . 0.44 110.026 -179.289 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.93 -49.0 79.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.29 109.345 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.49 -40.84 60.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 2.44 109.7 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 1.74 109.87 -179.833 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' B' ' 344' ' ' LEU . 65.5 mt -62.77 -46.31 88.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.269 -0.894 . . . . 0.3 109.577 -179.726 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -57.97 -46.94 84.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.339 -0.85 . . . . 1.22 109.648 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -34.37 76.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.72 109.827 -179.619 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -53.43 57.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.27 109.856 -179.667 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.01 -40.33 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.29 109.513 -179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.11 -35.98 76.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -0.851 . . . . 1.91 109.474 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.36 -44.01 92.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 0.41 109.279 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 3.4 ttmm -61.41 -43.32 99.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 1.56 108.863 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.15 -30.24 64.27 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 1.43 109.388 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -65.28 -46.09 81.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.388 -0.82 . . . . 0.66 109.278 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -80.98 -3.06 50.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.396 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.95 -76.69 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.23 109.753 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.08 -0.91 30.69 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.361 -1.096 . . . . 1.54 110.361 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 6.8 mtmt -84.92 -87.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.361 . . . . 4.18 109.271 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.1 121.78 21.14 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 5.71 109.35 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -59.89 130.84 36.56 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.925 1.75 . . . . 5.61 110.404 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.989 -1.45 . . . . 7.24 109.493 179.843 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 320' ' ' LYS . 3.6 mttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.411 -0.589 . . . . 7.34 109.411 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 59.76 21.11 9.89 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.46 -0.775 . . . . 7.17 109.671 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.81 106.01 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 6.44 109.159 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.12 -161.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.062 1.841 . . . . 4.54 110.468 -179.761 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.11 148.08 31.13 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 4.32 109.515 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.47 -151.23 0.06 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.294 -0.879 . . . . 2.47 109.321 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.43 171.74 32.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.545 -1.422 . . . . 0.95 109.545 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.24 141.06 51.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -1.126 . . . . 1.61 109.387 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.24 156.98 16.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.908 . . . . 0.57 109.552 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.9 m-85 -138.95 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.53 109.475 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.3 p -153.32 158.25 41.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.38 109.401 -179.838 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.61 134.81 19.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.36 109.571 -179.662 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.73 129.34 34.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 1.36 109.476 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' B' ' 338' ' ' PHE . 34.4 mt -123.87 115.49 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.49 109.672 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 149.36 41.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 2.1 109.468 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.03 137.83 6.89 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.78 -1.328 . . . . 0.44 109.78 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 10.7 ttm180 -83.95 -51.39 7.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -1.148 . . . . 2.72 109.516 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.86 -46.11 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.21 109.575 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.57 -42.12 95.99 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.253 -0.904 . . . . 2.79 109.564 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' B' ' 332' ' ' ILE . 76.5 t80 -55.55 -52.94 62.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.45 109.758 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.15 -37.09 44.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.68 110.166 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.81 -48.09 80.6 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.153 -0.967 . . . . 0.43 110.122 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -49.09 78.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.28 109.313 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.37 -40.98 60.3 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.312 -0.868 . . . . 2.52 109.667 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.41 -41.34 97.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.149 -0.969 . . . . 1.75 109.855 -179.756 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 344' ' ' LEU . 65.6 mt -62.74 -46.42 88.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.31 109.566 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -57.99 -46.74 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.385 -0.822 . . . . 1.21 109.77 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -34.31 76.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 1.69 109.803 -179.652 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.71 -53.42 57.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.27 109.837 -179.704 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.04 -40.35 93.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.3 109.571 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.06 -36.0 76.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.93 109.48 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.27 -44.12 92.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.295 -0.878 . . . . 0.4 109.266 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.32 99.06 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.41 -0.806 . . . . 1.59 108.97 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.23 -30.15 64.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.574 -0.704 . . . . 1.43 109.381 179.515 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -65.39 -45.97 81.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.42 -0.8 . . . . 0.65 109.344 -179.857 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.02 -2.91 49.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 1.19 109.476 179.556 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.12 -76.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 1.22 109.759 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.06 -1.06 31.4 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.37 -1.092 . . . . 1.53 110.37 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 6.8 mtmt -84.73 -87.1 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.289 . . . . 4.21 109.317 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -52.17 121.86 21.79 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.154 -0.966 . . . . 5.68 109.287 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -60.1 130.83 36.06 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.947 1.765 . . . . 5.57 110.371 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.929 -1.484 . . . . 7.2 109.541 179.978 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' C' ' 320' ' ' LYS . 3.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.548 -0.538 . . . . 8.96 109.548 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 59.84 21.15 10.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -0.8 . . . . 8.15 109.633 179.901 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.78 105.88 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 7.15 109.256 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.17 -160.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 121.969 1.779 . . . . 4.35 110.452 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.12 148.11 31.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.225 -0.922 . . . . 4.63 109.463 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.38 -151.17 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.881 . . . . 2.85 109.355 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.67 171.75 33.48 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.591 -1.403 . . . . 1.12 109.591 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.23 141.07 51.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -1.096 . . . . 2.11 109.385 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.28 156.91 16.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.109 -0.994 . . . . 0.64 109.507 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.0 m-85 -138.84 -169.18 2.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 0.49 109.444 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -153.2 158.4 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.47 109.399 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.8 134.84 19.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.42 109.573 -179.762 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.4 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.356 -0.84 . . . . 1.81 109.454 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' C' ' 338' ' ' PHE . 34.7 mt -123.95 115.45 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.184 -0.948 . . . . 0.42 109.576 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 149.27 41.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 2.35 109.497 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.08 137.8 6.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 10.7 ttm180 -83.94 -51.44 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -1.119 . . . . 2.59 109.489 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.8 -46.21 88.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.865 . . . . 2.54 109.591 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.46 -42.17 95.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.284 -0.885 . . . . 3.39 109.632 -179.812 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.8 t80 -55.56 -52.9 62.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.372 -0.83 . . . . 0.47 109.765 -179.914 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.08 -37.18 44.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.88 . . . . 1.66 110.123 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.91 -48.01 80.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.098 -1.001 . . . . 0.61 110.118 -179.198 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.04 -48.87 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.115 -0.99 . . . . 0.33 109.412 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.43 -40.89 60.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 3.28 109.645 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.53 -41.29 97.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.186 -0.946 . . . . 1.78 109.841 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' D' ' 344' ' ' LEU . 65.6 mt -62.73 -46.34 88.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.38 109.562 -179.79 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -58.03 -46.86 84.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 1.2 109.762 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -34.57 76.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 2.12 109.885 -179.739 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.5 -53.5 56.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.301 -0.874 . . . . 0.26 109.916 -179.72 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.03 -40.37 93.32 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.306 -0.871 . . . . 0.4 109.543 -179.676 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.04 -36.05 76.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 2.09 109.412 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.31 -44.02 92.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.358 -0.839 . . . . 0.75 109.358 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.35 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.399 -0.813 . . . . 2.19 108.951 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.08 -30.36 64.25 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.624 -0.673 . . . . 1.34 109.388 179.462 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -65.22 -45.99 82.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.483 -0.761 . . . . 0.72 109.432 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.16 -2.87 50.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.23 -0.919 . . . . 1.8 109.369 179.672 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.99 -76.7 0.1 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 1.39 109.744 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.02 -1.04 30.96 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.363 -1.095 . . . . 1.66 110.363 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 6.8 mtmt -84.79 -87.26 0.12 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.977 -1.307 . . . . 4.45 109.209 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -51.96 121.84 20.72 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 6.19 109.334 179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -60.08 130.81 36.03 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.955 1.77 . . . . 5.58 110.348 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.927 -1.485 . . . . 6.9 109.534 179.914 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' D' ' 320' ' ' LYS . 3.6 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.567 -0.531 . . . . 7.36 109.567 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 59.88 21.06 10.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.414 -0.804 . . . . 7.15 109.761 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.82 105.96 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 6.5 109.229 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.19 -160.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.003 1.802 . . . . 4.5 110.595 -179.725 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 51.4 mt -80.19 148.12 31.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 4.32 109.496 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.46 -151.15 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 2.46 109.28 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 171.7 33.35 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.592 -1.403 . . . . 0.97 109.592 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -58.17 140.94 51.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -1.109 . . . . 1.67 109.414 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -93.07 157.05 16.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 0.61 109.536 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.0 m-85 -138.89 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.56 109.58 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.26 158.32 41.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.43 109.464 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.71 134.82 19.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.35 109.557 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.67 129.31 34.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.366 -0.834 . . . . 1.37 109.452 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' D' ' 338' ' ' PHE . 34.8 mt -123.92 115.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.48 109.634 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 149.25 41.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 2.08 109.509 179.784 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.16 137.79 6.95 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.717 -1.353 . . . . 0.4 109.717 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 10.7 ttm180 -83.92 -51.51 7.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 2.64 109.418 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.87 -46.05 88.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 2.22 109.502 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.6 -42.17 96.25 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.233 -0.917 . . . . 2.74 109.515 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.461 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.7 t80 -55.57 -52.8 62.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.449 -0.782 . . . . 0.43 109.799 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.13 -37.22 44.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 1.69 110.096 -179.509 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.79 -48.11 80.53 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.133 -0.98 . . . . 0.43 110.062 -179.225 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.13 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.27 109.276 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -51.54 -40.88 60.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.312 -0.868 . . . . 2.45 109.582 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -41.27 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 1.75 109.807 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -62.68 -46.48 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.135 -0.978 . . . . 0.31 109.552 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.03 -46.81 84.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.851 . . . . 1.22 109.705 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -34.33 76.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.73 109.941 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -53.34 58.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 0.28 109.875 -179.665 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.16 -40.28 93.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.866 . . . . 0.31 109.473 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.09 -36.03 76.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.87 . . . . 1.91 109.36 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.714 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.32 -44.02 92.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.43 109.296 -179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.38 98.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.346 -0.846 . . . . 1.57 108.942 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.07 -30.31 64.18 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.577 -0.702 . . . . 1.44 109.42 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -65.32 -45.94 82.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.379 -0.825 . . . . 0.64 109.371 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.14 -2.93 50.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.21 109.384 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.0 -76.67 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.377 -0.827 . . . . 1.22 109.707 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 -0.96 30.96 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.348 -1.101 . . . . 1.5 110.348 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 6.8 mtmt -84.83 -87.26 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.9 -1.353 . . . . 4.18 109.197 179.833 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -52.09 121.91 21.55 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.155 -0.966 . . . . 5.67 109.317 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.1 130.86 36.18 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.89 1.727 . . . . 5.65 110.4 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.873 -1.515 . . . . 7.27 109.579 179.97 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.309 0.576 . . . . 7.33 109.487 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.29 172.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 7.21 109.552 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.7 OUTLIER 59.62 63.94 3.14 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.231 -0.918 . . . . 6.47 109.706 179.764 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.4 Cg_endo -61.73 122.6 11.25 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.051 1.834 . . . . 4.53 109.894 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.69 94.23 6.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.124 -0.985 . . . . 4.35 109.863 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 3.7 m-20 -82.75 -174.02 4.99 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.445 -0.785 . . . . 2.48 109.153 179.372 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.32 177.6 28.81 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.062 -1.615 . . . . 0.98 109.062 179.465 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.9 135.09 56.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.071 -1.252 . . . . 1.7 109.165 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 44.7 m-85 -92.05 155.06 18.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.977 . . . . 0.61 109.657 -179.675 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.5 m-85 -139.62 -168.97 2.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.389 -0.819 . . . . 0.58 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -152.87 160.16 43.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.138 -0.976 . . . . 0.42 109.527 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.2 tp -148.92 133.13 17.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.36 109.59 -179.816 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 16.1 tt0 -85.62 129.86 34.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.37 109.27 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.0 mt -123.34 110.9 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.47 109.593 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 145.15 46.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 2.1 109.383 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.33 8.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.61 -1.396 . . . . 0.42 109.61 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.8 OUTLIER -78.27 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 2.68 109.4 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.25 -40.14 81.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.22 109.571 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.25 -44.88 96.53 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.365 -0.835 . . . . 2.77 109.674 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CD1' HD12 ' A' ' 332' ' ' ILE . 48.5 t80 -54.87 -53.27 57.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 0.43 109.545 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -50.93 -34.27 27.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.318 -0.864 . . . . 1.66 109.793 -179.78 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 10.6 ttp -62.91 -49.01 76.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.118 -0.989 . . . . 0.44 109.885 -179.592 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -61.09 -53.42 57.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.151 -0.968 . . . . 0.29 109.234 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -51.01 -34.64 30.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.44 109.55 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 340' ' ' MET . 0.9 OUTLIER -60.01 -50.28 74.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 1.74 109.528 -179.857 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' B' ' 344' ' ' LEU . 49.0 mt -60.99 -34.2 74.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.3 108.855 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.735 . . . . 1.22 109.492 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.9 -31.3 72.33 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 1.72 109.872 -179.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.4 -56.71 17.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.318 -0.864 . . . . 0.27 110.045 -179.814 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.84 -41.64 96.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.29 109.696 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.85 -35.2 74.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.233 -0.917 . . . . 1.91 109.483 179.84 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.9 -42.89 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 0.41 109.422 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 31.3 ttmt -61.16 -44.32 97.49 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.704 -0.85 . . . . 1.56 108.704 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.42 -32.79 67.23 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.579 -0.7 . . . . 1.43 109.457 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.54 75.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.66 109.56 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.403 HE22 HE22 ' B' ' 354' ' ' GLN . 0.5 OUTLIER -82.72 -11.48 58.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.229 -0.919 . . . . 1.18 109.384 179.908 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.97 -4.54 32.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.241 -0.912 . . . . 1.23 109.583 179.599 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 18.18 28.9 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.143 -1.183 . . . . 1.54 110.143 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -84.63 154.03 22.8 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.058 -1.26 . . . . 4.18 109.363 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.3 161.06 0.49 Allowed Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.149 -0.969 . . . . 5.71 109.573 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.45 -159.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.227 1.951 . . . . 5.61 110.244 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.043 -1.421 . . . . 7.24 109.596 179.996 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.444 -0.576 . . . . 7.34 109.444 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.27 172.25 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.926 . . . . 7.17 109.566 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.451 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.7 OUTLIER 59.6 64.0 3.13 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.878 . . . . 6.44 109.81 179.822 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.4 Cg_endo -61.8 122.63 11.28 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.075 1.85 . . . . 4.54 109.85 179.812 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.71 94.37 6.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.953 . . . . 4.32 109.811 -179.821 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.461 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 3.7 m-20 -82.97 -174.01 5.04 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.327 -0.858 . . . . 2.47 109.05 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.31 177.82 28.36 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.046 -1.622 . . . . 0.95 109.046 179.498 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.06 135.25 56.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.084 -1.245 . . . . 1.61 109.166 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 43.8 m-85 -92.1 154.95 18.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.57 109.671 -179.635 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.7 m-85 -139.63 -168.98 2.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.353 -0.842 . . . . 0.53 109.348 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.4 p -152.8 160.25 43.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.169 -0.957 . . . . 0.38 109.537 -179.856 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.0 133.17 17.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.36 109.544 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.56 129.84 34.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.261 -0.9 . . . . 1.36 109.311 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.522 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.1 mt -123.48 110.83 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.169 -0.957 . . . . 0.49 109.607 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 145.04 46.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.1 109.375 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.3 8.43 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.636 -1.386 . . . . 0.44 109.636 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.579 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.8 OUTLIER -78.21 -61.56 1.96 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -1.078 . . . . 2.72 109.48 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.22 -40.37 81.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 2.21 109.547 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.06 -44.89 96.7 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.249 -0.907 . . . . 2.79 109.692 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CD1' HD12 ' B' ' 332' ' ' ILE . 48.9 t80 -54.84 -53.17 58.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.45 109.687 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.96 -34.35 28.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 1.68 109.777 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 10.6 ttp -62.83 -49.1 76.22 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.183 -0.948 . . . . 0.43 109.905 -179.61 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.4 m-85 -60.92 -53.51 56.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.28 109.25 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.6 30.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 2.52 109.451 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' B' ' 340' ' ' MET . 0.9 OUTLIER -59.99 -50.28 74.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 1.75 109.532 -179.895 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' A' ' 344' ' ' LEU . 48.9 mt -60.92 -34.34 74.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.31 108.878 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.9 -53.28 60.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.458 -0.776 . . . . 1.21 109.479 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.0 -31.04 72.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 1.69 109.87 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.71 -56.69 17.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.193 -0.942 . . . . 0.27 109.928 -179.741 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.8 -41.7 96.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.3 109.59 -179.62 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.84 -35.19 74.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.192 -0.943 . . . . 1.93 109.426 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 19.2 tp -65.97 -42.89 89.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.304 -0.873 . . . . 0.4 109.378 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.1 -44.3 97.56 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.791 -0.818 . . . . 1.59 108.791 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.51 -32.71 67.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.53 -0.731 . . . . 1.43 109.406 179.569 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.38 75.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.369 -0.832 . . . . 0.65 109.674 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.403 HE22 HE22 ' A' ' 354' ' ' GLN . 0.5 OUTLIER -82.79 -11.5 58.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.223 -0.923 . . . . 1.19 109.335 179.877 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.03 -4.5 32.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 1.22 109.518 179.703 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 18.29 28.96 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.101 -1.2 . . . . 1.53 110.101 -179.528 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -84.74 154.08 22.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.023 -1.28 . . . . 4.21 109.332 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.28 161.09 0.48 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 5.68 109.588 -179.817 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.55 -159.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.265 1.976 . . . . 5.57 110.252 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.979 -1.456 . . . . 7.2 109.476 179.947 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.475 -0.565 . . . . 8.96 109.475 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.26 172.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 8.15 109.441 179.895 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.7 OUTLIER 59.53 64.03 3.15 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 7.15 109.769 179.804 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.4 Cg_endo -61.86 122.67 11.31 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.063 1.842 . . . . 4.35 109.867 179.756 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.71 94.22 6.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.127 -0.983 . . . . 4.63 109.848 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.468 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 3.6 m-20 -82.78 -174.0 4.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.353 -0.842 . . . . 2.85 109.143 179.372 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.28 177.73 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.155 -1.578 . . . . 1.12 109.155 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.03 135.22 56.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.101 -1.234 . . . . 2.11 109.047 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 44.4 m-85 -92.04 154.93 18.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.98 . . . . 0.64 109.666 -179.686 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 86.4 m-85 -139.64 -168.98 2.6 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.306 -0.871 . . . . 0.49 109.401 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 40.6 p -152.84 160.05 43.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.47 109.472 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.2 tp -148.73 133.21 17.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 0.42 109.592 -179.866 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 16.0 tt0 -85.63 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 1.81 109.265 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.3 mt -123.36 110.92 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.42 109.623 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 145.17 46.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 2.35 109.305 179.813 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.43 134.33 8.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.8 OUTLIER -78.19 -61.5 1.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -1.165 . . . . 2.59 109.516 179.899 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.5 -40.13 81.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 2.54 109.439 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.2 -44.88 96.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 3.39 109.614 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 48.8 t80 -54.86 -53.26 57.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.398 -0.814 . . . . 0.47 109.582 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -50.94 -34.29 28.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.358 -0.839 . . . . 1.66 109.746 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 10.5 ttp -62.89 -49.09 76.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.215 -0.928 . . . . 0.61 109.876 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.0 -53.43 57.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.89 . . . . 0.33 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.62 30.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.351 -0.843 . . . . 3.28 109.474 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -59.98 -50.23 74.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.78 109.616 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' D' ' 344' ' ' LEU . 49.8 mt -60.99 -34.18 74.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.16 -0.963 . . . . 0.38 108.937 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 1.2 109.521 179.564 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.94 -31.1 72.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.372 -0.83 . . . . 2.12 109.812 -179.733 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.58 -56.88 15.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 0.26 109.935 -179.712 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.69 -41.68 95.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.4 109.696 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.82 -35.21 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -0.938 . . . . 2.09 109.514 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 19.2 tp -65.93 -42.88 89.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.324 -0.86 . . . . 0.75 109.41 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.14 -44.29 97.55 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.412 -0.805 . . . . 2.19 108.835 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.36 -32.88 67.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.612 -0.68 . . . . 1.34 109.48 179.415 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.47 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.72 109.647 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -82.81 -11.47 58.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.175 -0.953 . . . . 1.8 109.252 179.924 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.06 -4.52 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 1.39 109.531 179.699 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 18.31 28.88 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.072 -1.211 . . . . 1.66 110.072 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -84.71 154.09 22.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.08 -1.247 . . . . 4.45 109.348 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.33 161.15 0.48 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.957 . . . . 6.19 109.547 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.57 -159.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.266 1.977 . . . . 5.58 110.235 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 117.943 -1.476 . . . . 6.9 109.599 179.993 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.489 -0.56 . . . . 7.36 109.489 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.29 172.26 0.06 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 7.15 109.554 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.7 OUTLIER 59.64 63.96 3.12 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 6.5 109.699 179.739 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.4 Cg_endo -61.76 122.59 11.22 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.087 1.858 . . . . 4.5 109.966 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.0 mt -81.68 94.29 6.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 4.32 109.862 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.46 ' HB2' ' CZ ' ' D' ' 327' ' ' TYR . 3.7 m-20 -82.89 -173.93 4.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 2.46 109.049 179.478 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.25 177.73 28.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.14 -1.584 . . . . 0.97 109.14 179.402 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.93 135.24 56.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.239 . . . . 1.67 109.098 179.77 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' D' ' 324' ' ' ASP . 45.0 m-85 -92.19 154.97 18.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.61 109.659 -179.671 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.8 m-85 -139.58 -168.98 2.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.56 109.322 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.423 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.5 p -152.88 160.17 43.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.43 109.507 -179.87 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.96 133.12 17.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.395 -0.816 . . . . 0.35 109.54 -179.779 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.54 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 1.37 109.192 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.0 mt -123.43 110.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.48 109.561 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 144.99 46.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.354 -0.841 . . . . 2.08 109.392 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.49 134.37 8.45 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.574 -1.41 . . . . 0.4 109.574 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -78.24 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -1.111 . . . . 2.64 109.474 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -58.29 -40.44 81.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.367 -0.833 . . . . 2.22 109.468 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.0 -44.81 96.87 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.288 -0.882 . . . . 2.74 109.638 -179.812 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' D' ' 332' ' ' ILE . 48.6 t80 -54.92 -53.26 57.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.43 109.578 -179.826 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.87 -34.4 27.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 1.69 109.742 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 10.7 ttp -62.86 -48.91 77.0 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.251 -0.906 . . . . 0.43 109.941 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.13 -53.46 56.72 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.889 . . . . 0.27 109.212 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.02 -34.53 29.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 2.45 109.532 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' D' ' 340' ' ' MET . 0.9 OUTLIER -60.14 -50.32 74.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.75 109.517 -179.908 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -60.75 -34.37 74.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.31 108.894 179.737 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.07 -53.18 61.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.375 -0.828 . . . . 1.22 109.469 179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.89 -31.26 72.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 1.73 109.76 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.55 -56.79 16.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.109 -0.995 . . . . 0.28 109.955 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.67 -41.76 95.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.422 -0.799 . . . . 0.31 109.676 -179.68 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.75 -35.27 74.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -0.927 . . . . 1.91 109.467 179.873 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.441 HD21 ' NE2' ' C' ' 354' ' ' GLN . 19.1 tp -65.95 -42.89 89.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.329 -0.857 . . . . 0.43 109.372 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.441 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 31.4 ttmt -61.15 -44.28 97.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.756 -0.831 . . . . 1.57 108.756 179.816 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.44 -32.78 67.26 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.621 -0.674 . . . . 1.44 109.456 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.6 76.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 0.64 109.606 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.65 -11.53 58.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 1.21 109.338 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -4.59 33.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.328 -0.857 . . . . 1.22 109.552 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 18.09 29.15 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.139 -1.185 . . . . 1.5 110.139 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -84.65 154.03 22.79 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.083 -1.246 . . . . 4.18 109.348 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.28 161.11 0.48 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 5.67 109.595 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.53 -159.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.246 1.964 . . . . 5.65 110.255 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 117.924 -1.487 . . . . 7.27 109.627 179.984 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.488 -0.56 . . . . 7.33 109.488 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 18.5 tttt 62.84 83.75 0.15 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 7.21 109.546 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 61.84 153.3 0.11 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.301 -0.875 . . . . 6.47 109.615 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.73 -162.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.171 1.914 . . . . 4.53 110.081 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.8 118.72 22.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 4.35 109.468 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -79.92 -154.74 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.269 -0.895 . . . . 2.48 109.394 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.49 169.8 36.43 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.393 -1.483 . . . . 0.98 109.393 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.12 138.11 56.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.1 -1.235 . . . . 1.7 109.497 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -93.26 155.81 17.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.61 109.336 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.8 m-85 -138.58 -169.68 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.58 109.631 -179.839 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.3 p -154.16 156.98 38.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.42 109.377 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -146.94 129.37 15.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.36 109.437 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 15.2 tt0 -86.41 135.36 33.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.83 . . . . 1.37 110.082 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.7 mt -123.56 119.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.393 -0.817 . . . . 0.47 109.263 179.526 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 146.49 45.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.211 -0.931 . . . . 2.1 109.731 -179.687 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 142.95 9.82 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.903 -1.279 . . . . 0.42 109.903 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.1 ttm180 -79.65 -51.18 9.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -1.054 . . . . 2.68 109.285 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.29 -41.03 83.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 2.22 109.334 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -45.19 85.91 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.259 -0.901 . . . . 2.77 109.678 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.56 ' HD1' HD12 ' A' ' 332' ' ' ILE . 47.0 t80 -55.87 -55.01 37.59 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.405 -0.809 . . . . 0.43 109.63 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.45 -38.13 41.84 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.252 -0.905 . . . . 1.66 110.103 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -63.88 -51.22 65.55 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.101 -0.999 . . . . 0.44 110.519 -179.276 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.1 m-85 -60.93 -55.32 34.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.06 -1.025 . . . . 0.29 109.467 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.46 -34.48 16.92 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.413 -0.805 . . . . 2.44 109.61 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.55 -49.9 75.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.103 -0.998 . . . . 1.74 109.375 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 344' ' ' LEU . 96.7 mt -61.87 -34.53 76.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.299 -0.875 . . . . 0.3 108.929 179.736 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.6 t-20 -58.93 -52.84 64.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.321 -0.862 . . . . 1.22 109.423 179.714 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -31.38 72.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.875 . . . . 1.72 109.813 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.98 -58.77 7.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.27 109.964 -179.721 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.42 -40.06 89.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.29 109.501 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.16 -34.62 72.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.344 -0.847 . . . . 1.91 109.051 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' B' ' 354' ' ' GLN . 10.5 tp -65.38 -39.87 92.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.406 -0.809 . . . . 0.41 108.963 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -46.41 89.21 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.926 -0.768 . . . . 1.56 108.926 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.06 -31.01 62.8 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.54 -0.725 . . . . 1.43 109.445 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.37 91.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.66 109.635 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.599 ' OE1' HD21 ' B' ' 350' ' ' LEU . 0.8 OUTLIER -83.18 -12.26 57.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.18 109.583 179.943 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.07 -11.45 60.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.216 -0.927 . . . . 1.23 109.474 179.788 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -81.05 1.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.482 -1.447 . . . . 1.54 109.482 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -86.95 124.33 33.03 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.231 -1.158 . . . . 4.18 109.361 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.78 156.07 1.75 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.935 . . . . 5.71 109.514 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.71 126.15 19.05 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.112 1.875 . . . . 5.61 110.268 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.469 -1.452 . . . . 7.24 109.469 179.964 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.511 -0.552 . . . . 7.34 109.511 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 18.5 tttt 62.82 83.72 0.15 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.293 -0.88 . . . . 7.17 109.579 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 23.3 mttt 61.98 153.27 0.11 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 6.44 109.541 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.67 -162.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.181 1.921 . . . . 4.54 110.112 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.77 118.75 22.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.147 -0.971 . . . . 4.32 109.383 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.95 -154.96 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.239 -0.913 . . . . 2.47 109.394 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.11 169.86 34.91 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.447 -1.461 . . . . 0.95 109.447 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.25 138.11 56.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.188 -1.183 . . . . 1.61 109.457 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -93.23 155.77 17.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.341 -0.849 . . . . 0.57 109.312 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 91.4 m-85 -138.5 -169.65 2.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.53 109.67 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -154.09 156.97 38.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -0.935 . . . . 0.38 109.49 -179.87 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.4 tp -146.96 129.47 15.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.36 109.338 -179.869 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 15.0 tt0 -86.51 135.42 33.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 1.36 109.963 -179.568 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.72 119.57 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.847 . . . . 0.49 109.099 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 146.39 46.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.126 -0.984 . . . . 2.1 109.732 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.79 143.0 9.77 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.884 -1.286 . . . . 0.44 109.884 179.703 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.1 ttm180 -79.69 -51.09 9.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.374 -1.074 . . . . 2.72 109.286 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.32 -41.06 83.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -0.806 . . . . 2.21 109.311 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.454 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.65 -45.1 85.95 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.233 -0.917 . . . . 2.79 109.78 179.936 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' B' ' 332' ' ' ILE . 47.2 t80 -55.8 -55.01 37.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.45 109.74 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -50.42 -38.22 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.68 110.055 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.84 -51.29 65.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.159 -0.963 . . . . 0.43 110.521 -179.321 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.9 m-85 -60.89 -55.43 33.1 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.148 -0.97 . . . . 0.28 109.408 -179.579 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.45 -34.46 16.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.52 109.535 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.44 -49.92 75.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.986 . . . . 1.75 109.484 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 344' ' ' LEU . 96.8 mt -61.97 -34.41 76.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.31 108.874 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.6 t-20 -59.05 -52.74 64.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.821 . . . . 1.21 109.511 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -31.45 72.63 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.69 109.758 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.94 -58.75 7.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.28 -0.887 . . . . 0.27 109.99 -179.715 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.44 -40.17 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.3 109.396 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.05 -34.67 72.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.382 -0.824 . . . . 1.93 109.096 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.599 HD21 ' OE1' ' A' ' 354' ' ' GLN . 10.5 tp -65.32 -39.88 93.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.348 -0.845 . . . . 0.4 109.01 179.686 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -46.49 88.97 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.969 -0.752 . . . . 1.59 108.969 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.08 -30.86 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.513 -0.742 . . . . 1.43 109.512 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.26 90.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.65 109.597 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.581 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -83.06 -12.48 57.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 1.19 109.583 179.892 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.04 -11.46 60.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 1.22 109.472 179.925 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 -81.08 1.1 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.485 -1.446 . . . . 1.53 109.485 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.88 124.29 32.94 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.299 -1.118 . . . . 4.21 109.409 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.81 156.14 1.74 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 5.68 109.553 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.82 125.96 18.51 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.236 1.957 . . . . 5.57 110.262 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.968 -1.462 . . . . 7.2 109.533 -179.984 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.508 -0.553 . . . . 8.96 109.508 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 18.4 tttt 62.91 83.56 0.16 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 8.15 109.575 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 62.0 153.2 0.11 Allowed Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 7.15 109.629 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.68 -162.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.149 1.899 . . . . 4.35 110.035 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 74.0 mt -80.79 118.76 22.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.151 -0.968 . . . . 4.63 109.45 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.99 -154.78 0.1 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.201 -0.937 . . . . 2.85 109.33 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.32 169.83 35.75 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.381 -1.488 . . . . 1.12 109.381 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.24 138.0 56.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 2.11 109.499 -179.875 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.12 155.76 17.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.234 -0.916 . . . . 0.64 109.413 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -138.49 -169.61 2.64 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.49 109.636 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.559 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.5 p -154.22 156.96 38.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.249 -0.907 . . . . 0.47 109.441 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.2 tp -146.98 129.4 15.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.42 109.305 -179.788 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 15.0 tt0 -86.49 135.39 33.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 1.81 110.014 -179.537 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' C' ' 341' ' ' PHE . 46.7 mt -123.63 119.57 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.431 -0.793 . . . . 0.42 109.197 179.584 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.47 45.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 2.35 109.7 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.77 142.92 9.7 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.809 -1.316 . . . . 0.41 109.809 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.2 ttm180 -79.58 -51.12 9.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -1.068 . . . . 2.59 109.377 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.28 -41.01 83.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.352 -0.843 . . . . 2.54 109.36 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.459 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -45.15 86.01 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.326 -0.859 . . . . 3.39 109.72 179.906 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' C' ' 332' ' ' ILE . 47.4 t80 -55.87 -55.09 36.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.47 109.618 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.34 -38.21 40.83 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.166 -0.959 . . . . 1.66 110.105 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.85 -51.23 65.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.109 -0.994 . . . . 0.61 110.57 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.5 m-85 -60.77 -55.5 32.44 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.141 -0.974 . . . . 0.33 109.468 -179.656 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.41 -34.46 16.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.452 -0.78 . . . . 3.28 109.552 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.66 -49.77 76.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.129 -0.982 . . . . 1.78 109.446 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' D' ' 344' ' ' LEU . 96.7 mt -61.96 -34.41 76.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 0.38 108.949 179.68 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.01 -52.82 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.332 -0.855 . . . . 1.2 109.424 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -31.38 72.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.406 -0.809 . . . . 2.12 109.791 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.08 -58.61 7.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.94 . . . . 0.26 109.925 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.51 -40.22 90.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.4 109.368 -179.743 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.09 -34.68 72.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.261 -0.9 . . . . 2.09 109.06 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.603 HD21 ' OE1' ' D' ' 354' ' ' GLN . 10.5 tp -65.21 -39.96 93.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.75 109.055 179.655 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 0.8 OUTLIER -62.01 -46.56 88.68 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.95 -31.02 62.57 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.421 -0.8 . . . . 1.34 109.552 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.36 91.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.379 -0.826 . . . . 0.72 109.601 -179.802 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.8 OUTLIER -83.14 -12.39 57.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -0.922 . . . . 1.8 109.432 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.1 -11.4 60.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 1.39 109.459 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -81.08 1.11 Allowed Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.459 -1.456 . . . . 1.66 109.459 179.929 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.97 124.31 33.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -1.106 . . . . 4.45 109.41 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.74 156.09 1.73 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 6.19 109.509 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.75 126.15 19.02 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.143 1.896 . . . . 5.58 110.185 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.528 -1.429 . . . . 6.9 109.528 179.918 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.458 -0.571 . . . . 7.36 109.458 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 18.4 tttt 62.93 83.66 0.16 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 7.15 109.539 179.926 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 61.97 153.25 0.11 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 6.5 109.54 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.67 -162.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.19 1.926 . . . . 4.5 110.11 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.76 118.68 22.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.262 -0.899 . . . . 4.32 109.428 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.85 -154.81 0.09 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 2.46 109.427 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.39 169.8 36.07 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.348 -1.501 . . . . 0.97 109.348 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.1 138.05 56.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.15 -1.206 . . . . 1.67 109.485 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.23 155.72 17.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.326 -0.859 . . . . 0.61 109.407 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.7 m-85 -138.42 -169.69 2.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.212 -0.93 . . . . 0.56 109.649 -179.826 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.6 p -154.09 157.05 38.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.949 . . . . 0.43 109.475 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -147.03 129.41 15.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 0.35 109.22 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 15.0 tt0 -86.45 135.42 33.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.37 109.953 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.68 119.64 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.834 . . . . 0.48 109.146 179.525 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.41 46.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 2.08 109.745 -179.789 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.92 142.96 9.84 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.826 -1.31 . . . . 0.4 109.826 179.676 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.1 ttm180 -79.61 -51.19 9.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -1.11 . . . . 2.64 109.306 179.811 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.25 -41.08 83.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.87 . . . . 2.22 109.338 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.66 -45.17 85.9 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.168 -0.957 . . . . 2.74 109.689 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 47.1 t80 -55.82 -55.1 36.46 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.329 -0.857 . . . . 0.43 109.68 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.36 -38.14 40.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 1.69 110.075 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.88 -51.27 65.34 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.151 -0.968 . . . . 0.43 110.542 -179.319 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.582 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.3 m-85 -60.82 -55.47 32.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.126 -0.984 . . . . 0.27 109.45 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.4 -34.49 16.43 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.445 -0.785 . . . . 2.45 109.56 179.831 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.46 -49.93 75.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 1.75 109.458 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -61.94 -34.37 75.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.31 108.939 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.408 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.7 t-20 -59.02 -52.87 63.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.408 -0.807 . . . . 1.22 109.431 179.69 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.0 OUTLIER -63.73 -31.43 72.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 1.73 109.737 -179.9 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.06 -58.62 7.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.28 109.93 -179.615 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.48 -40.19 90.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 0.31 109.447 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.07 -34.66 72.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.895 . . . . 1.91 109.076 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' C' ' 354' ' ' GLN . 10.4 tp -65.27 -39.95 93.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.43 109.035 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -46.46 89.06 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.922 -0.77 . . . . 1.57 108.922 179.721 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.04 -30.89 62.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.585 -0.697 . . . . 1.44 109.589 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.39 90.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.348 -0.845 . . . . 0.64 109.583 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.603 ' OE1' HD21 ' C' ' 350' ' ' LEU . 0.8 OUTLIER -83.14 -12.28 57.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 1.21 109.536 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -11.37 60.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.212 -0.93 . . . . 1.22 109.46 179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 -81.09 1.11 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.508 -1.437 . . . . 1.5 109.508 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.9 124.25 32.91 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -1.119 . . . . 4.18 109.411 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.77 156.13 1.73 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 5.67 109.536 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.83 126.17 19.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.137 1.891 . . . . 5.65 110.189 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 117.974 -1.459 . . . . 7.27 109.567 179.92 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 46.8 mttt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.592 -0.521 . . . . 7.33 109.592 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.656 ' C ' ' HD2' ' A' ' 322' ' ' PRO . 24.1 tttm 81.73 -52.77 0.26 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.726 -0.472 . . . . 7.21 109.726 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.621 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 0.7 OUTLIER 99.79 -57.34 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.217 0 CA-C-O 118.695 -0.669 . . . . 6.47 111.798 -179.625 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.656 ' HD2' ' C ' ' A' ' 320' ' ' LYS . 3.4 Cg_exo -63.56 155.17 64.43 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 120.829 1.02 . . . . 4.53 110.177 -179.712 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.02 124.05 28.85 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -0.889 . . . . 4.35 109.523 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.49 -103.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.186 -0.947 . . . . 2.48 109.446 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.35 147.55 44.24 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.656 -1.378 . . . . 0.98 109.656 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.39 138.18 58.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.406 -1.055 . . . . 1.7 109.483 179.736 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.53 156.57 16.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.61 109.461 179.807 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 75.0 m-85 -140.17 -172.01 3.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.246 -0.909 . . . . 0.58 109.628 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 7.5 p -153.53 163.0 40.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.42 109.494 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.47 133.75 17.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.36 109.403 -179.704 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.49 131.02 34.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.346 -0.846 . . . . 1.37 109.482 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 38.5 mt -123.82 116.73 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.915 . . . . 0.47 109.526 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.9 153.88 39.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 2.1 109.615 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.83 138.72 3.19 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.674 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.438 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.5 ttt180 -81.74 -51.02 8.59 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 2.68 109.36 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.14 -46.52 85.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 2.22 109.504 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -41.24 93.13 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.245 -0.909 . . . . 2.77 109.479 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 58.3 t80 -55.42 -54.89 38.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -0.827 . . . . 0.43 109.809 -179.888 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.9 mt-10 -50.24 -34.65 23.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 1.66 109.902 -179.71 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.1 -50.08 71.93 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.106 -0.996 . . . . 0.44 110.077 -179.493 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.1 -53.99 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.899 . . . . 0.29 109.266 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.41 -34.43 24.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.424 -0.798 . . . . 2.44 109.575 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.58 -50.41 73.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -0.974 . . . . 1.74 109.868 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' B' ' 344' ' ' LEU . 90.4 mt -61.48 -34.66 75.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.274 -0.891 . . . . 0.3 108.941 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.54 57.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.506 -0.746 . . . . 1.22 109.595 179.75 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.85 76.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 1.72 110.027 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.93 -53.61 55.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.27 110.139 -179.488 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.97 -40.09 92.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.29 109.557 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.41 -36.4 78.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.952 . . . . 1.91 109.58 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.66 -48.03 76.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.41 109.738 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.47 -36.86 81.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.364 -0.835 . . . . 1.56 109.194 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.5 -39.59 76.82 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.57 -0.706 . . . . 1.43 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -45.89 75.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.66 109.456 -179.834 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.484 ' OE1' HD21 ' B' ' 350' ' ' LEU . 29.6 mt-30 -81.32 -1.45 45.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.302 -0.874 . . . . 1.18 109.738 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.87 -85.11 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 1.23 109.419 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.15 96.98 1.13 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.49 -1.444 . . . . 1.54 109.49 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.06 56.7 3.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.286 -1.126 . . . . 4.18 109.482 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.56 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -49.99 -56.19 19.22 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 5.71 109.758 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 3.0 Cg_endo -60.88 121.4 9.64 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.888 1.725 . . . . 5.61 110.084 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.952 -1.471 . . . . 7.24 109.632 -179.966 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 46.6 mttt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.167 0.508 . . . . 7.34 109.635 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.657 ' C ' ' HD2' ' B' ' 322' ' ' PRO . 24.2 tttm 81.7 -52.73 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.864 -0.523 . . . . 7.17 109.711 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.62 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 0.7 OUTLIER 99.81 -57.32 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.156 0 CA-C-O 118.597 -0.716 . . . . 6.44 111.76 -179.713 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.657 ' HD2' ' C ' ' B' ' 320' ' ' LYS . 3.5 Cg_exo -63.56 155.31 63.6 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 C-N-CA 120.754 0.969 . . . . 4.54 110.214 -179.732 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.17 124.05 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 4.32 109.385 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.37 -103.49 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.11 -0.994 . . . . 2.47 109.566 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.05 147.6 43.18 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.614 -1.395 . . . . 0.95 109.614 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.41 138.22 58.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.298 -1.119 . . . . 1.61 109.48 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.55 156.66 16.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.57 109.38 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 75.4 m-85 -140.22 -172.17 3.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.53 109.647 -179.828 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' O ' ' B' ' 328' ' ' PHE . 7.8 p -153.45 162.89 40.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.38 109.503 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.38 133.76 17.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.36 109.459 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.53 131.09 34.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 1.36 109.425 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.0 mt -123.86 116.65 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.49 109.506 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.87 153.88 39.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 2.1 109.674 179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 138.65 3.22 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.76 -1.336 . . . . 0.44 109.76 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.5 ttt180 -81.71 -50.95 8.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -1.101 . . . . 2.72 109.409 179.806 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.51 85.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 2.21 109.508 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -41.29 93.21 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.322 -0.861 . . . . 2.79 109.445 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' B' ' 332' ' ' ILE . 57.9 t80 -55.41 -54.88 38.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.45 109.814 -179.845 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 14.8 mt-10 -50.2 -34.63 23.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.441 -0.787 . . . . 1.68 109.867 -179.733 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.184 -0.948 . . . . 0.43 110.032 -179.423 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.2 m-85 -61.13 -53.98 50.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.161 -0.962 . . . . 0.28 109.292 -179.854 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.53 -34.37 25.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.371 -0.831 . . . . 2.52 109.567 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.56 -50.45 73.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.197 -0.939 . . . . 1.75 109.806 -179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' A' ' 344' ' ' LEU . 91.2 mt -61.41 -34.64 75.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.2 -0.937 . . . . 0.31 109.047 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.504 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.3 t-20 -58.86 -53.52 57.5 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 1.21 109.645 179.709 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.88 76.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.287 -0.883 . . . . 1.69 110.103 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.97 -53.57 56.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.27 110.142 -179.477 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.04 -39.92 91.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.219 -0.925 . . . . 0.3 109.632 -179.517 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.56 -36.33 78.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.15 -0.969 . . . . 1.93 109.542 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.484 HD21 ' OE1' ' A' ' 354' ' ' GLN . 13.7 tp -64.63 -48.02 76.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.418 -0.801 . . . . 0.4 109.785 -179.807 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.49 -36.98 81.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.433 -0.792 . . . . 1.59 109.133 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -57.37 -39.67 76.49 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.524 -0.735 . . . . 1.43 109.634 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.83 76.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 0.65 109.523 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -81.48 -1.32 45.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.368 -0.833 . . . . 1.19 109.646 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.86 -85.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.955 . . . . 1.22 109.443 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.26 97.12 1.15 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.434 -1.466 . . . . 1.53 109.434 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.12 56.6 3.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.346 -1.091 . . . . 4.21 109.537 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -49.84 -56.21 18.75 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.253 -0.904 . . . . 5.68 109.879 -179.926 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 3.0 Cg_endo -60.85 121.41 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.86 1.707 . . . . 5.57 110.121 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.469 -1.452 . . . . 7.2 109.469 -179.953 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 46.6 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.63 -0.508 . . . . 8.96 109.63 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.659 ' C ' ' HD2' ' C' ' 322' ' ' PRO . 24.3 tttm 81.62 -52.61 0.26 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.657 -0.497 . . . . 8.15 109.657 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.603 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 0.7 OUTLIER 99.77 -57.33 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.194 0 CA-C-O 118.651 -0.69 . . . . 7.15 111.773 -179.653 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.659 ' HD2' ' C ' ' C' ' 320' ' ' LYS . 3.4 Cg_exo -63.61 155.26 64.05 Favored 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 120.765 0.976 . . . . 4.35 110.236 -179.696 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.04 123.93 28.77 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.367 -0.833 . . . . 4.63 109.505 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.32 -103.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 2.85 109.527 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.54 147.56 43.94 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.68 -1.368 . . . . 1.12 109.68 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.39 138.15 58.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.537 -0.978 . . . . 2.11 109.457 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.54 156.59 16.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.64 109.37 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 75.3 m-85 -140.13 -171.96 3.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.094 -1.004 . . . . 0.49 109.568 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' C' ' 328' ' ' PHE . 7.6 p -153.6 162.92 40.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.47 109.541 -179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.4 tp -149.42 133.75 17.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.42 109.558 -179.787 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.42 131.02 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 1.81 109.54 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.1 mt -123.79 116.69 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 0.42 109.515 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.96 154.04 39.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 2.35 109.551 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.76 138.74 3.17 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.814 -1.314 . . . . 0.41 109.814 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.5 ttt180 -81.86 -50.87 8.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.339 -1.095 . . . . 2.59 109.384 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.22 -46.6 85.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 2.54 109.408 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -41.2 92.8 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.848 . . . . 3.39 109.544 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' C' ' 332' ' ' ILE . 58.1 t80 -55.36 -55.05 36.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 0.47 109.747 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.17 -34.6 23.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 1.66 109.948 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.15 -50.02 72.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.147 -0.971 . . . . 0.61 110.065 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -53.84 51.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.189 -0.944 . . . . 0.33 109.303 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.62 -34.23 25.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.844 . . . . 3.28 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.73 -50.3 74.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.088 -1.007 . . . . 1.78 109.831 -179.706 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.41 -34.72 75.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.38 109.026 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.5 t-20 -58.84 -53.66 55.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.512 -0.742 . . . . 1.2 109.554 179.765 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.79 76.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.398 -0.814 . . . . 2.12 110.12 -179.573 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -53.66 55.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.174 -0.954 . . . . 0.26 110.098 -179.501 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.87 -40.05 91.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.096 -1.003 . . . . 0.4 109.61 -179.581 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.45 -36.39 78.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 2.09 109.565 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.6 -48.16 75.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.75 109.742 -179.773 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.35 -36.97 81.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.357 -0.839 . . . . 2.19 109.134 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.513 -0.742 . . . . 1.34 109.595 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.91 75.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.72 109.487 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -81.31 -1.53 45.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.8 109.668 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.72 -85.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.172 -0.955 . . . . 1.39 109.524 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.1 96.92 1.12 Allowed Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.564 -1.414 . . . . 1.66 109.564 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.02 56.53 3.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -1.154 . . . . 4.45 109.457 -179.83 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.553 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -49.9 -56.13 19.41 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 6.19 109.795 -179.847 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.9 Cg_endo -60.91 121.46 9.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 121.833 1.689 . . . . 5.58 110.172 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 118.005 -1.441 . . . . 6.9 109.591 -179.939 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 46.5 mttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.607 -0.516 . . . . 7.36 109.607 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.661 ' C ' ' HD2' ' D' ' 322' ' ' PRO . 24.1 tttm 81.58 -52.72 0.27 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 109.742 -0.466 . . . . 7.15 109.742 -179.91 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 0.7 OUTLIER 99.8 -57.24 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.149 0 CA-C-O 118.636 -0.697 . . . . 6.5 111.876 -179.656 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.661 ' HD2' ' C ' ' D' ' 320' ' ' LYS . 3.5 Cg_exo -63.65 155.24 64.34 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 120.804 1.003 . . . . 4.5 110.167 -179.757 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.3 mt -81.05 123.85 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.296 -0.877 . . . . 4.32 109.425 179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.39 -103.69 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.088 -1.008 . . . . 2.46 109.454 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.61 147.53 43.78 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.628 -1.389 . . . . 0.97 109.628 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.36 138.12 58.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -1.017 . . . . 1.67 109.567 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -94.57 156.54 16.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.96 . . . . 0.61 109.46 179.873 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 75.2 m-85 -140.13 -172.11 3.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.56 109.644 -179.777 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.6 p -153.39 163.12 40.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.43 109.505 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.2 tp -149.52 133.85 17.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.307 -0.871 . . . . 0.35 109.491 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.57 131.04 34.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.309 -0.87 . . . . 1.37 109.528 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.87 116.64 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.48 109.502 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.87 153.9 39.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 2.08 109.625 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.89 138.69 3.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.802 -1.319 . . . . 0.4 109.802 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.5 ttt180 -81.67 -51.02 8.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -1.133 . . . . 2.64 109.435 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.15 -46.56 85.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 2.22 109.456 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.38 92.81 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.224 -0.922 . . . . 2.74 109.446 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CD1' HD12 ' D' ' 332' ' ' ILE . 57.9 t80 -55.42 -54.88 38.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.822 . . . . 0.43 109.777 -179.811 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 14.7 mt-10 -50.22 -34.68 23.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.69 109.938 -179.713 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.99 -50.18 71.78 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.122 -0.987 . . . . 0.43 110.086 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.4 m-85 -61.06 -53.93 51.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.27 109.317 -179.843 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.6 -34.3 25.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 2.45 109.582 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.58 -50.38 73.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.75 109.78 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' C' ' 344' ' ' LEU . 90.5 mt -61.47 -34.64 75.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.323 -0.861 . . . . 0.31 109.005 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.485 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -58.92 -53.47 58.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.409 -0.807 . . . . 1.22 109.628 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.74 76.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.313 -0.867 . . . . 1.73 110.09 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.02 -53.6 55.91 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 0.28 110.122 -179.471 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.01 -39.89 91.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.183 -0.948 . . . . 0.31 109.677 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.51 -36.38 78.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.91 109.593 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.49 -48.17 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 0.43 109.78 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.4 -37.01 81.9 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 1.57 109.165 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.33 -39.68 76.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.56 -0.712 . . . . 1.44 109.656 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.92 75.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 0.64 109.478 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -81.43 -1.38 45.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.21 109.684 -179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.85 -85.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 1.22 109.5 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.18 97.11 1.14 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.47 -1.452 . . . . 1.5 109.47 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.19 56.7 3.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 4.18 109.46 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.548 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -49.98 -56.13 19.63 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 5.67 109.804 -179.923 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -60.86 121.25 9.41 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 121.922 1.748 . . . . 5.65 110.126 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 118.001 -1.444 . . . . 7.27 109.537 179.981 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.322 0.582 . . . . 7.33 109.528 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 8.8 mttt 60.26 15.69 5.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.922 . . . . 7.21 109.577 179.927 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 7.2 mtpt 58.99 161.58 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 6.47 109.534 179.911 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.05 -156.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.366 2.044 . . . . 4.53 110.318 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.71 167.84 20.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.437 -0.789 . . . . 4.35 109.577 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -79.14 -144.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.48 109.526 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.84 161.94 48.81 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.571 -1.412 . . . . 0.98 109.571 -179.845 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.54 144.02 44.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.28 -1.129 . . . . 1.7 109.592 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.63 158.85 15.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.285 -0.884 . . . . 0.61 109.342 179.821 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.4 m-85 -138.96 -169.35 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.58 109.558 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.505 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 14.7 p -153.69 157.82 40.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.42 109.398 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.5 tp -148.61 132.78 17.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.36 109.632 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 3.2 tt0 -87.01 128.02 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.37 109.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.7 mt -123.77 118.74 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.96 . . . . 0.47 109.691 179.887 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.6 OUTLIER -74.51 148.56 40.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.404 -0.81 . . . . 2.1 109.777 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.67 140.91 11.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.893 -1.283 . . . . 0.42 109.893 179.559 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.0 ttp180 -82.39 -59.24 2.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -1.095 . . . . 2.68 109.379 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.32 -42.48 86.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.862 . . . . 2.22 109.347 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.573 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.22 96.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 2.77 109.058 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.8 t80 -56.18 -56.83 16.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.481 -0.762 . . . . 0.43 109.68 179.773 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.58 -34.44 25.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.425 -0.797 . . . . 1.66 109.737 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -61.91 -48.54 80.01 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.44 109.609 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.515 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -61.34 -50.39 73.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.29 109.171 179.898 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.451 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.3 OUTLIER -51.15 -36.61 41.76 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.399 -0.813 . . . . 2.44 109.488 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.96 . . . . 1.74 109.873 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 78.5 mt -61.82 -45.23 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.3 109.488 -179.779 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.535 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.3 t30 -57.96 -44.69 87.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -0.878 . . . . 1.22 109.595 -179.847 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.54 -38.81 91.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -0.904 . . . . 1.72 109.622 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.11 -49.56 77.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.27 109.868 -179.757 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 42.8 mt -61.41 -41.78 97.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 0.29 109.679 -179.664 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.75 -37.46 81.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.25 -0.906 . . . . 1.91 109.651 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -64.22 -46.06 85.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.41 109.514 -179.653 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.384 -0.823 . . . . 1.56 109.008 179.884 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.64 -36.56 72.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 1.43 109.627 179.857 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.26 75.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.902 . . . . 0.66 109.735 -179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -82.92 -10.08 58.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 1.18 109.598 -179.918 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.25 68.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.921 . . . . 1.23 109.469 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.19 5.28 83.63 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.741 -1.344 . . . . 1.54 109.741 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 20.2 mttt -85.48 150.36 24.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.18 -1.188 . . . . 4.18 109.555 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -48.0 107.1 0.68 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 5.71 109.548 -179.902 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.9 Cg_endo -60.85 133.64 48.99 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.999 1.8 . . . . 5.61 110.159 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.938 -1.479 . . . . 7.24 109.601 179.974 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.408 -0.59 . . . . 7.34 109.408 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 8.8 mttt 60.33 15.66 5.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.882 . . . . 7.17 109.543 179.918 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.407 ' HG2' ' HD2' ' B' ' 322' ' ' PRO . 7.2 mtpt 58.9 161.46 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.352 -0.842 . . . . 6.44 109.551 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' B' ' 321' ' ' LYS . 3.0 Cg_exo -61.0 -156.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.214 1.942 . . . . 4.54 110.405 -179.875 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.84 167.86 20.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 4.32 109.555 -179.841 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.22 -144.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -0.88 . . . . 2.47 109.533 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.4 161.86 47.81 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.623 -1.391 . . . . 0.95 109.623 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.58 144.02 44.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -1.167 . . . . 1.61 109.588 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.62 158.87 15.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.57 109.33 179.802 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.3 m-85 -138.92 -169.33 2.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.53 109.5 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 14.6 p -153.64 157.75 40.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 0.38 109.482 -179.792 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.6 tp -148.59 132.92 17.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.36 109.552 -179.925 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 3.2 tt0 -87.1 128.01 35.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.36 109.507 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.519 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.8 mt -123.73 118.84 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -0.983 . . . . 0.49 109.718 179.876 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER -74.64 148.74 40.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.52 140.98 10.97 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.964 -1.255 . . . . 0.44 109.964 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 36.0 ttp180 -82.48 -59.26 2.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.391 -1.064 . . . . 2.72 109.363 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.34 -42.69 87.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 2.21 109.254 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.566 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.26 -44.23 95.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 2.79 109.11 179.941 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.5 t80 -56.27 -56.83 16.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.546 -0.721 . . . . 0.45 109.656 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -50.52 -34.37 25.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.822 . . . . 1.68 109.731 -179.723 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.03 -48.42 80.34 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.228 -0.92 . . . . 0.43 109.637 -179.602 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -61.42 -50.39 73.03 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.236 -0.915 . . . . 0.28 109.157 179.834 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.3 OUTLIER -51.12 -36.6 41.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 2.52 109.46 179.829 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.89 -45.03 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.935 . . . . 1.75 109.783 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 79.1 mt -61.73 -45.23 94.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.31 109.609 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.53 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.2 t30 -57.89 -44.71 86.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.91 . . . . 1.21 109.692 -179.928 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.55 -38.63 90.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.69 109.649 -179.825 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.4 -49.39 77.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.345 -0.847 . . . . 0.27 109.837 -179.691 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.56 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 42.9 mt -61.46 -41.78 97.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.276 -0.89 . . . . 0.3 109.615 -179.728 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.89 -37.39 82.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.93 109.673 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.666 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -64.25 -46.08 85.35 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.419 -0.801 . . . . 0.4 109.586 -179.768 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -61.59 -38.4 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.371 -0.831 . . . . 1.59 109.003 179.855 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.64 72.17 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.548 -0.72 . . . . 1.43 109.643 179.749 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.37 75.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.65 109.685 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.474 ' OE1' HD11 ' A' ' 350' ' ' LEU . 44.2 mt-30 -82.89 -10.08 59.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.164 -0.96 . . . . 1.19 109.516 -179.795 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.17 68.8 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.177 -0.952 . . . . 1.22 109.568 179.841 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 5.27 83.71 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.768 -1.333 . . . . 1.53 109.768 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.427 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 20.1 mttt -85.62 150.39 24.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -1.17 . . . . 4.21 109.526 -179.894 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -47.91 107.04 0.67 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 5.68 109.458 -179.849 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.9 Cg_endo -60.82 133.48 48.16 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 121.998 1.799 . . . . 5.57 110.205 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.977 -1.457 . . . . 7.2 109.579 179.978 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.451 -0.574 . . . . 8.96 109.451 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 8.8 mttt 60.36 15.56 5.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 8.15 109.558 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' C' ' 320' ' ' LYS . 7.3 mtpt 58.97 161.46 0.09 OUTLIER Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 7.15 109.584 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.99 -156.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.324 2.016 . . . . 4.35 110.377 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.81 167.96 19.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 4.63 109.562 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -79.31 -144.25 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 2.85 109.425 -179.845 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.46 161.84 47.98 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.662 -1.375 . . . . 1.12 109.662 -179.834 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -58.55 143.97 44.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -1.11 . . . . 2.11 109.668 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -93.65 158.95 15.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.876 . . . . 0.64 109.335 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -138.99 -169.32 2.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.49 109.491 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 14.8 p -153.65 157.81 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.47 109.501 -179.793 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.4 tp -148.64 132.89 17.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.42 109.581 -179.923 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 3.2 tt0 -87.04 127.96 35.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 1.81 109.584 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.67 118.84 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.42 109.67 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.6 OUTLIER -74.59 148.63 40.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.36 -0.837 . . . . 2.35 109.77 179.945 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.54 140.89 10.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.964 -1.255 . . . . 0.41 109.964 179.622 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.0 ttp180 -82.27 -59.32 2.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.38 -1.07 . . . . 2.59 109.416 179.823 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -58.32 -42.5 86.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 2.54 109.317 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.14 96.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.245 -0.909 . . . . 3.39 109.029 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.5 t80 -56.35 -56.75 17.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.538 -0.726 . . . . 0.47 109.628 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.59 -34.32 25.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 1.66 109.812 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -61.96 -48.41 80.49 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.218 -0.926 . . . . 0.61 109.72 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.46 -50.41 72.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.33 109.074 179.856 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.447 ' NH1' ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.11 -36.63 41.41 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.351 -0.843 . . . . 3.28 109.495 179.877 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.78 -45.04 95.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.78 109.838 -179.85 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' D' ' 344' ' ' LEU . 78.4 mt -61.76 -45.26 94.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.38 109.521 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.1 t30 -57.87 -44.72 86.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.2 109.751 -179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.55 -38.6 90.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 2.12 109.641 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.47 77.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.335 -0.853 . . . . 0.26 109.89 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 42.8 mt -61.35 -41.87 97.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.41 -0.807 . . . . 0.4 109.654 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.77 -37.35 81.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 2.09 109.657 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.658 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -64.32 -46.11 84.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.417 -0.802 . . . . 0.75 109.502 -179.655 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -61.52 -38.53 87.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 2.19 108.966 179.931 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.651 -0.655 . . . . 1.34 109.695 179.746 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.33 75.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 0.72 109.628 -179.708 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.484 ' OE1' HD11 ' D' ' 350' ' ' LEU . 44.0 mt-30 -82.82 -10.12 59.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 1.8 109.639 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.18 68.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.212 -0.93 . . . . 1.39 109.496 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.18 5.21 83.86 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.727 -1.349 . . . . 1.66 109.727 -179.88 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 20.3 mttt -85.51 150.37 24.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.219 -1.165 . . . . 4.45 109.615 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -47.99 107.16 0.69 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.445 -0.784 . . . . 6.19 109.532 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.0 Cg_endo -60.91 133.52 48.08 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.02 1.813 . . . . 5.58 110.164 179.895 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.042 -1.421 . . . . 6.9 109.599 -179.905 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.444 -0.576 . . . . 7.36 109.444 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 8.7 mttt 60.33 15.66 5.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 7.15 109.559 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' D' ' 320' ' ' LYS . 7.3 mtpt 58.91 161.49 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 6.5 109.627 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.95 -156.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.217 1.944 . . . . 4.5 110.445 -179.941 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.65 167.97 19.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.318 -0.864 . . . . 4.32 109.569 -179.913 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -79.36 -144.15 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 2.46 109.44 -179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 161.89 48.29 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.595 -1.402 . . . . 0.97 109.595 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.6 143.89 44.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.246 -1.15 . . . . 1.67 109.557 -179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.49 158.95 15.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.61 109.324 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.7 m-85 -139.01 -169.44 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.214 -0.929 . . . . 0.56 109.539 -179.91 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 14.9 p -153.63 157.73 40.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 0.43 109.507 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.5 tp -148.52 132.85 17.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.35 109.647 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 3.2 tt0 -87.06 128.1 35.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.37 109.475 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -123.8 118.74 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.48 109.7 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.6 OUTLIER -74.5 148.73 40.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.08 109.68 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.487 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.55 140.83 10.89 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.4 109.904 179.488 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 36.0 ttp180 -82.35 -59.21 2.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.282 -1.129 . . . . 2.64 109.414 179.857 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -58.42 -42.59 87.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 2.22 109.274 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.56 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.35 -44.22 95.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.389 -0.819 . . . . 2.74 109.061 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.4 t80 -56.3 -56.72 17.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.53 -0.731 . . . . 0.43 109.645 179.932 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -50.63 -34.38 25.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.69 109.73 -179.716 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -62.02 -48.44 80.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.15 -0.968 . . . . 0.43 109.682 -179.668 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -61.37 -50.36 73.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.266 -0.896 . . . . 0.27 109.188 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.448 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.3 OUTLIER -51.19 -36.57 41.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.416 -0.803 . . . . 2.45 109.5 179.804 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -45.03 95.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 1.75 109.825 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' C' ' 344' ' ' LEU . 79.0 mt -61.76 -45.3 94.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.31 109.535 -179.78 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.3 t30 -57.9 -44.75 86.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 1.22 109.664 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.53 -38.64 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.281 -0.887 . . . . 1.73 109.625 -179.842 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.35 -49.48 77.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.291 -0.881 . . . . 0.28 109.9 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 42.7 mt -61.31 -41.88 97.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.881 . . . . 0.31 109.637 -179.769 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.9 -37.34 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 1.91 109.609 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -64.29 -45.97 85.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.43 109.532 -179.683 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.36 -0.838 . . . . 1.57 109.031 179.841 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.45 71.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.568 -0.708 . . . . 1.44 109.596 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.3 75.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.64 109.647 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -82.81 -10.26 58.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.934 . . . . 1.21 109.583 -179.914 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.32 69.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 1.22 109.414 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 5.19 83.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.79 -1.324 . . . . 1.5 109.79 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 20.3 mttt -85.47 150.33 24.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.137 -1.214 . . . . 4.18 109.576 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -47.91 107.11 0.68 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 5.67 109.456 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.8 Cg_endo -60.83 133.56 48.57 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 121.958 1.772 . . . . 5.65 110.27 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.577 -1.409 . . . . 7.27 109.577 -179.956 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.435 -0.58 . . . . 7.33 109.435 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.32 102.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.26 -0.9 . . . . 7.21 109.343 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.539 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 55.9 mttt 57.78 60.41 6.37 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.234 -0.916 . . . . 6.47 109.194 -179.813 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -61.92 84.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.192 1.928 . . . . 4.53 110.504 -179.662 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.14 110.82 15.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 4.35 108.999 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.61 97.83 8.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.154 -0.966 . . . . 2.48 109.902 -179.69 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.413 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -73.42 158.43 52.64 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.302 -1.519 . . . . 0.98 109.302 179.268 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.64 123.29 15.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.255 . . . . 1.7 108.787 179.381 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 62.7 m-85 -92.13 148.13 22.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.61 109.943 -179.501 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 66.2 m-85 -138.29 -168.14 2.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.41 -0.807 . . . . 0.58 109.216 179.935 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 37.3 p -153.48 157.73 40.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.42 109.29 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.75 131.35 14.89 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.299 -0.876 . . . . 0.36 109.582 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.9 tt0 -86.38 131.0 34.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 1.37 109.195 179.768 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.4 mt -123.89 118.36 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.185 -0.947 . . . . 0.47 109.552 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.72 151.39 40.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -0.832 . . . . 2.1 109.445 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.95 135.15 4.25 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.672 -1.371 . . . . 0.42 109.672 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.38 -51.23 9.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 2.68 109.522 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.14 -45.7 86.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.8 . . . . 2.22 109.42 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 1.4 ttt180 -60.29 -41.2 92.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.307 -0.87 . . . . 2.77 109.491 -179.811 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.458 ' CD1' HD12 ' A' ' 332' ' ' ILE . 83.3 t80 -55.02 -55.0 35.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.458 -0.776 . . . . 0.43 109.664 -179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -51.05 -37.1 43.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 1.66 109.93 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.0 -50.47 70.62 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.191 -0.943 . . . . 0.44 110.182 -179.242 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 34.2 m-85 -60.17 -55.56 32.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.29 109.232 -179.687 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.58 -36.19 33.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.486 -0.759 . . . . 2.44 109.632 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.92 -45.0 96.41 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.115 -0.991 . . . . 1.74 109.758 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 344' ' ' LEU . 91.2 mt -61.2 -43.96 98.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.836 . . . . 0.3 109.458 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 41.3 t30 -58.24 -46.01 86.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.22 109.811 -179.858 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -38.68 91.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 1.72 110.03 -179.637 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.13 -53.91 52.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.27 110.038 -179.556 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.501 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 25.8 mt -60.68 -40.75 93.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.29 109.648 -179.59 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 349' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 11.1 mt-10 -59.84 -35.91 75.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 1.91 109.422 179.844 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.63 -45.9 84.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 0.41 109.213 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.29 -37.44 83.2 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.406 -0.809 . . . . 1.56 108.858 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -57.7 -32.66 67.59 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.602 -0.686 . . . . 1.43 109.472 179.644 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.04 85.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.66 109.333 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.51 -3.24 52.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 1.18 109.59 179.773 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.85 -82.59 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.91 . . . . 1.23 109.494 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.25 91.52 0.06 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.57 -1.412 . . . . 1.54 109.57 179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -162.38 0.73 Allowed 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.259 -1.142 . . . . 4.18 109.468 -179.904 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.53 0.86 Allowed Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.189 -0.944 . . . . 5.71 109.401 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.69 107.95 0.57 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.054 1.836 . . . . 5.61 110.141 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.957 -1.468 . . . . 7.24 109.514 -179.876 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.413 -0.588 . . . . 7.34 109.413 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.36 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.943 . . . . 7.17 109.357 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 56.0 mttt 57.87 60.37 6.28 Favored Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 6.44 109.19 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -61.87 84.68 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.316 2.011 . . . . 4.54 110.486 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.11 110.65 15.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 4.32 109.013 179.503 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -81.42 98.61 8.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.134 -0.979 . . . . 2.47 109.917 -179.833 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -74.82 158.48 51.35 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.18 -1.568 . . . . 0.95 109.18 179.557 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.42 123.16 14.51 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.001 -1.294 . . . . 1.61 108.815 179.723 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.427 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 62.7 m-85 -92.1 148.18 22.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.57 109.84 -179.438 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 66.2 m-85 -138.3 -168.17 2.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.393 -0.817 . . . . 0.53 109.257 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.436 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.0 p -153.52 157.72 40.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.38 109.282 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.72 131.4 14.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.189 -0.945 . . . . 0.36 109.569 -179.83 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.9 tt0 -86.35 130.9 34.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.322 -0.861 . . . . 1.36 109.218 179.744 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' B' ' 338' ' ' PHE . 38.9 mt -123.82 118.35 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.49 109.582 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.78 151.14 40.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.368 -0.833 . . . . 2.1 109.576 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.34 135.18 4.46 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.623 -1.391 . . . . 0.44 109.623 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.37 -51.3 9.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 2.72 109.518 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.15 -45.64 87.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 2.21 109.341 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.456 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.4 ttt180 -60.46 -41.12 93.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.275 -0.891 . . . . 2.79 109.477 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' B' ' 332' ' ' ILE . 83.5 t80 -55.07 -55.01 35.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.338 -0.851 . . . . 0.45 109.68 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -51.03 -37.06 43.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 1.68 109.873 -179.773 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.03 -50.48 70.49 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.208 -0.932 . . . . 0.43 110.224 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 34.6 m-85 -60.1 -55.64 31.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.28 109.235 -179.745 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.54 -36.19 33.16 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.418 -0.801 . . . . 2.52 109.605 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.88 -44.99 96.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.75 109.813 -179.756 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 344' ' ' LEU . 91.3 mt -61.34 -43.79 98.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.214 -0.929 . . . . 0.31 109.474 -179.859 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.29 -45.98 86.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.867 . . . . 1.21 109.813 -179.922 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.83 92.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 1.69 110.011 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.96 -53.84 53.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.878 . . . . 0.27 110.093 -179.64 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.445 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 25.8 mt -60.67 -40.89 93.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.3 109.552 -179.586 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.83 -35.94 75.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.953 . . . . 1.93 109.435 179.879 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.51 -46.01 84.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.3 -0.875 . . . . 0.4 109.281 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.853 -0.795 . . . . 1.59 108.853 179.656 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.58 -32.66 67.38 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.558 -0.714 . . . . 1.43 109.47 179.629 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.98 85.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.892 . . . . 0.65 109.326 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -81.59 -3.23 52.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.883 . . . . 1.19 109.488 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 -82.55 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.124 -0.985 . . . . 1.22 109.424 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.2 91.43 0.06 OUTLIER Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.507 -1.437 . . . . 1.53 109.507 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -162.39 0.73 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.333 -1.098 . . . . 4.21 109.446 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.85 158.59 0.86 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 5.68 109.404 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.62 107.84 0.56 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.196 1.931 . . . . 5.57 110.107 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.037 -1.424 . . . . 7.2 109.544 179.988 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.475 -0.565 . . . . 8.96 109.475 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.23 102.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.156 -0.965 . . . . 8.15 109.39 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.525 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 55.8 mttt 57.94 60.27 6.25 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 7.15 109.183 -179.786 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -61.76 84.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.264 1.976 . . . . 4.35 110.581 -179.718 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.23 110.8 16.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 4.63 109.001 179.595 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.53 98.11 8.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.112 -0.992 . . . . 2.85 109.946 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -73.99 158.55 52.18 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.28 -1.528 . . . . 1.12 109.28 179.387 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.66 123.12 14.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.082 -1.246 . . . . 2.11 108.832 179.602 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 63.0 m-85 -92.02 148.17 22.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.073 -1.017 . . . . 0.64 109.895 -179.406 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 66.1 m-85 -138.33 -168.13 2.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.486 -0.759 . . . . 0.49 109.29 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 37.2 p -153.51 157.8 40.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.47 109.262 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.83 131.35 14.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.275 -0.891 . . . . 0.42 109.536 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.93 34.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 1.81 109.175 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' C' ' 338' ' ' PHE . 38.2 mt -123.74 118.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.958 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.71 151.27 40.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 2.35 109.512 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.13 135.16 4.35 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.684 -1.367 . . . . 0.41 109.684 179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.47 -51.21 9.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -1.22 . . . . 2.59 109.498 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.18 -45.72 87.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.851 . . . . 2.54 109.44 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.4 ttt180 -60.33 -41.1 92.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.347 -0.845 . . . . 3.39 109.491 -179.772 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' C' ' 332' ' ' ILE . 83.0 t80 -55.1 -55.08 35.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.376 -0.827 . . . . 0.47 109.628 -179.869 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.9 -37.21 42.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 1.66 109.969 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.83 -50.53 70.61 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.296 -0.878 . . . . 0.61 110.304 -179.331 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 35.0 m-85 -59.95 -55.62 31.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.922 . . . . 0.33 109.331 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.73 -36.12 34.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.441 -0.787 . . . . 3.28 109.615 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -60.8 -45.08 95.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 1.78 109.781 -179.782 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.24 -43.94 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.882 . . . . 0.38 109.431 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' C' ' 349' ' ' GLU . 41.4 t30 -58.26 -45.87 87.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 1.2 109.897 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.75 92.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 2.12 110.021 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.81 54.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.26 110.024 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 25.9 mt -60.76 -40.87 94.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.4 109.537 -179.555 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 11.1 mt-10 -59.74 -35.97 75.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -0.883 . . . . 2.09 109.457 179.833 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.684 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.62 -45.8 85.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -0.838 . . . . 0.75 109.34 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.6 ttmt -61.24 -37.58 83.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.393 -0.817 . . . . 2.19 108.904 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.54 -32.77 67.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.56 -0.712 . . . . 1.34 109.464 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.07 85.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 0.72 109.37 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -81.58 -3.22 52.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 1.8 109.498 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.95 -82.51 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 1.39 109.525 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.33 91.54 0.06 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.559 -1.416 . . . . 1.66 109.559 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.78 -162.49 0.74 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.204 -1.174 . . . . 4.45 109.52 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.43 0.88 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.215 -0.928 . . . . 6.19 109.417 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.41 107.79 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.185 1.923 . . . . 5.58 110.084 179.839 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.967 -1.463 . . . . 6.9 109.62 179.973 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.55 -0.537 . . . . 7.36 109.55 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.29 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 7.15 109.418 -179.834 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 55.7 mttt 57.87 60.23 6.35 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.104 -0.997 . . . . 6.5 109.215 -179.775 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.1 Cg_endo -61.67 84.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.318 2.012 . . . . 4.5 110.595 -179.739 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.1 110.78 15.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 4.32 109.067 179.537 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.6 98.19 8.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.13 -0.982 . . . . 2.46 109.811 -179.642 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -74.06 158.46 52.04 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.213 -1.555 . . . . 0.97 109.213 179.398 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.55 123.32 15.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.028 -1.277 . . . . 1.67 108.78 179.554 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 63.2 m-85 -92.22 148.03 22.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.111 -0.993 . . . . 0.61 109.816 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 65.6 m-85 -138.21 -168.14 2.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.822 . . . . 0.56 109.19 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.3 p -153.47 157.67 40.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.223 -0.923 . . . . 0.43 109.328 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.72 131.37 14.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.237 -0.914 . . . . 0.35 109.539 -179.797 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.98 34.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.358 -0.838 . . . . 1.37 109.183 179.809 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.445 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.84 118.3 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.1 -1.0 . . . . 0.48 109.55 -179.917 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.71 151.22 40.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.36 -0.837 . . . . 2.08 109.497 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.18 135.17 4.38 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.43 -51.24 9.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -1.134 . . . . 2.64 109.522 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.11 -45.7 86.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.389 -0.82 . . . . 2.22 109.456 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 1.4 ttt180 -60.41 -41.09 93.19 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.293 -0.879 . . . . 2.74 109.472 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' D' ' 332' ' ' ILE . 83.3 t80 -55.0 -55.14 34.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.36 -0.837 . . . . 0.43 109.636 -179.846 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.95 -37.09 42.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.69 109.97 -179.765 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.94 -50.51 70.52 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.259 -0.901 . . . . 0.43 110.213 -179.287 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.445 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 34.7 m-85 -60.04 -55.55 32.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.191 -0.943 . . . . 0.27 109.34 -179.795 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.64 -36.14 33.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 2.45 109.628 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -60.93 -44.94 96.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.75 109.833 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' C' ' 344' ' ' LEU . 91.5 mt -61.31 -43.85 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.31 109.408 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' D' ' 349' ' ' GLU . 41.3 t30 -58.28 -46.03 86.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.79 -179.833 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.67 91.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 1.73 110.023 -179.648 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -53.83 53.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.868 . . . . 0.28 109.997 -179.49 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 25.3 mt -60.61 -40.8 93.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.253 -0.904 . . . . 0.31 109.705 -179.636 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 11.2 mt-10 -59.87 -35.88 75.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 1.91 109.468 179.819 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.66 -45.88 84.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.43 109.238 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.6 ttmt -61.23 -37.62 83.7 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.445 -0.785 . . . . 1.57 108.887 179.634 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.65 -32.64 67.48 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.551 -0.718 . . . . 1.44 109.472 179.673 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.1 85.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.64 109.365 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.54 -3.24 52.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 1.21 109.519 179.853 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.89 -82.54 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.882 . . . . 1.22 109.463 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.32 91.54 0.06 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.474 -1.45 . . . . 1.5 109.474 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -162.49 0.74 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.249 -1.148 . . . . 4.18 109.445 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.52 0.86 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 5.67 109.453 179.933 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.51 107.87 0.55 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.088 1.859 . . . . 5.65 110.171 179.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.978 -1.456 . . . . 7.27 109.49 -179.869 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.437 -0.579 . . . . 7.33 109.437 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 10.0 tptt 58.94 91.75 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.231 -0.918 . . . . 7.21 109.23 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.732 ' CB ' ' CD ' ' A' ' 322' ' ' PRO . 17.1 mmtt 34.79 -91.11 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.855 0 CA-C-O 118.549 -0.739 . . . . 6.47 110.816 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.732 ' CD ' ' CB ' ' A' ' 321' ' ' LYS . 5.6 Cg_exo -53.65 141.87 62.75 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 CA-C-N 119.736 0.942 . . . . 4.53 110.416 179.743 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.89 139.93 35.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 4.35 109.546 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.74 -134.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.31 -0.869 . . . . 2.48 109.152 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.21 158.03 51.07 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.338 -1.505 . . . . 0.98 109.338 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.18 130.0 44.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -1.205 . . . . 1.7 109.357 -179.74 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 16.9 m-85 -92.98 158.35 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.61 109.451 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.2 m-85 -139.38 -169.79 2.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.187 -0.946 . . . . 0.58 109.358 -179.898 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.1 p -153.56 160.06 42.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.047 -1.033 . . . . 0.42 109.565 -179.723 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.89 129.62 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 0.36 109.503 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -86.92 128.15 35.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 1.37 109.646 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.494 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.1 mt -123.87 119.65 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.47 109.668 179.818 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -73.49 149.79 42.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 2.1 109.589 179.873 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 89.37 130.46 3.95 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.769 -1.333 . . . . 0.42 109.769 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 ttp180 -76.93 -51.76 10.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -1.063 . . . . 2.68 109.504 179.902 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.05 -46.86 87.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 2.22 109.49 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.1 ttt180 -61.6 -42.8 99.39 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.255 -0.903 . . . . 2.77 109.452 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.3 t80 -55.46 -56.89 14.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.52 -0.737 . . . . 0.43 109.936 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.64 -32.98 20.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.66 109.909 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.7 -49.8 73.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.972 . . . . 0.44 109.925 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 25.8 m-85 -61.34 -47.69 84.74 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.16 -0.963 . . . . 0.29 109.116 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.22 -41.25 60.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.411 -0.806 . . . . 2.44 109.552 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.08 -42.96 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.74 109.976 -179.712 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.33 -45.06 94.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.3 109.531 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.403 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 49.1 t30 -57.9 -46.0 85.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 1.22 109.767 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.8 -37.56 84.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 1.72 109.731 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.64 -45.32 94.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.27 109.908 -179.794 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.716 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 12.7 mt -61.61 -46.15 91.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.212 -0.93 . . . . 0.29 109.783 -179.621 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -39.17 83.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.91 109.958 -179.885 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.8 tp -63.57 -43.46 96.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.41 109.762 -179.682 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 1.56 108.834 179.819 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.6 -34.03 64.48 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.425 -0.797 . . . . 1.43 109.507 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.4 80.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.66 109.491 179.936 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -82.1 5.59 19.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 1.18 109.823 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -79.69 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.965 . . . . 1.23 109.415 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.29 73.37 2.5 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.732 -1.347 . . . . 1.54 109.732 -179.94 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -88.75 20.34 3.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.221 -1.164 . . . . 4.18 109.703 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -49.69 152.09 2.69 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.156 -0.965 . . . . 5.71 109.636 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.72 153.61 66.23 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.228 1.952 . . . . 5.61 110.142 -179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 CA-C-O 117.995 -1.447 . . . . 7.24 109.534 179.982 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.428 -0.582 . . . . 7.34 109.428 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.555 ' O ' ' HD2' ' B' ' 322' ' ' PRO . 10.0 tptt 58.85 91.68 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.262 -0.899 . . . . 7.17 109.307 -179.838 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.719 ' CB ' ' CD ' ' B' ' 322' ' ' PRO . 17.1 mmtt 34.85 -91.17 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.851 0 CA-C-O 118.503 -0.76 . . . . 6.44 110.819 -179.835 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.719 ' CD ' ' CB ' ' B' ' 321' ' ' LYS . 5.6 Cg_exo -53.8 141.81 64.62 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 CA-C-N 119.763 0.951 . . . . 4.54 110.395 179.854 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -80.75 139.98 35.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.331 -0.856 . . . . 4.32 109.473 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.81 -135.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 2.47 109.089 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.66 158.19 49.78 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.366 -1.494 . . . . 0.95 109.366 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.43 130.12 45.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -1.179 . . . . 1.61 109.414 -179.889 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 17.2 m-85 -93.1 158.33 15.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.338 -0.851 . . . . 0.57 109.403 -179.957 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.2 m-85 -139.31 -169.67 2.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.53 109.51 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.3 p -153.58 160.1 42.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.004 . . . . 0.38 109.646 -179.732 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.7 tp -148.94 129.71 14.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.36 109.453 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -87.0 128.28 35.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 1.36 109.545 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.498 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.0 mt -124.02 119.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.49 109.561 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -73.63 149.89 41.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.1 109.47 179.92 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 89.36 130.5 3.96 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.706 -1.358 . . . . 0.44 109.706 179.719 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.2 ttp180 -76.94 -51.81 10.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -1.104 . . . . 2.72 109.431 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.84 87.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 2.21 109.588 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.1 ttt180 -61.52 -42.85 99.42 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 2.79 109.448 -179.845 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.498 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.9 t80 -55.56 -56.86 15.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 0.45 109.838 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.57 -33.02 20.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.68 109.893 -179.669 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.109 -0.994 . . . . 0.43 109.847 -179.609 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.675 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 25.6 m-85 -61.31 -47.69 84.79 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.28 109.12 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.21 -41.31 60.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.384 -0.822 . . . . 2.52 109.526 179.829 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.17 -42.83 95.82 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 1.75 109.923 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.29 -45.13 94.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.31 109.576 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.88 -45.96 85.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.883 . . . . 1.21 109.821 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.8 -37.58 84.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.935 . . . . 1.69 109.742 -179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.6 -45.23 94.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.27 109.948 -179.84 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.717 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 12.7 mt -61.67 -46.12 91.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.3 109.807 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.57 -39.24 83.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 1.93 109.948 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 16.3 tp -63.45 -43.55 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.4 109.76 -179.741 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.57 -39.03 89.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 1.59 108.853 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.56 -34.16 64.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 1.43 109.471 179.747 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.44 80.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.65 109.433 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -82.03 5.5 19.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.19 109.749 -179.816 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.29 -79.56 0.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.142 -0.974 . . . . 1.22 109.514 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.45 73.21 2.54 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.718 -1.353 . . . . 1.53 109.718 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -88.57 20.29 3.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.15 -1.206 . . . . 4.21 109.741 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.68 152.15 2.65 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.163 -0.96 . . . . 5.68 109.563 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.63 153.58 66.06 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.242 1.961 . . . . 5.57 110.166 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.516 -1.434 . . . . 7.2 109.516 179.909 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 33.0 mttt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.483 -0.562 . . . . 8.96 109.483 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.545 ' O ' ' HD2' ' C' ' 322' ' ' PRO . 10.1 tptt 59.03 91.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 8.15 109.178 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.731 ' CB ' ' CD ' ' C' ' 322' ' ' PRO . 17.1 mmtt 34.79 -90.99 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.814 0 CA-C-O 118.522 -0.751 . . . . 7.15 110.892 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.731 ' CD ' ' CB ' ' C' ' 321' ' ' LYS . 5.5 Cg_exo -53.69 141.91 63.08 Favored 'Trans proline' 0 C--O 1.216 -0.624 0 CA-C-N 119.731 0.94 . . . . 4.35 110.456 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.85 139.85 35.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.382 -0.824 . . . . 4.63 109.476 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.72 -134.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.259 -0.9 . . . . 2.85 109.074 179.786 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.03 158.03 50.86 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.303 -1.519 . . . . 1.12 109.303 179.971 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.15 130.06 44.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -1.155 . . . . 2.11 109.414 -179.793 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 17.0 m-85 -93.02 158.4 15.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -0.883 . . . . 0.64 109.486 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.2 m-85 -139.39 -169.73 2.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.203 -0.936 . . . . 0.49 109.45 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.2 p -153.63 160.03 42.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.194 -0.941 . . . . 0.47 109.661 -179.756 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.84 129.81 14.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 0.42 109.46 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.12 128.1 35.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.81 109.531 -179.919 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.5 mt -123.86 119.72 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.148 -0.97 . . . . 0.42 109.618 179.8 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -73.57 149.82 41.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 2.35 109.458 179.941 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 89.32 130.47 3.93 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.779 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.2 ttp180 -76.8 -51.82 10.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -1.154 . . . . 2.59 109.483 179.85 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.04 -46.81 87.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 2.54 109.579 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttt180 -61.64 -42.82 99.43 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.327 -0.858 . . . . 3.39 109.469 -179.837 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.9 t80 -55.5 -56.9 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.372 -0.83 . . . . 0.47 109.83 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.54 -33.09 20.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.332 -0.855 . . . . 1.66 110.013 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.65 -49.78 73.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.093 -1.004 . . . . 0.61 109.919 -179.654 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.716 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 25.5 m-85 -61.45 -47.67 84.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.33 109.094 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.11 -41.35 59.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.354 -0.842 . . . . 3.28 109.592 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.11 -42.92 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 1.78 109.941 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' C' ' 344' ' ' LEU . 87.6 mt -62.34 -45.03 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.38 109.578 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -57.92 -46.01 85.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.848 . . . . 1.2 109.727 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 5.1 mt-10 -61.92 -37.32 84.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.12 109.759 -179.644 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -45.27 94.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.26 109.969 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.701 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 12.6 mt -61.75 -46.13 90.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.253 -0.905 . . . . 0.4 109.788 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.39 -39.27 82.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 2.09 109.92 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.3 tp -63.54 -43.53 96.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.75 109.691 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.55 -39.02 89.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.27 -0.894 . . . . 2.19 108.898 179.831 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.65 -34.04 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 1.34 109.457 179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.37 80.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.72 109.424 -179.961 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -82.11 5.7 18.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.326 -0.859 . . . . 1.8 109.837 -179.895 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -79.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.973 . . . . 1.39 109.457 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.28 73.23 2.51 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.726 -1.35 . . . . 1.66 109.726 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -88.62 20.23 3.54 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.289 -1.124 . . . . 4.45 109.798 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -49.65 152.04 2.68 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.089 -1.007 . . . . 6.19 109.695 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.66 153.56 66.31 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.225 1.95 . . . . 5.58 110.226 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.975 -1.458 . . . . 6.9 109.545 179.958 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.397 -0.594 . . . . 7.36 109.397 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.566 ' O ' ' HD2' ' D' ' 322' ' ' PRO . 9.9 tptt 58.9 91.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 7.15 109.267 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.728 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 17.0 mmtt 34.73 -91.07 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.844 0 CA-C-O 118.513 -0.756 . . . . 6.5 110.845 -179.777 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.728 ' CD ' ' CB ' ' D' ' 321' ' ' LYS . 5.5 Cg_exo -53.6 141.86 62.16 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 CA-C-N 119.688 0.924 . . . . 4.5 110.502 179.706 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.96 139.97 35.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.838 . . . . 4.32 109.444 179.901 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.78 -134.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 2.46 109.039 179.933 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.428 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -66.92 157.96 50.66 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.347 -1.501 . . . . 0.97 109.347 179.885 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.08 129.96 44.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -1.179 . . . . 1.67 109.495 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 17.1 m-85 -93.01 158.48 15.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 0.61 109.444 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -139.44 -169.82 2.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -0.887 . . . . 0.56 109.408 -179.885 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.1 p -153.54 160.13 42.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.43 109.716 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -148.92 129.67 14.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.35 109.421 -179.809 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.7 tp60 -86.97 128.17 35.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 1.37 109.55 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.4 mt -123.96 119.61 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.48 109.584 179.81 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.495 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -73.51 149.84 41.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.933 . . . . 2.08 109.517 179.832 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 89.39 130.22 3.88 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.824 -1.31 . . . . 0.4 109.824 179.751 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.2 ttp180 -76.7 -51.78 10.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -1.111 . . . . 2.64 109.518 179.917 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.71 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 2.22 109.571 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.1 ttt180 -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.339 -0.851 . . . . 2.74 109.433 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' D' ' 332' ' ' ILE . 46.0 t80 -55.54 -56.9 14.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.43 109.832 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.49 -33.2 20.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 1.69 109.882 -179.64 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.58 -49.96 73.2 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.112 -0.993 . . . . 0.43 109.906 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.717 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 25.7 m-85 -61.29 -47.62 85.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.27 109.192 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.16 -41.36 60.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 2.45 109.579 179.748 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.14 -42.78 95.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.75 110.011 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 344' ' ' LEU . 88.0 mt -62.36 -45.16 94.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.31 109.547 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 49.1 t30 -57.84 -45.97 85.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.37 -0.831 . . . . 1.22 109.765 -179.939 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.8 -37.5 84.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.216 -0.927 . . . . 1.73 109.754 -179.748 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.64 -45.34 94.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.877 . . . . 0.28 109.943 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 12.8 mt -61.63 -46.1 91.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.327 -0.858 . . . . 0.31 109.863 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.21 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 1.91 109.895 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 16.0 tp -63.63 -43.51 96.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 0.43 109.718 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 12.3 ttmm -61.5 -39.02 89.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 1.57 108.897 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.53 -34.2 64.46 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.593 -0.692 . . . . 1.44 109.47 179.717 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.24 80.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.64 109.528 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -82.16 5.67 18.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.858 . . . . 1.21 109.828 -179.935 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.38 -79.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 1.22 109.364 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.21 73.17 2.51 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.785 -1.326 . . . . 1.5 109.785 -179.874 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -88.65 20.3 3.51 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.191 -1.182 . . . . 4.18 109.728 -179.841 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -49.71 151.99 2.76 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.99 . . . . 5.67 109.688 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.47 153.49 65.89 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.289 1.992 . . . . 5.65 110.209 179.979 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.007 -1.44 . . . . 7.27 109.57 179.867 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.259 -0.645 . . . . 7.33 109.259 . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 9.9 mttt 77.44 -29.51 0.17 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 7.21 110.586 -179.869 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' CG ' HD21 ' A' ' 323' ' ' LEU . 19.2 tttt 58.35 66.77 2.45 Favored Pre-proline 0 N--CA 1.487 1.392 0 O-C-N 120.763 -1.211 . . . . 6.47 109.376 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.4 86.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.067 1.844 . . . . 4.53 110.427 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.44 HD21 ' CG ' ' A' ' 321' ' ' LYS . 17.3 mt -84.99 43.61 1.01 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 4.35 109.803 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.5 -163.79 0.56 Allowed 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.377 -0.827 . . . . 2.48 109.585 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 166.74 45.03 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.583 -1.407 . . . . 0.98 109.583 -179.799 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -58.74 141.76 51.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -1.095 . . . . 1.7 109.563 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -93.81 154.26 17.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.362 -0.837 . . . . 0.61 109.35 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 67.6 m-85 -138.72 -168.33 2.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 0.58 109.496 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.1 p -152.93 161.1 42.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.234 -0.916 . . . . 0.42 109.597 -179.798 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.7 tp -148.93 132.68 16.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.36 109.474 -179.732 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 1.0 OUTLIER -86.3 126.23 34.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.37 109.617 -179.856 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.486 HD13 ' CD2' ' A' ' 341' ' ' PHE . 41.9 mt -124.0 115.28 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.47 109.407 179.759 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.62 147.0 44.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 2.1 109.547 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.54 134.46 8.51 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.881 -1.288 . . . . 0.42 109.881 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.6 -58.34 3.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 2.68 109.371 179.844 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.63 -45.34 89.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 2.22 109.424 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.525 ' NH1' HD22 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -60.44 -41.62 94.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.278 -0.889 . . . . 2.77 109.472 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.9 -53.98 50.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.893 . . . . 0.43 109.48 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.83 -31.18 16.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.332 -0.855 . . . . 1.66 110.031 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 32.6 ttp -64.69 -48.95 72.81 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.124 -0.985 . . . . 0.44 109.671 -179.761 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 332' ' ' ILE . 22.1 m-85 -60.58 -52.12 66.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.29 109.253 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.55 -39.21 48.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.351 -0.843 . . . . 2.44 109.735 179.916 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.18 -43.87 98.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 1.74 110.005 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.96 -45.78 92.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.3 109.627 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.1 -44.19 87.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.336 -0.852 . . . . 1.22 109.849 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.99 -41.38 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.72 109.776 -179.722 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.69 -46.54 87.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.27 109.559 -179.82 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.595 HD22 ' NH1' ' C' ' 337' ' ' ARG . 25.5 mt -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.451 -0.781 . . . . 0.29 109.553 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.46 -38.01 82.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 1.91 109.801 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 350' ' ' LEU . 16.2 tp -63.22 -48.61 77.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.41 109.879 -179.515 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.72 83.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 1.56 109.112 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -33.72 68.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.582 -0.699 . . . . 1.43 109.717 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.69 13.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.66 109.651 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.4 ' OE1' HD11 ' B' ' 350' ' ' LEU . 85.6 mt-30 -80.17 2.48 24.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 1.18 109.649 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -80.93 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.167 -0.958 . . . . 1.23 109.78 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 26.44 5.71 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.353 -1.099 . . . . 1.54 110.353 -179.512 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 0.38 55.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.938 -1.331 . . . . 4.18 109.67 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.441 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 1.0 OUTLIER -51.43 158.25 1.48 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.088 -1.007 . . . . 5.71 109.621 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -62.48 132.25 37.38 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.125 1.883 . . . . 5.61 110.226 179.915 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 118.043 -1.421 . . . . 7.24 109.55 180.0 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 7.34 109.237 . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 9.9 mttt 77.43 -29.52 0.17 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.221 -0.924 . . . . 7.17 110.574 -179.828 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.432 ' CG ' HD21 ' B' ' 323' ' ' LEU . 19.2 tttt 58.36 66.84 2.41 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 120.837 -1.164 . . . . 6.44 109.382 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.48 86.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.145 1.897 . . . . 4.54 110.357 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.432 HD21 ' CG ' ' B' ' 321' ' ' LYS . 17.2 mt -85.09 43.79 1.03 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 4.32 109.744 179.888 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.55 -164.18 0.61 Allowed 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.4 -0.813 . . . . 2.47 109.657 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 166.73 43.6 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.621 -1.392 . . . . 0.95 109.621 -179.928 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.8 141.76 52.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.368 -1.078 . . . . 1.61 109.593 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -93.76 154.28 17.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.57 109.385 179.832 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 67.7 m-85 -138.71 -168.24 2.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.53 109.589 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 15.7 p -153.04 161.08 42.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.38 109.563 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 15.8 tp -148.92 132.95 17.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.36 109.411 -179.754 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.45 126.25 34.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 1.36 109.541 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' B' ' 341' ' ' PHE . 41.3 mt -123.97 115.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -0.938 . . . . 0.49 109.451 179.639 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.61 146.92 44.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.1 109.676 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.54 134.57 8.55 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.947 -1.261 . . . . 0.44 109.947 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -79.62 -58.39 3.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -1.073 . . . . 2.72 109.354 179.857 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 15.7 pt-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 2.21 109.437 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.624 ' NH1' HD22 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -60.6 -41.47 94.81 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.343 -0.848 . . . . 2.79 109.476 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.2 t80 -56.09 -53.89 51.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 0.45 109.43 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.9 -31.05 16.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.495 -0.753 . . . . 1.68 110.111 -179.793 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 32.7 ttp -64.83 -48.88 72.74 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.075 -1.016 . . . . 0.43 109.601 -179.738 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' B' ' 332' ' ' ILE . 21.8 m-85 -60.59 -51.97 67.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.28 109.304 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.468 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.64 -39.25 50.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.362 -0.836 . . . . 2.52 109.615 179.94 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.28 -43.74 98.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.254 -0.904 . . . . 1.75 109.956 -179.735 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.01 -45.73 92.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.202 -0.936 . . . . 0.31 109.612 -179.667 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.11 -44.11 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.21 109.89 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.05 -41.44 98.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 1.69 109.721 -179.704 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.69 -46.39 87.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.86 . . . . 0.27 109.59 -179.747 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.609 HD22 ' NH1' ' D' ' 337' ' ' ARG . 25.5 mt -62.18 -40.55 96.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.3 109.581 -179.829 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.61 -37.92 83.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.369 -0.832 . . . . 1.93 109.725 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' B' ' 350' ' ' LEU . 16.1 tp -63.14 -48.76 77.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.507 -0.746 . . . . 0.4 109.841 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.02 -37.77 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 1.59 109.141 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.46 -33.69 68.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.489 -0.757 . . . . 1.43 109.685 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -55.69 13.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.65 109.691 -179.743 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -80.24 2.45 24.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.19 109.621 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -80.95 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.227 -0.92 . . . . 1.22 109.799 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 26.45 5.76 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.455 -1.058 . . . . 1.53 110.455 -179.547 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.81 0.39 55.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.925 -1.338 . . . . 4.21 109.841 179.831 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.449 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 1.0 OUTLIER -51.42 158.12 1.51 Allowed Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.185 -0.947 . . . . 5.68 109.547 -179.964 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -62.31 132.21 37.63 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.208 1.939 . . . . 5.57 110.236 179.83 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.923 -1.487 . . . . 7.2 109.542 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.261 -0.644 . . . . 8.96 109.261 . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 9.9 mttt 77.6 -29.73 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.289 -0.882 . . . . 8.15 110.557 -179.91 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.438 ' CG ' HD21 ' C' ' 323' ' ' LEU . 19.1 tttt 58.47 66.76 2.41 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.2 . . . . 7.15 109.322 -179.902 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.5 86.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.161 1.908 . . . . 4.35 110.365 -179.961 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.438 HD21 ' CG ' ' C' ' 321' ' ' LYS . 17.2 mt -85.02 43.84 1.03 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.343 -0.848 . . . . 4.63 109.804 179.838 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.59 -163.85 0.57 Allowed 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.381 -0.824 . . . . 2.85 109.65 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.29 166.73 44.6 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.661 -1.376 . . . . 1.12 109.661 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -58.72 141.76 51.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 2.11 109.568 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -93.8 154.29 17.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.64 109.312 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 67.8 m-85 -138.71 -168.36 2.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.49 109.584 -179.835 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.0 p -152.96 160.98 43.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.47 109.619 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.8 tp -148.84 132.79 17.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.42 109.498 -179.739 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.34 126.24 34.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 1.81 109.588 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.482 HD13 ' CD2' ' C' ' 341' ' ' PHE . 41.6 mt -123.98 115.32 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.14 -0.975 . . . . 0.42 109.427 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.66 146.86 44.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.283 -0.886 . . . . 2.35 109.674 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.62 134.43 8.5 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.95 -1.26 . . . . 0.41 109.95 179.691 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -79.47 -58.41 3.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.315 -1.109 . . . . 2.59 109.444 179.84 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -58.62 -45.27 89.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 2.54 109.452 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.595 ' NH1' HD22 ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.66 -41.56 95.24 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.291 -0.88 . . . . 3.39 109.367 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.1 t80 -56.05 -53.86 51.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 0.47 109.496 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -50.87 -31.14 16.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 1.66 110.088 -179.833 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.484 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 32.7 ttp -64.79 -48.85 72.97 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.078 -1.014 . . . . 0.61 109.647 -179.77 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CD2' HD13 ' C' ' 332' ' ' ILE . 22.3 m-85 -60.57 -52.15 66.41 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.167 -0.958 . . . . 0.33 109.3 179.861 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.467 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.63 -39.2 49.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 3.28 109.696 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.22 -43.77 98.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 1.78 109.943 -179.756 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' D' ' 344' ' ' LEU . 82.2 mt -61.99 -45.67 92.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.38 109.727 -179.758 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.24 -44.11 88.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 1.2 109.834 -179.821 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.95 -41.48 98.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.31 -0.869 . . . . 2.12 109.752 -179.745 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.63 -46.48 86.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.26 109.574 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.525 HD22 ' NH1' ' A' ' 337' ' ' ARG . 25.8 mt -62.12 -40.61 96.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.4 109.537 -179.851 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.51 -38.09 83.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 2.09 109.718 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' D' ' 354' ' ' GLN . 16.1 tp -63.18 -48.58 77.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 0.75 109.949 -179.574 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.75 83.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.193 -0.942 . . . . 2.19 109.049 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -33.6 68.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.598 -0.689 . . . . 1.34 109.7 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -55.63 13.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.72 109.596 -179.676 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -80.31 2.47 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 1.8 109.548 -179.893 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -80.92 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.17 -0.956 . . . . 1.39 109.883 -179.898 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 26.43 5.77 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.3 -1.12 . . . . 1.66 110.3 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.84 0.32 55.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.975 -1.309 . . . . 4.45 109.738 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 1.0 OUTLIER -51.39 158.24 1.46 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.109 -0.995 . . . . 6.19 109.591 -179.906 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 2.3 Cg_endo -62.43 132.26 37.54 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.146 1.898 . . . . 5.58 110.236 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.947 -1.474 . . . . 6.9 109.51 179.924 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.25 -0.648 . . . . 7.36 109.25 . . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 9.9 mttt 77.53 -29.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.36 -0.838 . . . . 7.15 110.533 -179.902 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.447 ' CG ' HD21 ' D' ' 323' ' ' LEU . 19.1 tttt 58.46 66.76 2.42 Favored Pre-proline 0 N--CA 1.486 1.372 0 O-C-N 120.73 -1.231 . . . . 6.5 109.38 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.46 86.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.136 1.89 . . . . 4.5 110.416 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.447 HD21 ' CG ' ' D' ' 321' ' ' LYS . 17.1 mt -84.98 43.7 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 4.32 109.827 179.821 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.43 -163.87 0.57 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.356 -0.84 . . . . 2.46 109.666 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.71 44.86 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.603 -1.399 . . . . 0.97 109.603 -179.894 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -58.72 141.8 51.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -1.185 . . . . 1.67 109.548 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.83 154.2 17.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 0.61 109.377 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 67.7 m-85 -138.74 -168.3 2.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.56 109.533 -179.812 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.0 p -152.99 161.09 42.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -0.95 . . . . 0.43 109.63 -179.743 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.0 tp -148.9 132.78 17.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.35 109.549 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.35 126.17 34.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 1.37 109.626 -179.839 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' D' ' 341' ' ' PHE . 41.4 mt -123.91 115.24 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.48 109.485 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.59 146.79 44.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 2.08 109.638 -179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.68 134.44 8.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.864 -1.294 . . . . 0.4 109.864 179.64 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.53 -58.42 3.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -1.163 . . . . 2.64 109.395 179.828 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 15.7 pt-20 -58.63 -45.33 89.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.403 -0.811 . . . . 2.22 109.407 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.609 ' NH1' HD22 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.45 -41.64 94.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.332 -0.855 . . . . 2.74 109.468 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.5 t80 -55.88 -53.95 50.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.257 -0.902 . . . . 0.43 109.513 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.92 -31.07 16.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.69 110.063 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 32.5 ttp -64.85 -48.83 72.91 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.087 -1.008 . . . . 0.43 109.644 -179.742 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' D' ' 332' ' ' ILE . 22.0 m-85 -60.55 -52.14 66.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.27 109.26 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.45 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.69 -39.17 50.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.45 109.647 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.24 -43.81 98.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.917 . . . . 1.75 109.927 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 344' ' ' LEU . 82.1 mt -61.88 -45.73 92.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.883 . . . . 0.31 109.71 -179.718 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.2 -44.13 87.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 1.22 109.826 -179.812 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.06 -41.4 98.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 1.73 109.748 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -46.23 87.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.347 -0.845 . . . . 0.28 109.651 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.624 HD22 ' NH1' ' B' ' 337' ' ' ARG . 25.8 mt -62.27 -40.68 97.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.31 109.412 -179.892 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.43 -38.21 83.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.455 -0.778 . . . . 1.91 109.726 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' D' ' 350' ' ' LEU . 16.1 tp -63.0 -48.67 77.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.43 109.978 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.11 -37.8 84.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 1.57 109.124 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -33.65 68.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.643 -0.661 . . . . 1.44 109.737 179.818 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.65 13.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.64 109.71 -179.739 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.501 ' OE1' HD11 ' C' ' 350' ' ' LEU . 85.8 mt-30 -80.19 2.45 24.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -0.879 . . . . 1.21 109.662 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.4 -81.04 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.328 -0.857 . . . . 1.22 109.86 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.37 26.41 5.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.458 -1.057 . . . . 1.5 110.458 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 0.35 55.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.942 -1.328 . . . . 4.18 109.758 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 1.0 OUTLIER -51.37 158.14 1.48 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.144 -0.972 . . . . 5.67 109.618 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 2.3 Cg_endo -62.39 132.15 37.15 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.207 1.938 . . . . 5.65 110.162 179.867 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 117.984 -1.453 . . . . 7.27 109.58 179.952 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 3.1 mtmt . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.419 -0.586 . . . . 7.33 109.419 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 80.88 -40.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.528 -0.733 . . . . 7.21 110.184 -179.859 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 59.97 99.93 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.985 -1.072 . . . . 6.47 109.582 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.13 127.34 23.8 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.005 1.803 . . . . 4.53 110.23 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 323' ' ' LEU . 49.6 mt -80.65 124.08 28.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 4.35 109.635 -179.863 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -81.78 6.44 15.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 2.48 109.797 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.72 151.28 52.01 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.7 -1.36 . . . . 0.98 109.7 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.27 132.94 55.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -1.095 . . . . 1.7 109.703 -179.868 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.57 157.8 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.61 109.383 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -140.17 -174.88 4.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.328 -0.858 . . . . 0.58 109.48 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.0 p -153.12 159.68 42.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.981 . . . . 0.42 109.688 -179.681 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.5 tp -148.23 130.26 15.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.36 109.365 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.97 34.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 1.37 109.676 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.7 mt -123.98 118.85 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.935 . . . . 0.47 109.412 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 0.1 OUTLIER -74.21 136.39 42.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 2.1 109.606 179.947 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 103.11 129.9 6.8 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.888 -1.285 . . . . 0.42 109.888 179.637 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 55.7 ttt180 -74.83 -54.71 6.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.34 -1.094 . . . . 2.68 109.421 179.859 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.07 -45.99 86.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 2.22 109.541 179.954 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -60.6 -41.67 95.23 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.262 -0.899 . . . . 2.77 109.38 179.958 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' C' ' 329' ' ' THR . 61.6 t80 -56.05 -55.81 28.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.538 -0.726 . . . . 0.43 109.784 -179.884 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.87 -33.74 17.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 1.66 110.024 -179.515 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.82 -49.18 75.94 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.188 -0.945 . . . . 0.44 109.77 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 21.0 m-85 -61.64 -50.78 71.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.366 -0.834 . . . . 0.29 109.172 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.457 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.94 32.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.358 -0.839 . . . . 2.44 109.603 179.754 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.21 -48.57 81.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.138 -0.976 . . . . 1.74 109.493 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.99 -35.16 77.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.3 109.038 179.65 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.569 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.5 t-20 -59.4 -52.74 64.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.38 -0.825 . . . . 1.22 109.651 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.82 -33.24 74.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.436 -0.79 . . . . 1.72 109.884 -179.646 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.35 -51.59 68.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.27 110.106 -179.638 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.6 mt -61.23 -43.69 98.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -0.913 . . . . 0.29 109.814 -179.615 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -59.83 -38.57 82.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 1.91 109.717 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.85 -41.77 95.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.41 109.192 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.3 OUTLIER -61.6 -40.53 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 1.56 108.89 179.625 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.88 -35.08 63.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.622 -0.674 . . . . 1.43 109.492 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.84 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.301 -0.874 . . . . 0.66 109.289 179.815 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.471 ' OE1' HD21 ' B' ' 350' ' ' LEU . 7.3 mt-30 -82.2 -5.54 58.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.437 -0.789 . . . . 1.18 109.521 179.846 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -88.72 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 1.23 109.428 179.957 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.27 97.81 2.03 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.609 -1.397 . . . . 1.54 109.609 179.926 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -87.84 110.99 20.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -1.135 . . . . 4.18 109.386 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 359' ' ' PRO . 18.6 tt0 -50.42 138.15 21.78 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.334 -0.854 . . . . 5.71 109.499 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 358' ' ' GLU . 3.2 Cg_exo -61.06 135.87 61.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.978 1.785 . . . . 5.61 110.204 179.888 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.952 -1.471 . . . . 7.24 109.574 179.944 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 3.2 mtmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.497 -0.557 . . . . 7.34 109.497 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 80.86 -40.9 0.16 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.57 -0.706 . . . . 7.17 110.152 -179.808 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 59.99 99.89 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 120.871 -1.143 . . . . 6.44 109.526 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.04 127.37 23.98 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.119 1.879 . . . . 4.54 110.129 179.922 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.7 124.0 28.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 4.32 109.655 -179.964 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -81.65 6.15 16.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.906 . . . . 2.47 109.755 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 151.13 52.13 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.684 -1.366 . . . . 0.95 109.684 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.23 132.89 55.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.378 -1.072 . . . . 1.61 109.712 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.47 157.87 15.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.57 109.374 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -140.22 -174.94 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.53 109.447 -179.922 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.509 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.9 p -153.12 159.63 42.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.119 -0.988 . . . . 0.38 109.681 -179.737 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.5 tp -148.12 130.29 15.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.36 109.433 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 37.9 tt0 -87.16 130.95 34.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 1.36 109.667 -179.816 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.93 118.85 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.49 109.403 179.733 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.18 136.41 42.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 2.1 109.68 179.907 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 103.09 129.89 6.8 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.44 109.916 179.659 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 55.6 ttt180 -74.77 -54.7 6.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -1.113 . . . . 2.72 109.465 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.16 -45.84 86.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 2.21 109.476 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -60.66 -41.86 95.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.287 -0.883 . . . . 2.79 109.251 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.8 t80 -55.8 -55.92 26.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.603 -0.685 . . . . 0.45 109.903 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.86 -33.72 17.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 1.68 110.039 -179.535 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.81 -49.24 75.74 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.161 -0.962 . . . . 0.43 109.764 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 20.7 m-85 -61.65 -50.77 71.18 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.173 -0.955 . . . . 0.28 109.169 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.458 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.4 OUTLIER -50.65 -35.99 33.36 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.471 -0.768 . . . . 2.52 109.511 179.855 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 1.75 109.514 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.16 -34.93 77.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.232 -0.917 . . . . 0.31 109.045 179.742 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.604 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -59.35 -52.86 63.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.418 -0.802 . . . . 1.21 109.627 179.746 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 1.69 109.905 -179.591 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.47 -51.54 68.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.27 109.972 -179.569 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.2 mt -61.35 -43.55 98.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.3 109.75 -179.507 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.92 -38.54 82.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 1.93 109.801 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -64.77 -41.81 95.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.4 109.315 -179.722 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -40.39 94.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.426 -0.796 . . . . 1.59 108.946 179.566 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.83 -35.2 63.7 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.604 -0.685 . . . . 1.43 109.55 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.85 88.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.227 -0.921 . . . . 0.65 109.323 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.451 ' OE1' HD21 ' A' ' 350' ' ' LEU . 7.3 mt-30 -82.13 -5.59 58.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.354 -0.841 . . . . 1.19 109.55 179.803 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.45 -88.66 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.949 . . . . 1.22 109.432 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.42 97.87 2.04 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.555 -1.418 . . . . 1.53 109.555 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -87.78 110.99 20.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.225 -1.162 . . . . 4.21 109.486 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' B' ' 359' ' ' PRO . 18.6 tt0 -50.39 138.07 21.69 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 5.68 109.453 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -60.98 135.79 61.45 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.066 1.844 . . . . 5.57 110.202 179.844 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.955 -1.469 . . . . 7.2 109.548 179.952 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 3.1 mtmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.476 -0.565 . . . . 8.96 109.476 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 80.9 -40.96 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.465 -0.772 . . . . 8.15 110.149 -179.813 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 60.1 100.01 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 7.15 109.509 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -59.33 127.37 23.69 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.013 1.809 . . . . 4.35 110.132 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 50.0 mt -80.63 124.1 28.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.873 . . . . 4.63 109.624 -179.891 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -81.74 6.32 15.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 2.85 109.688 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.55 151.3 52.12 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.622 -1.391 . . . . 1.12 109.622 -179.826 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.4 132.91 55.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.067 . . . . 2.11 109.674 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.85 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.64 109.36 179.808 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.3 m-85 -140.25 -174.95 4.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.49 109.429 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.9 p -153.08 159.76 42.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.073 -1.017 . . . . 0.47 109.736 -179.751 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.5 tp -148.22 130.27 15.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 0.42 109.349 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 37.9 tt0 -87.05 131.05 34.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 1.81 109.654 -179.874 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' C' ' 341' ' ' PHE . 50.6 mt -124.02 118.86 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.42 109.416 179.654 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 0.1 OUTLIER -74.16 136.45 42.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 2.35 109.574 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 103.14 129.87 6.79 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.929 -1.268 . . . . 0.41 109.929 179.679 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 55.7 ttt180 -74.89 -54.72 6.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.225 -1.162 . . . . 2.59 109.389 179.76 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.09 -45.89 86.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 2.54 109.484 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.7 OUTLIER -60.76 -41.7 96.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.31 -0.869 . . . . 3.39 109.283 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 329' ' ' THR . 61.8 t80 -55.98 -55.94 26.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.548 -0.72 . . . . 0.47 109.768 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.83 -33.74 17.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 1.66 110.025 -179.545 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.86 -49.19 75.83 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.08 -1.013 . . . . 0.61 109.768 -179.711 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 21.1 m-85 -61.59 -50.76 71.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.255 -0.903 . . . . 0.33 109.235 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.457 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.95 32.82 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 3.28 109.614 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.14 -48.66 80.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.78 109.436 -179.914 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.07 -35.05 77.5 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.243 -0.911 . . . . 0.38 109.044 179.739 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.58 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.31 -52.87 63.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.493 -0.754 . . . . 1.2 109.649 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.18 74.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 2.12 109.962 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.42 -51.59 68.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.26 110.005 -179.655 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.554 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.0 mt -61.33 -43.46 98.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.887 . . . . 0.4 109.803 -179.518 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.92 -38.62 82.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.948 . . . . 2.09 109.774 -179.921 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.698 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.82 -41.71 95.54 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.273 -0.892 . . . . 0.75 109.353 -179.711 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -40.4 94.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 2.19 108.923 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.83 -35.23 63.72 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.607 -0.683 . . . . 1.34 109.421 179.92 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.8 87.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.72 109.25 179.9 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' D' ' 350' ' ' LEU . 7.3 mt-30 -82.18 -5.51 58.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.387 -0.821 . . . . 1.8 109.56 179.84 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.51 -88.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 1.39 109.462 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.52 97.86 2.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.534 -1.426 . . . . 1.66 109.534 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -87.8 111.07 20.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.136 -1.214 . . . . 4.45 109.382 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' C' ' 359' ' ' PRO . 18.6 tt0 -50.42 138.16 21.76 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 6.19 109.469 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.05 135.84 61.51 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.0 1.8 . . . . 5.58 110.229 179.81 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.489 -1.444 . . . . 6.9 109.489 179.997 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 3.2 mtmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.472 -0.566 . . . . 7.36 109.472 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 80.81 -40.86 0.17 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.456 -0.777 . . . . 7.15 110.197 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 60.06 99.97 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 120.943 -1.098 . . . . 6.5 109.505 179.754 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.28 127.41 23.9 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 121.941 1.761 . . . . 4.5 110.187 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 50.0 mt -80.65 124.04 28.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -0.896 . . . . 4.32 109.668 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -81.72 6.35 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.46 109.758 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.62 151.28 52.07 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.661 -1.376 . . . . 0.97 109.661 -179.774 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.3 132.88 55.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.424 -1.045 . . . . 1.67 109.638 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.86 15.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.093 -1.004 . . . . 0.61 109.34 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.5 m-85 -140.31 -174.91 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.197 -0.94 . . . . 0.56 109.432 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.9 p -153.03 159.73 42.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.103 -0.998 . . . . 0.43 109.621 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -148.22 130.21 15.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.35 109.463 -179.89 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.89 34.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.911 . . . . 1.37 109.658 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 50.5 mt -123.91 118.82 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 0.48 109.451 179.694 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 0.1 OUTLIER -74.06 136.32 43.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.081 -1.012 . . . . 2.08 109.61 179.979 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 103.17 130.01 6.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.839 -1.304 . . . . 0.4 109.839 179.611 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 55.7 ttt180 -75.0 -54.52 7.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -1.126 . . . . 2.64 109.525 179.778 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.27 -45.84 87.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 2.22 109.491 179.906 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.7 OUTLIER -60.64 -41.81 95.67 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.236 -0.915 . . . . 2.74 109.255 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' B' ' 329' ' ' THR . 61.6 t80 -55.94 -55.93 26.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.43 109.811 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.76 -33.8 17.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.69 110.041 -179.567 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.75 -49.16 76.1 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.136 -0.978 . . . . 0.43 109.818 -179.648 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.8 m-85 -61.74 -50.68 71.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.27 109.145 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.463 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.69 -35.91 33.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.44 -0.787 . . . . 2.45 109.519 179.89 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.19 -48.58 81.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.165 -0.959 . . . . 1.75 109.454 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.01 -35.2 77.83 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.202 -0.936 . . . . 0.31 109.004 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.614 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.6 t-20 -59.45 -52.77 64.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.423 -0.798 . . . . 1.22 109.621 179.858 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.84 -33.06 74.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.358 -0.839 . . . . 1.73 109.947 -179.662 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -51.56 68.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.28 109.981 -179.654 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.6 mt -61.31 -43.53 98.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.31 -0.869 . . . . 0.31 109.837 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -59.9 -38.56 82.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.354 -0.842 . . . . 1.91 109.794 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.686 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -64.76 -41.78 95.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 0.43 109.267 -179.689 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.3 OUTLIER -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 1.57 108.996 179.562 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.85 -35.09 63.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.585 -0.697 . . . . 1.44 109.532 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.89 87.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 0.64 109.234 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.489 ' OE1' HD21 ' C' ' 350' ' ' LEU . 7.3 mt-30 -82.03 -5.7 58.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 1.21 109.48 179.832 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.4 -88.7 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.175 -0.953 . . . . 1.22 109.445 -179.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.36 97.82 2.03 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.553 -1.419 . . . . 1.5 109.553 179.957 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -87.79 111.02 20.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -1.14 . . . . 4.18 109.457 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.45 ' CG ' ' HD2' ' D' ' 359' ' ' PRO . 18.6 tt0 -50.4 138.14 21.69 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 5.67 109.421 -179.933 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' D' ' 358' ' ' GLU . 3.2 Cg_exo -61.03 135.8 61.33 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.008 1.805 . . . . 5.65 110.199 179.826 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.899 -1.5 . . . . 7.27 109.572 179.936 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.258 0.551 . . . . 7.33 109.519 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 63.68 139.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 7.21 109.436 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.24 147.68 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.237 -0.914 . . . . 6.47 109.443 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.55 -154.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.067 1.845 . . . . 4.53 110.255 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 131.64 35.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.873 . . . . 4.35 109.472 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.63 -128.91 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.241 -0.912 . . . . 2.48 109.173 179.772 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.78 155.81 52.82 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.379 -1.489 . . . . 0.98 109.379 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.01 140.31 52.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -1.199 . . . . 1.7 109.507 -179.72 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 25.1 m-85 -93.34 154.58 17.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.61 109.307 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.34 -168.92 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.173 -0.954 . . . . 0.58 109.734 -179.708 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.5 p -153.15 157.75 40.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.42 109.295 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -149.41 136.08 19.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 0.36 109.52 -179.729 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.6 OUTLIER -85.84 130.79 34.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 1.37 109.365 -179.996 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.4 mt -123.86 112.49 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.47 109.557 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.3 41.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 2.1 109.471 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 138.28 8.01 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.755 -1.338 . . . . 0.42 109.755 179.838 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 31.5 ttm180 -80.7 -58.48 3.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.351 -1.088 . . . . 2.68 109.47 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.72 -43.68 85.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.22 109.452 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.42 -43.5 96.68 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 2.77 109.302 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.492 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -55.35 -56.4 20.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.43 109.546 179.897 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.44 -34.98 37.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.66 110.001 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.93 -48.65 77.99 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.072 -1.018 . . . . 0.44 109.95 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.31 -46.47 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.185 -0.947 . . . . 0.29 109.152 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -41.51 63.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 2.44 109.736 179.805 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.38 81.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.249 -0.907 . . . . 1.74 110.051 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' B' ' 344' ' ' LEU . 46.1 mt -61.61 -34.12 75.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.986 . . . . 0.3 108.925 179.9 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.552 ' HB2' HD21 ' C' ' 330' ' ' LEU . 25.9 t-20 -59.77 -57.74 11.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.398 -0.814 . . . . 1.22 109.432 179.715 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 1.72 109.891 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -52.95 63.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.931 . . . . 0.27 109.811 -179.667 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.44 -38.52 87.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.29 109.437 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.21 -38.06 82.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 1.91 109.667 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 9.8 tp -63.69 -46.52 85.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.41 109.609 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HE3' ' HG3' ' B' ' 346' ' ' GLU . 12.1 ttmm -61.3 -36.16 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 1.56 109.039 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -56.82 -35.99 69.44 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 1.43 109.757 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.78 -49.89 64.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.66 109.591 -179.847 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -81.13 0.62 35.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.18 109.728 179.992 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.98 -82.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.945 . . . . 1.23 109.778 -179.909 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.34 74.79 2.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.804 -1.318 . . . . 1.54 109.804 -179.745 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -87.69 130.71 34.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.214 -1.168 . . . . 4.18 109.553 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -49.88 110.84 1.77 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 5.71 109.522 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.97 139.27 87.05 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.949 1.766 . . . . 5.61 110.446 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 CA-C-O 117.987 -1.452 . . . . 7.24 109.562 179.955 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.279 0.561 . . . . 7.34 109.488 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.63 139.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 7.17 109.557 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 63.22 147.68 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.347 -0.846 . . . . 6.44 109.425 -179.896 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.51 -154.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.075 1.85 . . . . 4.54 110.235 179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 131.61 35.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 4.32 109.474 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -79.83 -129.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 2.47 108.925 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.98 155.77 52.31 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.357 -1.497 . . . . 0.95 109.357 179.875 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.05 140.32 52.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.147 -1.208 . . . . 1.61 109.514 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.7 m-85 -93.4 154.75 17.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.57 109.315 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.3 m-85 -139.45 -169.0 2.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.256 -0.902 . . . . 0.53 109.717 -179.664 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.408 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.5 p -153.18 157.66 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.38 109.365 -179.899 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.9 tp -149.24 136.12 19.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.36 109.573 -179.628 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.89 130.66 34.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 1.36 109.455 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.2 mt -123.73 112.49 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.49 109.578 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.3 151.31 41.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 2.1 109.433 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.1 7.94 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.756 -1.338 . . . . 0.44 109.756 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.5 ttm180 -80.46 -58.44 3.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -1.088 . . . . 2.72 109.642 179.919 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.82 -43.57 85.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 2.21 109.51 179.924 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 4.2 ttm180 -60.38 -43.58 96.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.237 -0.914 . . . . 2.79 109.385 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' B' ' 332' ' ' ILE . 40.8 t80 -55.3 -56.41 20.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.45 109.579 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.37 -34.99 36.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 1.68 110.006 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.97 -48.68 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.099 -1.001 . . . . 0.43 109.943 -179.48 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.8 m-85 -61.29 -46.38 90.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.116 -0.99 . . . . 0.28 109.21 -179.922 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -41.4 63.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.429 -0.794 . . . . 2.52 109.792 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.54 -48.32 82.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 1.75 109.943 -179.532 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' A' ' 344' ' ' LEU . 46.3 mt -61.72 -34.02 75.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.31 108.979 179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 26.0 t-20 -59.7 -57.71 11.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.434 -0.791 . . . . 1.21 109.494 179.61 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.407 ' HG3' ' HE3' ' A' ' 351' ' ' LYS . 12.7 pt-20 -62.7 -27.38 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 1.69 109.848 -179.771 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.84 -53.12 61.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.169 -0.957 . . . . 0.27 109.763 -179.652 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 62.4 mt -61.43 -38.5 87.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 0.3 109.384 -179.744 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.15 -38.01 81.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.93 109.695 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.7 tp -63.75 -46.55 84.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.349 -0.844 . . . . 0.4 109.527 -179.765 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.1 ttmm -61.3 -36.18 79.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.463 -0.773 . . . . 1.59 109.084 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -56.7 -36.11 69.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 1.43 109.731 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -50.02 64.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.65 109.579 -179.761 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -81.06 0.77 34.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 1.19 109.73 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.17 -82.37 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.112 -0.993 . . . . 1.22 109.753 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.34 74.85 2.43 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.766 -1.334 . . . . 1.53 109.766 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.69 130.79 34.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -1.162 . . . . 4.21 109.555 179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -50.0 110.84 1.79 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.288 -0.882 . . . . 5.68 109.455 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.97 139.35 87.45 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.969 1.779 . . . . 5.57 110.343 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 118.006 -1.441 . . . . 7.2 109.508 179.969 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.298 0.57 . . . . 8.96 109.483 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.66 139.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.221 -0.924 . . . . 8.15 109.452 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 63.25 147.66 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.367 -0.833 . . . . 7.15 109.407 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.47 -154.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.113 1.875 . . . . 4.35 110.301 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 131.67 35.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.264 -0.897 . . . . 4.63 109.486 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.7 -129.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 2.85 109.026 179.824 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.55 155.84 52.67 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.333 -1.507 . . . . 1.12 109.333 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.01 140.28 52.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.242 -1.152 . . . . 2.11 109.443 -179.792 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.2 m-85 -93.34 154.76 17.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.64 109.32 179.877 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.3 m-85 -139.5 -169.02 2.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.246 -0.909 . . . . 0.49 109.812 -179.684 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.6 p -153.11 157.72 40.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.47 109.316 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 345' ' ' ASN . 23.7 tp -149.36 136.1 19.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.202 -0.936 . . . . 0.42 109.565 -179.709 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -85.87 130.79 34.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 1.81 109.41 179.994 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 31.5 mt -123.87 112.46 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.195 -0.941 . . . . 0.42 109.441 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.27 41.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.413 -0.804 . . . . 2.35 109.527 179.767 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 138.08 7.89 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.764 -1.334 . . . . 0.41 109.764 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.443 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 31.5 ttm180 -80.47 -58.44 3.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 2.59 109.545 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.71 -43.66 85.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.357 -0.839 . . . . 2.54 109.437 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -60.42 -43.53 96.65 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.242 -0.911 . . . . 3.39 109.287 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -55.45 -56.25 22.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.476 -0.765 . . . . 0.47 109.547 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -51.46 -35.0 37.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.66 109.964 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.86 -48.86 77.21 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.039 -1.038 . . . . 0.61 109.846 -179.436 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -61.18 -46.47 90.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.946 . . . . 0.33 109.193 -179.918 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.46 63.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 3.28 109.71 179.873 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.47 -48.35 81.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.207 -0.933 . . . . 1.78 110.037 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' D' ' 344' ' ' LEU . 45.7 mt -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.005 . . . . 0.38 109.055 179.847 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.514 ' HB2' HD21 ' A' ' 330' ' ' LEU . 25.9 t-20 -59.63 -57.7 11.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.504 -0.747 . . . . 1.2 109.504 179.606 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.71 -27.37 69.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.537 -0.727 . . . . 2.12 109.872 -179.711 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.93 -53.04 62.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.138 -0.976 . . . . 0.26 109.78 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.36 -38.58 87.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.4 109.419 -179.824 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.22 -37.92 81.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -0.878 . . . . 2.09 109.667 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.74 -46.57 84.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.874 . . . . 0.75 109.627 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -61.16 -36.21 79.2 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.359 -0.838 . . . . 2.19 109.146 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -56.86 -36.03 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 1.34 109.712 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -50.0 64.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.277 -0.889 . . . . 0.72 109.571 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -81.12 0.64 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 1.8 109.695 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.04 -82.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 1.39 109.711 -179.899 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.25 74.72 2.45 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.794 -1.322 . . . . 1.66 109.794 -179.693 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.67 130.73 34.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -1.146 . . . . 4.45 109.553 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.01 110.91 1.81 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.312 -0.868 . . . . 6.19 109.447 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.06 139.25 86.66 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.919 1.746 . . . . 5.58 110.381 -179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.937 -1.48 . . . . 6.9 109.523 179.965 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.443 -0.577 . . . . 7.36 109.443 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.5 139.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 7.15 109.572 -179.87 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.21 147.73 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 6.5 109.424 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.55 -154.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.065 1.843 . . . . 4.5 110.258 -179.983 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.99 131.55 35.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.893 . . . . 4.32 109.557 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.65 -129.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 2.46 109.083 179.793 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 155.76 52.67 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.43 -1.468 . . . . 0.97 109.43 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -57.98 140.35 52.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 1.67 109.516 -179.787 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.2 m-85 -93.37 154.67 17.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.61 109.35 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 78.1 m-85 -139.39 -169.03 2.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.56 109.718 -179.65 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.5 p -153.18 157.7 40.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.43 109.216 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 24.0 tp -149.24 136.17 19.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.169 -0.957 . . . . 0.35 109.576 -179.74 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.97 130.8 34.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 1.37 109.358 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.8 mt -123.84 112.54 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.48 109.511 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.19 151.27 41.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.259 -0.901 . . . . 2.08 109.474 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.2 7.99 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.74 -1.344 . . . . 0.4 109.74 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 31.5 ttm180 -80.61 -58.55 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 2.64 109.518 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.68 -43.68 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 2.22 109.504 179.929 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.497 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 4.3 ttm180 -60.32 -43.55 96.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.257 -0.902 . . . . 2.74 109.333 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' D' ' 332' ' ' ILE . 40.4 t80 -55.41 -56.34 21.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.439 -0.788 . . . . 0.43 109.482 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -51.52 -34.84 37.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 1.69 109.994 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -62.91 -48.88 77.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.063 -1.023 . . . . 0.43 109.893 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.1 m-85 -61.19 -46.4 90.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.936 . . . . 0.27 109.205 -179.907 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -41.49 63.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 2.45 109.775 179.844 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.35 81.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 1.75 110.035 -179.57 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' C' ' 344' ' ' LEU . 46.1 mt -61.69 -34.01 75.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.91 . . . . 0.31 109.013 179.845 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HB2' HD21 ' B' ' 330' ' ' LEU . 25.9 t-20 -59.69 -57.74 11.63 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.4 -0.813 . . . . 1.22 109.514 179.601 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.67 -27.3 69.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 1.73 109.92 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.01 62.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.28 109.717 -179.605 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 62.2 mt -61.39 -38.61 87.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.272 -0.893 . . . . 0.31 109.384 -179.799 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -37.95 81.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.91 109.749 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.83 -46.48 84.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.43 109.566 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.31 -36.14 79.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 1.57 109.105 179.808 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.76 -36.09 69.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.577 -0.702 . . . . 1.44 109.801 179.796 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -49.98 64.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.214 -0.929 . . . . 0.64 109.668 -179.882 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -81.11 0.7 34.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.362 -0.836 . . . . 1.21 109.615 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -82.35 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 1.22 109.778 -179.862 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.42 74.86 2.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.772 -1.331 . . . . 1.5 109.772 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.72 130.71 34.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -1.169 . . . . 4.18 109.517 179.865 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -49.83 110.72 1.72 Allowed Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 5.67 109.54 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.86 139.22 87.19 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.018 1.812 . . . . 5.65 110.366 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.062 -1.41 . . . . 7.27 109.587 179.881 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.446 -0.576 . . . . 7.33 109.446 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 321' ' ' LYS . 36.1 tttp 60.24 81.66 0.17 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 7.21 109.376 -179.902 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.9 tttt 62.51 140.52 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.187 -0.946 . . . . 6.47 109.282 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.7 -10.94 29.91 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 121.867 1.712 . . . . 4.53 110.454 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 323' ' ' LEU . 70.2 mt -84.45 97.37 9.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.131 -0.981 . . . . 4.35 109.515 179.731 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.13 113.1 20.82 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 2.48 109.65 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.588 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.05 153.4 52.87 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.862 -1.695 . . . . 0.98 108.862 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.46 120.78 11.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.257 . . . . 1.7 109.769 -179.642 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 80.7 m-85 -97.8 153.2 18.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -0.933 . . . . 0.61 109.386 179.6 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.3 m-85 -140.26 -175.19 4.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.58 109.275 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 8.5 p -152.65 162.61 41.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.086 -1.009 . . . . 0.42 109.557 -179.684 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' C' ' 345' ' ' ASN . 44.2 tp -149.42 133.78 17.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.36 109.457 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.51 130.53 34.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.921 . . . . 1.37 109.483 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.7 mt -123.86 111.98 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.47 109.454 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.48 150.06 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 2.1 109.611 179.844 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.74 2.26 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -70.9 -50.44 34.92 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -1.124 . . . . 2.68 109.734 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.91 -47.98 81.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.21 -0.931 . . . . 2.22 109.649 -179.806 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.05 -39.3 85.48 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.242 -0.912 . . . . 2.77 109.629 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 332' ' ' ILE . 54.1 t80 -55.36 -53.15 59.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.357 -0.839 . . . . 0.43 109.699 -179.814 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.91 -37.36 43.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -0.862 . . . . 1.66 109.914 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.67 -47.46 83.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.18 -0.95 . . . . 0.44 110.116 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.84 -51.25 70.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.29 109.503 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -50.93 -35.22 32.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.377 -0.827 . . . . 2.44 109.823 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.08 -52.5 64.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.003 . . . . 1.74 110.027 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 72.8 mt -60.5 -34.62 74.34 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.105 -0.997 . . . . 0.3 109.17 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.492 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.3 t-20 -59.18 -52.42 65.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 1.22 109.472 179.483 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.24 -29.91 71.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.42 -0.8 . . . . 1.72 109.836 -179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.96 -55.94 24.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.27 109.962 -179.735 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.01 -42.18 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.29 109.614 -179.542 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.31 -36.86 76.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.91 109.691 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.787 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -66.11 -36.99 84.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.41 109.21 -179.873 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.483 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.59 -46.66 89.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.699 -0.852 . . . . 1.56 108.699 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -31.14 62.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.609 -0.682 . . . . 1.43 109.357 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.66 109.521 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.547 ' OE1' HD21 ' B' ' 350' ' ' LEU . 4.5 mt-30 -83.38 -13.52 54.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.18 109.372 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.2 -14.18 61.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 1.23 109.113 179.56 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 37.9 3.09 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.625 -1.39 . . . . 1.54 109.625 179.753 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.6 151.62 23.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.068 -1.254 . . . . 4.18 109.38 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -49.35 131.7 17.77 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 5.71 109.556 -179.769 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.41 158.03 38.01 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.953 1.769 . . . . 5.61 110.316 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.569 -1.412 . . . . 7.24 109.569 179.99 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 21.5 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.533 -0.543 . . . . 7.34 109.533 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 321' ' ' LYS . 36.0 tttp 60.26 81.55 0.18 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 7.17 109.459 -179.922 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.9 tttt 62.42 140.57 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.905 . . . . 6.44 109.366 -179.83 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.76 -10.9 29.83 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.9 1.734 . . . . 4.54 110.424 -179.687 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 323' ' ' LEU . 69.9 mt -84.46 97.44 9.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.191 -0.943 . . . . 4.32 109.478 179.674 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.18 112.99 20.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.417 -0.802 . . . . 2.47 109.71 179.872 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.74 153.61 52.99 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.845 -1.702 . . . . 0.95 108.845 179.482 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.65 120.7 11.12 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.061 -1.258 . . . . 1.61 109.764 -179.758 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 80.8 m-85 -97.69 153.18 18.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.34 -0.85 . . . . 0.57 109.357 179.614 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 63.8 m-85 -140.26 -175.12 4.14 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.188 -0.945 . . . . 0.53 109.211 179.707 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 8.6 p -152.69 162.69 40.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.091 -1.006 . . . . 0.38 109.632 -179.777 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' D' ' 345' ' ' ASN . 44.0 tp -149.46 133.82 17.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.384 -0.823 . . . . 0.36 109.334 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.61 130.5 34.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.36 109.488 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 338' ' ' PHE . 43.3 mt -123.8 111.93 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.191 -0.943 . . . . 0.49 109.564 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.51 150.11 41.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 2.1 109.505 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 123.83 2.28 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.795 -1.322 . . . . 0.44 109.795 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -71.08 -50.47 33.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -1.08 . . . . 2.72 109.66 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.78 -48.09 80.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.922 . . . . 2.21 109.631 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.19 -39.28 85.94 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.311 -0.868 . . . . 2.79 109.528 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.523 ' CD1' HD12 ' B' ' 332' ' ' ILE . 54.0 t80 -55.26 -53.26 58.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.45 109.728 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.76 -37.45 42.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 1.68 109.921 -179.686 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.63 -47.42 83.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.166 -0.959 . . . . 0.43 110.12 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.91 -51.25 70.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.28 109.412 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.96 -35.27 32.69 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.337 -0.852 . . . . 2.52 109.755 179.978 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.06 -52.61 64.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 1.75 109.996 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 72.8 mt -60.44 -34.57 74.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.31 109.143 -179.905 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.496 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.2 t-20 -59.33 -52.31 66.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.394 -0.816 . . . . 1.21 109.406 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.35 -29.77 71.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.38 -0.825 . . . . 1.69 109.764 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.09 -55.86 24.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.17 -0.956 . . . . 0.27 109.926 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.05 -42.21 98.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.3 109.645 -179.571 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.28 -36.93 76.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.93 109.643 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -66.03 -37.06 84.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -0.895 . . . . 0.4 109.128 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.533 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.1 tppp? -60.58 -46.74 89.1 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.653 -0.869 . . . . 1.59 108.653 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.9 -31.15 62.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.681 -0.637 . . . . 1.43 109.328 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.68 80.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.65 109.558 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.558 ' OE1' HD21 ' A' ' 350' ' ' LEU . 4.5 mt-30 -83.23 -13.72 54.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 1.19 109.415 179.827 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.22 -14.07 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.205 -0.935 . . . . 1.22 109.193 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 37.96 3.09 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.616 -1.394 . . . . 1.53 109.616 179.7 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 151.61 23.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.137 -1.214 . . . . 4.21 109.438 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -49.5 131.58 18.92 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.071 -1.018 . . . . 5.68 109.466 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.2 157.89 37.72 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.991 1.794 . . . . 5.57 110.282 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.957 -1.469 . . . . 7.2 109.536 179.913 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.53 -0.545 . . . . 8.96 109.53 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 321' ' ' LYS . 36.3 tttp 60.19 81.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.199 -0.938 . . . . 8.15 109.379 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.9 tttt 62.54 140.47 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 7.15 109.317 -179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.6 -11.13 30.5 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 121.975 1.784 . . . . 4.35 110.396 -179.772 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' C' ' 323' ' ' LEU . 69.6 mt -84.35 97.45 9.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.158 -0.964 . . . . 4.63 109.421 179.776 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.2 113.07 20.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -0.857 . . . . 2.85 109.576 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.86 153.64 53.01 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.881 -1.688 . . . . 1.12 108.881 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.61 120.75 11.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.019 -1.283 . . . . 2.11 109.79 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 81.1 m-85 -97.71 153.23 18.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.64 109.347 179.588 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.2 m-85 -140.35 -175.22 4.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.223 -0.923 . . . . 0.49 109.298 179.745 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 8.5 p -152.7 162.7 40.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.47 109.558 -179.691 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 345' ' ' ASN . 43.8 tp -149.51 133.76 17.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.305 -0.872 . . . . 0.42 109.412 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.57 130.49 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 1.81 109.509 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.9 mt -123.8 112.05 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.42 109.529 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.54 150.11 41.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 2.35 109.531 179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 123.95 2.3 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -71.19 -50.47 32.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -1.123 . . . . 2.59 109.575 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.93 -47.75 81.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 2.54 109.701 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.34 -39.23 86.37 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.348 -0.845 . . . . 3.39 109.535 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.7 t80 -55.48 -53.05 61.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.374 -0.829 . . . . 0.47 109.719 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.85 -37.5 43.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 1.66 109.877 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.65 -47.45 83.65 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.181 -0.949 . . . . 0.61 110.049 -179.339 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.81 -51.32 69.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.168 -0.958 . . . . 0.33 109.458 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.87 -35.32 32.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.895 . . . . 3.28 109.755 179.93 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.97 -52.58 64.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.12 -0.988 . . . . 1.78 109.993 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' D' ' 344' ' ' LEU . 72.3 mt -60.54 -34.55 74.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.38 109.101 -179.787 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.26 -52.41 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.848 . . . . 1.2 109.454 179.568 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.18 -29.85 71.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 2.12 109.848 -179.871 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.06 -55.86 24.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.26 109.946 -179.679 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.03 -42.15 97.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.356 -0.84 . . . . 0.4 109.666 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.36 -36.91 76.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 2.09 109.616 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.769 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -66.04 -36.99 84.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 0.75 109.16 -179.848 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.621 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.64 -46.68 89.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.745 -0.835 . . . . 2.19 108.745 179.551 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 -31.2 62.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.605 -0.684 . . . . 1.34 109.398 179.415 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.85 81.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.374 -0.829 . . . . 0.72 109.583 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' D' ' 350' ' ' LEU . 9.5 mt-30 -83.29 -13.55 54.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 1.8 109.398 179.897 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.22 -14.09 61.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.218 -0.926 . . . . 1.39 109.17 179.607 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.8 3.09 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.665 -1.374 . . . . 1.66 109.665 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 151.68 23.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.113 -1.228 . . . . 4.45 109.394 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.35 131.71 17.8 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 6.19 109.491 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.41 158.03 38.05 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.002 1.802 . . . . 5.58 110.202 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.534 -1.427 . . . . 6.9 109.534 179.875 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.433 -0.58 . . . . 7.36 109.433 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 321' ' ' LYS . 36.2 tttp 60.16 81.62 0.17 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.223 -0.923 . . . . 7.15 109.382 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.9 tttt 62.55 140.52 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.906 . . . . 6.5 109.292 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.73 -11.02 30.26 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.965 1.777 . . . . 4.5 110.333 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' D' ' 323' ' ' LEU . 69.9 mt -84.38 97.34 9.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 4.32 109.438 179.822 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.26 113.09 20.86 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.331 -0.855 . . . . 2.46 109.589 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.95 153.53 52.97 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.805 -1.718 . . . . 0.97 108.805 179.491 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.49 120.7 11.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.034 -1.274 . . . . 1.67 109.751 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 80.7 m-85 -97.71 153.25 18.37 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.945 . . . . 0.61 109.391 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 63.9 m-85 -140.44 -175.19 4.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.56 109.179 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.0 p -152.67 162.64 40.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.125 -0.984 . . . . 0.43 109.678 -179.642 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' B' ' 345' ' ' ASN . 43.8 tp -149.46 133.81 17.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.35 109.349 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.56 130.6 34.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.258 -0.901 . . . . 1.37 109.505 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' D' ' 338' ' ' PHE . 43.5 mt -123.94 112.01 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.18 -0.95 . . . . 0.48 109.435 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -73.5 149.94 41.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 2.08 109.545 179.883 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.14 123.77 2.31 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.694 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -70.96 -50.49 33.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -1.115 . . . . 2.64 109.635 179.969 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.94 -47.79 81.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.281 -0.887 . . . . 2.22 109.719 -179.74 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.25 -39.26 86.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.262 -0.899 . . . . 2.74 109.616 -179.863 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.52 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.5 t80 -55.39 -53.15 59.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.43 109.712 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -37.46 42.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 1.69 109.925 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -62.61 -47.37 84.06 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.3 -0.875 . . . . 0.43 110.13 -179.358 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.99 -51.16 70.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.135 -0.978 . . . . 0.27 109.416 -179.766 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -51.06 -35.24 33.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.84 . . . . 2.45 109.73 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.94 -52.72 63.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 1.75 109.978 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' C' ' 344' ' ' LEU . 72.4 mt -60.37 -34.67 74.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.31 109.172 -179.881 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.457 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.3 t-20 -59.26 -52.3 66.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 1.22 109.426 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.31 -29.89 71.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.73 109.802 -179.819 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.98 -55.9 24.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.28 109.953 -179.672 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.11 -42.18 98.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.223 -0.923 . . . . 0.31 109.523 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -59.38 -36.89 76.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.32 -0.862 . . . . 1.91 109.632 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.774 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -66.04 -36.97 84.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.43 109.231 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.1 tppp? -60.54 -46.77 88.96 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.694 -0.854 . . . . 1.57 108.694 179.47 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.91 -31.25 62.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.604 -0.685 . . . . 1.44 109.319 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.72 80.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.87 . . . . 0.64 109.524 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.614 ' OE1' HD21 ' C' ' 350' ' ' LEU . 4.5 mt-30 -83.31 -13.64 54.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 1.21 109.407 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.21 -14.14 61.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.22 109.102 179.664 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.95 3.09 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.645 -1.382 . . . . 1.5 109.645 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 151.63 23.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -1.155 . . . . 4.18 109.339 -179.855 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.48 131.74 18.71 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 5.67 109.53 -179.687 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.28 157.99 37.63 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.097 1.865 . . . . 5.65 110.257 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.538 -1.425 . . . . 7.27 109.538 179.869 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 2.2 mmmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.4 -0.592 . . . . 7.33 109.4 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 33.3 20.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.927 . . . . 7.21 109.543 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 58.49 84.74 0.2 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 6.47 109.682 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 319' ' ' LYS . 1.8 Cg_endo -68.63 -1.07 6.87 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.159 1.906 . . . . 4.53 110.807 179.912 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 323' ' ' LEU . 14.1 mt -85.15 46.61 1.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.036 -1.04 . . . . 4.35 109.698 179.981 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -81.12 -79.52 0.16 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.329 -0.857 . . . . 2.48 109.857 -179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 145.8 43.89 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.855 -1.298 . . . . 0.98 109.855 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -61.61 138.31 58.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 1.7 109.542 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 9.4 m-85 -96.05 160.78 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.334 -0.854 . . . . 0.61 109.656 179.924 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 329' ' ' THR . 97.5 m-85 -137.8 -169.53 2.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.105 -0.997 . . . . 0.58 109.424 179.97 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 22.0 p -154.17 154.48 33.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.96 . . . . 0.42 109.498 -179.829 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' C' ' 345' ' ' ASN . 21.1 tp -146.8 133.95 20.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.36 109.588 -179.831 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -86.67 129.5 34.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.805 . . . . 1.37 109.747 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.1 mt -124.12 109.63 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.47 109.388 179.68 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 1.9 ttt-85 -73.24 153.82 40.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 2.1 109.689 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.64 133.6 6.41 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.703 -1.359 . . . . 0.42 109.703 179.681 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttm180 -68.84 -57.62 5.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.43 -1.041 . . . . 2.68 109.496 179.846 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.43 -39.88 81.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 2.22 109.613 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.12 -48.34 80.5 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.209 -0.932 . . . . 2.77 109.949 -179.761 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' C' ' 329' ' ' THR . 19.1 t80 -55.1 -60.19 3.72 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.41 -0.806 . . . . 0.43 109.807 -179.853 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.46 -34.12 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 1.66 110.065 -179.69 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.24 -51.49 63.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.117 -0.99 . . . . 0.44 110.248 -179.314 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.714 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.9 m-85 -61.56 -54.67 39.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.141 -0.975 . . . . 0.29 109.346 -179.733 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.96 -34.08 19.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.45 -0.781 . . . . 2.44 109.53 179.826 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.81 -51.45 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 1.74 109.747 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' B' ' 344' ' ' LEU . 64.5 mt -60.99 -34.46 74.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.148 -0.97 . . . . 0.3 109.141 179.766 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.554 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.5 t-20 -59.19 -53.84 53.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.456 -0.778 . . . . 1.22 109.61 179.72 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.61 -31.1 72.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.414 -0.804 . . . . 1.72 109.995 -179.763 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.09 -55.77 28.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.24 -0.912 . . . . 0.27 109.942 -179.715 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.06 -43.55 98.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.887 . . . . 0.29 109.627 -179.689 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.46 -33.33 71.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.233 -0.917 . . . . 1.91 109.478 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 10.4 tp -65.15 -44.53 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.256 -0.902 . . . . 0.41 109.206 179.914 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.55 -48.84 79.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.479 -0.763 . . . . 1.56 109.147 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.79 -33.29 66.52 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.566 -0.709 . . . . 1.43 109.734 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.72 82.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.66 109.702 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -82.21 -9.04 59.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.24 -0.912 . . . . 1.18 109.59 -179.852 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.12 -22.68 61.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.982 . . . . 1.23 109.164 179.748 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 17.17 37.51 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.84 -1.304 . . . . 1.54 109.84 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -85.11 138.67 32.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.19 -1.183 . . . . 4.18 109.613 -179.868 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -49.94 123.41 15.43 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.35 -0.844 . . . . 5.71 109.535 -179.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.78 133.72 46.5 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.042 1.828 . . . . 5.61 110.247 179.91 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 118.051 -1.416 . . . . 7.24 109.592 179.889 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.411 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 2.3 mmmt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.336 0.589 . . . . 7.34 109.512 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.71 33.31 20.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 7.17 109.511 179.923 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 35.4 mttm 58.45 84.84 0.2 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 6.44 109.66 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' B' ' 319' ' ' LYS . 1.9 Cg_endo -68.78 -0.92 6.77 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.223 1.949 . . . . 4.54 110.76 179.901 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' B' ' 323' ' ' LEU . 14.0 mt -85.33 46.59 1.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.961 -1.087 . . . . 4.32 109.696 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -81.14 -79.61 0.16 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.355 -0.841 . . . . 2.47 109.88 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 145.92 44.66 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.963 -1.255 . . . . 0.95 109.963 -179.652 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.86 138.41 58.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -1.069 . . . . 1.61 109.48 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -96.11 160.72 14.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.57 109.558 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 97.5 m-85 -137.76 -169.41 2.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.53 109.44 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 22.2 p -154.18 154.63 33.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.17 -0.956 . . . . 0.38 109.517 -179.867 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.6 tp -146.96 133.9 20.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.36 109.627 -179.814 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 28.8 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.461 -0.774 . . . . 1.36 109.712 -179.716 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.1 mt -123.98 109.69 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.49 109.386 179.701 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.504 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.9 ttt-85 -73.38 153.64 40.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 2.1 109.696 -179.888 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.67 133.47 6.37 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.843 -1.303 . . . . 0.44 109.843 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.73 -57.62 5.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -1.092 . . . . 2.72 109.518 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.27 -40.07 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -0.88 . . . . 2.21 109.564 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.01 -48.47 79.94 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.266 -0.896 . . . . 2.79 109.913 -179.701 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 19.3 t80 -55.09 -60.09 3.85 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.37 -0.831 . . . . 0.45 109.783 -179.753 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.45 -34.26 24.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.68 110.009 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.21 -51.45 63.65 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.243 -0.91 . . . . 0.43 110.301 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.715 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.7 m-85 -61.55 -54.76 38.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.136 -0.977 . . . . 0.28 109.334 -179.744 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.76 -34.19 18.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 2.52 109.505 179.8 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -60.82 -51.42 69.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 1.75 109.782 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' A' ' 344' ' ' LEU . 65.4 mt -60.96 -34.53 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 0.31 109.108 179.819 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.516 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.5 t-20 -59.08 -53.92 52.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.391 -0.818 . . . . 1.21 109.591 179.699 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.58 -31.04 72.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.385 -0.822 . . . . 1.69 110.033 -179.732 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.27 -55.73 28.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.27 109.882 -179.617 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.98 -43.6 98.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 0.3 109.64 -179.706 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.46 -33.29 71.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 1.93 109.465 179.908 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.08 -44.46 88.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.914 . . . . 0.4 109.338 179.815 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 17.7 ttmm -61.75 -48.8 79.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 1.59 109.073 179.749 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -56.77 -33.28 66.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.741 . . . . 1.43 109.777 179.745 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.62 82.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.65 109.725 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -82.35 -8.84 59.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.19 109.691 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -22.54 61.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.168 -0.957 . . . . 1.22 109.168 179.754 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.94 17.22 37.77 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.812 -1.315 . . . . 1.53 109.812 179.97 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -85.26 138.53 32.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.107 -1.231 . . . . 4.21 109.565 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -49.74 123.31 14.64 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 5.68 109.508 -179.847 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.71 133.83 47.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 121.987 1.791 . . . . 5.57 110.208 179.841 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.08 -1.4 . . . . 7.2 109.698 179.903 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.414 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 2.3 mmmt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.315 0.578 . . . . 8.96 109.561 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.57 33.2 20.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.194 -0.941 . . . . 8.15 109.634 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 35.3 mttm 58.52 84.79 0.2 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 7.15 109.655 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' C' ' 319' ' ' LYS . 2.0 Cg_endo -68.66 -0.92 6.66 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.156 1.904 . . . . 4.35 110.806 179.825 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' C' ' 323' ' ' LEU . 13.9 mt -85.44 46.71 1.33 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 4.63 109.584 -179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -81.16 -79.51 0.16 Allowed 'General case' 0 C--N 1.294 -1.804 0 O-C-N 121.424 -0.798 . . . . 2.85 109.973 -179.819 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.87 145.59 43.6 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.004 -1.239 . . . . 1.12 110.004 -179.742 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.43 138.3 58.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -1.014 . . . . 2.11 109.573 179.931 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 9.4 m-85 -95.99 160.99 14.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.207 -0.933 . . . . 0.64 109.506 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.4 m-85 -138.05 -169.65 2.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.49 109.424 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 22.0 p -154.11 154.51 33.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.47 109.551 -179.936 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.3 tp -146.72 133.84 20.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.42 109.612 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 28.5 tt0 -86.7 129.45 34.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 1.81 109.685 -179.757 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' C' ' 341' ' ' PHE . 30.8 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.21 -0.931 . . . . 0.42 109.347 179.661 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.498 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.0 ttt-85 -73.36 153.86 40.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.35 109.647 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.54 133.35 6.27 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.758 -1.337 . . . . 0.41 109.758 179.621 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.63 -57.67 5.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.242 -1.152 . . . . 2.59 109.448 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.37 -39.85 80.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 2.54 109.62 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.446 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.1 -48.42 80.25 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.234 -0.917 . . . . 3.39 109.803 -179.696 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 329' ' ' THR . 19.4 t80 -55.27 -59.97 4.04 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.387 -0.821 . . . . 0.47 109.816 -179.691 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.49 -34.19 24.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.308 -0.87 . . . . 1.66 110.039 -179.771 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -64.16 -51.58 63.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.093 -1.005 . . . . 0.61 110.256 -179.306 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.5 m-85 -61.56 -54.65 40.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.235 -0.916 . . . . 0.33 109.354 -179.677 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.0 -34.0 19.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.375 -0.828 . . . . 3.28 109.472 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.88 -51.38 69.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.16 -0.963 . . . . 1.78 109.711 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.11 -34.43 74.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.38 109.037 179.84 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.506 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.5 t-20 -59.09 -53.94 52.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.502 -0.748 . . . . 1.2 109.529 179.738 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.64 -31.16 72.25 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.347 -0.845 . . . . 2.12 109.897 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.14 -55.72 29.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 0.26 109.924 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.01 -43.66 98.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.42 -0.8 . . . . 0.4 109.584 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.43 -33.3 71.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 2.09 109.507 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 10.5 tp -65.13 -44.4 88.79 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.75 109.311 179.819 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -48.88 78.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.512 -0.743 . . . . 2.19 109.03 179.767 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.64 -33.37 66.25 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.496 -0.752 . . . . 1.34 109.682 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.67 82.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.72 109.747 -179.661 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.483 ' OE1' HD11 ' D' ' 350' ' ' LEU . 33.7 mt-30 -82.26 -8.84 59.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.189 -0.944 . . . . 1.8 109.703 -179.915 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.23 -22.67 61.21 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 1.39 109.146 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.84 17.12 37.85 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.738 -1.345 . . . . 1.66 109.738 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -85.17 138.65 32.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.091 -1.241 . . . . 4.45 109.597 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -49.84 123.37 15.04 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.333 -0.854 . . . . 6.19 109.598 -179.852 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.86 133.89 47.17 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.003 1.802 . . . . 5.58 110.14 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.964 -1.464 . . . . 6.9 109.553 179.828 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 2.3 mmmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.438 -0.578 . . . . 7.36 109.438 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.5 33.32 20.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 7.15 109.636 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 35.3 mttm 58.49 84.75 0.2 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.244 -0.91 . . . . 6.5 109.717 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' D' ' 319' ' ' LYS . 2.0 Cg_endo -68.65 -1.04 6.84 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.142 1.895 . . . . 4.5 110.864 179.849 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' D' ' 323' ' ' LEU . 14.1 mt -85.24 46.61 1.31 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.962 -1.086 . . . . 4.32 109.687 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -81.13 -79.58 0.16 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.314 -0.866 . . . . 2.46 109.907 -179.765 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.84 145.74 43.89 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.903 -1.279 . . . . 0.97 109.903 -179.668 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.56 138.21 58.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.442 -1.034 . . . . 1.67 109.552 179.906 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 9.3 m-85 -95.95 160.73 14.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.61 109.59 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.423 ' O ' HG23 ' D' ' 329' ' ' THR . 97.5 m-85 -137.75 -169.53 2.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.161 -0.962 . . . . 0.56 109.498 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 22.0 p -154.16 154.6 33.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.43 109.509 -179.854 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.4 tp -146.92 133.94 20.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.22 -0.925 . . . . 0.35 109.628 -179.836 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 28.5 tt0 -86.62 129.38 34.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.856 . . . . 1.37 109.714 -179.743 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.1 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.859 . . . . 0.48 109.381 179.615 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.492 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.9 ttt-85 -73.42 153.71 40.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.273 -0.892 . . . . 2.08 109.709 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.63 133.23 6.26 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.828 -1.309 . . . . 0.4 109.828 179.703 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -68.46 -57.69 5.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -1.103 . . . . 2.64 109.571 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.25 -40.01 80.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.413 -0.804 . . . . 2.22 109.621 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.287 -0.883 . . . . 2.74 109.9 -179.63 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 19.3 t80 -55.16 -60.02 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.488 -0.758 . . . . 0.43 109.878 -179.808 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.56 -34.22 24.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 1.69 109.939 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.17 -51.42 63.88 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.107 -0.996 . . . . 0.43 110.296 -179.328 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -61.59 -54.72 39.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 0.27 109.323 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -49.95 -34.0 19.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 2.45 109.573 179.854 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.85 -51.39 69.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.063 -1.023 . . . . 1.75 109.778 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -61.05 -34.38 74.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.31 109.156 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.518 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.5 t-20 -59.12 -53.9 53.11 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.354 -0.841 . . . . 1.22 109.648 179.642 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.68 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.826 . . . . 1.73 109.937 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.16 -55.86 27.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.28 109.854 -179.656 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.99 -43.48 98.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.376 -0.827 . . . . 0.31 109.669 -179.699 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.44 -33.34 71.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 1.91 109.432 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.483 HD11 ' OE1' ' C' ' 354' ' ' GLN . 10.5 tp -65.11 -44.49 88.58 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.43 109.273 179.875 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.739 . . . . 1.57 109.113 179.755 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.62 -33.35 66.19 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.59 -0.694 . . . . 1.44 109.719 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.61 82.61 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.64 109.681 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -82.25 -9.0 59.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.21 109.613 -179.946 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.17 -22.61 61.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 1.22 109.174 179.794 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.85 17.18 37.58 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.782 -1.327 . . . . 1.5 109.782 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -85.21 138.71 32.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -1.194 . . . . 4.18 109.549 -179.823 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -49.84 123.28 14.91 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 5.67 109.523 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.74 133.81 47.13 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.935 1.757 . . . . 5.65 110.217 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 117.946 -1.474 . . . . 7.27 109.529 179.839 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.445 -0.576 . . . . 7.33 109.445 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 18.0 mtpt 61.44 22.07 12.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 7.21 109.553 179.93 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 6.1 mtmt 60.16 84.33 0.2 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.254 -0.904 . . . . 6.47 109.492 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.63 144.24 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.137 1.891 . . . . 4.53 110.064 179.829 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.8 mt -80.51 106.69 12.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.15 -0.969 . . . . 4.35 109.549 -179.767 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.407 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 5.5 m-20 -81.0 -164.78 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.411 -0.806 . . . . 2.48 109.561 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.57 174.97 34.44 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.493 -1.443 . . . . 0.98 109.493 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.85 135.51 57.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.208 -1.172 . . . . 1.7 109.264 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' HB3' ' CD ' ' C' ' 331' ' ' GLN . 42.3 m-85 -93.07 160.33 14.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.61 109.559 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.1 2.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 0.58 109.389 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.6 p -155.35 151.84 28.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 0.42 109.487 -179.873 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -147.24 131.42 17.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.226 -0.921 . . . . 0.36 109.47 -179.626 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.9 tt0 -86.67 134.01 33.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.89 . . . . 1.37 109.726 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.8 mt -124.15 115.15 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.47 109.359 179.563 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.404 ' CZ ' ' H ' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -74.06 145.92 44.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 2.1 109.731 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.57 135.04 8.51 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.868 -1.293 . . . . 0.42 109.868 179.639 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 39.8 ttm180 -71.06 -56.94 5.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.458 -1.025 . . . . 2.68 109.569 179.877 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.31 -39.54 79.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -0.864 . . . . 2.22 109.577 -179.894 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.466 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.73 -46.36 84.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.128 -0.983 . . . . 2.77 109.904 -179.579 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.8 t80 -55.23 -59.13 5.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.43 109.713 -179.73 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.24 -35.9 39.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 1.66 110.05 -179.571 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.22 -49.96 72.12 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.23 -0.919 . . . . 0.44 110.35 -179.036 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.0 m-85 -62.4 -51.6 66.93 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.103 -0.998 . . . . 0.29 109.338 -179.648 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -50.22 -36.33 30.36 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.776 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.91 -50.13 74.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.032 -1.042 . . . . 1.74 109.638 -179.695 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' B' ' 344' ' ' LEU . 95.9 mt -61.7 -33.16 73.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.231 -0.918 . . . . 0.3 108.995 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.62 -55.6 32.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 1.22 109.671 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.59 -31.8 73.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 1.72 110.122 -179.422 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -57.55 12.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.109 -0.994 . . . . 0.27 110.025 -179.605 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.72 -41.36 95.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.29 109.642 -179.435 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.42 -34.49 74.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.235 -0.916 . . . . 1.91 109.735 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.2 tt -65.7 -46.5 78.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.41 109.476 -179.485 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.2 -40.08 92.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.56 108.945 179.694 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.59 -32.49 65.28 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.602 -0.686 . . . . 1.43 109.747 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.66 -53.33 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.66 109.556 -179.763 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.47 4.22 18.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 1.18 109.679 179.841 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.27 -80.33 0.06 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.161 -0.962 . . . . 1.23 110.199 -179.615 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.21 10.37 35.36 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.292 -0.956 . . . . 1.54 110.777 -178.917 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 47.4 tttt -87.19 95.44 9.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.355 . . . . 4.18 109.581 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.33 130.17 42.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.342 -0.849 . . . . 5.71 109.393 -179.991 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.9 122.79 11.48 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 121.965 1.777 . . . . 5.61 110.202 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 118.013 -1.437 . . . . 7.24 109.546 179.912 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.476 -0.564 . . . . 7.34 109.476 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 17.9 mtpt 61.31 22.15 12.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.325 -0.859 . . . . 7.17 109.58 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 6.1 mtmt 60.13 84.31 0.2 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 6.44 109.435 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.62 144.23 99.51 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.17 1.913 . . . . 4.54 110.103 179.775 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.54 106.78 12.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.113 -0.992 . . . . 4.32 109.681 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.404 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 5.5 m-20 -81.01 -164.52 0.75 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.47 109.578 -179.919 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.87 175.0 35.47 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.447 -1.461 . . . . 0.95 109.447 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.67 135.45 57.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.183 -1.187 . . . . 1.61 109.317 179.83 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 41.8 m-85 -93.1 160.18 14.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.199 -0.938 . . . . 0.57 109.511 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 99.5 m-85 -137.08 -168.37 2.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.53 109.429 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -155.1 151.89 28.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -0.958 . . . . 0.38 109.547 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -147.14 131.67 17.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.36 109.507 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.8 tt0 -86.99 133.82 33.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 1.36 109.653 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' B' ' 341' ' ' PHE . 37.7 mt -124.04 115.33 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.49 109.361 179.586 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 145.93 43.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.169 -0.957 . . . . 2.1 109.587 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.84 8.43 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.887 -1.285 . . . . 0.44 109.887 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 39.9 ttm180 -70.95 -56.97 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.72 109.571 179.869 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.18 -39.57 79.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 2.21 109.677 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.69 -46.32 84.47 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.33 -0.856 . . . . 2.79 109.942 -179.566 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.8 t80 -55.29 -59.11 5.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.37 -0.831 . . . . 0.45 109.702 -179.718 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.32 -35.84 39.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 1.68 110.038 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.2 -50.08 71.71 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.159 -0.963 . . . . 0.43 110.298 -179.075 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.2 m-85 -62.38 -51.48 67.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.072 . . . . 0.28 109.409 -179.646 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.21 -36.53 31.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.38 -0.825 . . . . 2.52 109.742 179.922 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.82 -50.11 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.077 -1.014 . . . . 1.75 109.665 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 344' ' ' LEU . 95.9 mt -61.76 -33.16 73.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.31 108.997 179.827 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.49 -55.72 31.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -0.8 . . . . 1.21 109.616 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.57 -31.6 72.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -0.835 . . . . 1.69 110.131 -179.373 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.32 -57.46 12.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.27 110.054 -179.547 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.8 -41.23 95.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.3 109.649 -179.465 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.48 -34.52 74.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.93 109.706 -179.965 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.2 tt -65.67 -46.47 78.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.921 . . . . 0.4 109.533 -179.514 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.22 -40.0 92.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 1.59 108.976 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.63 -32.6 65.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.684 -0.635 . . . . 1.43 109.606 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.56 -53.36 35.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.65 109.637 -179.799 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.38 3.97 19.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.314 -0.866 . . . . 1.19 109.623 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.05 -80.35 0.06 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.22 110.289 -179.618 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.2 10.37 35.3 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 120.245 -0.978 . . . . 1.53 110.804 -178.945 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 47.3 tttt -87.17 95.35 9.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.8 -1.412 . . . . 4.21 109.566 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.26 130.07 41.94 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.321 -0.862 . . . . 5.68 109.506 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.9 122.75 11.43 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.948 1.765 . . . . 5.57 110.18 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.984 -1.453 . . . . 7.2 109.583 179.952 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.254 0.55 . . . . 8.96 109.524 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 17.9 mtpt 61.36 22.19 12.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.283 -0.886 . . . . 8.15 109.517 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 6.1 mtmt 60.15 84.28 0.2 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.315 -0.865 . . . . 7.15 109.483 179.934 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.57 144.26 99.51 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.157 1.905 . . . . 4.35 110.027 179.841 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.5 106.71 12.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.119 -0.988 . . . . 4.63 109.602 -179.888 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 5.5 m-20 -81.07 -164.67 0.78 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 2.85 109.648 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.404 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -69.58 174.9 34.61 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.488 -1.445 . . . . 1.12 109.488 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -58.69 135.51 57.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -1.129 . . . . 2.11 109.298 179.764 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 42.8 m-85 -93.18 160.35 14.88 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.121 -0.987 . . . . 0.64 109.499 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.505 ' O ' HG23 ' C' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.18 2.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.49 109.302 -179.905 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.7 p -155.35 151.78 28.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.47 109.526 -179.923 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.1 131.4 17.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.42 109.484 -179.585 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.9 tt0 -86.63 133.99 33.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.81 109.733 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' C' ' 341' ' ' PHE . 37.3 mt -124.2 115.21 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 0.42 109.413 179.517 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 145.89 44.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 2.35 109.65 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.95 8.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.568 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 39.9 ttm180 -71.11 -56.86 5.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -1.045 . . . . 2.59 109.505 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.19 -39.67 79.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 2.54 109.632 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.455 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.74 -46.33 84.6 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.312 -0.868 . . . . 3.39 109.889 -179.474 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.8 t80 -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.347 -0.846 . . . . 0.47 109.723 -179.782 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.37 -35.82 40.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.898 . . . . 1.66 110.059 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.16 -50.05 71.9 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.258 -0.901 . . . . 0.61 110.318 -179.083 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.1 m-85 -62.44 -51.45 67.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.082 -1.011 . . . . 0.33 109.359 -179.611 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.31 -36.32 31.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 3.28 109.805 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.04 -49.88 75.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.045 -1.035 . . . . 1.78 109.637 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' D' ' 344' ' ' LEU . 95.9 mt -62.05 -32.97 73.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.155 -0.966 . . . . 0.38 108.9 179.842 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.66 -55.6 32.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 1.2 109.648 179.7 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.65 -31.55 72.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.446 -0.784 . . . . 2.12 110.094 -179.386 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.46 -57.49 11.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.175 -0.953 . . . . 0.26 109.894 -179.501 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.57 -41.55 94.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.4 109.607 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.35 -34.59 74.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 2.09 109.759 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.669 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.2 tt -65.58 -46.49 79.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.75 109.54 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.24 -39.96 92.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 2.19 108.987 179.703 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.67 -32.48 65.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 1.34 109.65 179.751 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.66 -53.37 34.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.72 109.553 -179.725 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.41 4.1 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 1.8 109.686 179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.11 -80.45 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 1.39 110.114 -179.553 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.22 10.42 35.19 Favored Glycine 0 N--CA 1.493 2.455 0 C-N-CA 120.217 -0.992 . . . . 1.66 110.822 -178.843 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 47.6 tttt -87.25 95.46 9.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.786 -1.42 . . . . 4.45 109.489 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.32 130.26 42.57 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 6.19 109.449 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.98 122.74 11.39 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.908 1.738 . . . . 5.58 110.217 179.79 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 CA-C-O 117.953 -1.471 . . . . 6.9 109.611 179.934 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.37 0.605 . . . . 7.36 109.424 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 17.8 mtpt 61.3 22.18 12.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 7.15 109.547 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 6.0 mtmt 60.19 84.28 0.2 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 6.5 109.473 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.65 144.17 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.152 1.901 . . . . 4.5 110.048 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.36 106.61 12.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 4.32 109.597 -179.818 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.411 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.4 m-20 -80.93 -164.67 0.77 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.441 -0.787 . . . . 2.46 109.584 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.66 175.05 34.64 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.459 -1.456 . . . . 0.97 109.459 179.808 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.83 135.53 57.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -1.135 . . . . 1.67 109.238 179.854 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 41.6 m-85 -93.08 160.32 14.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 0.61 109.552 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.493 ' O ' HG23 ' D' ' 329' ' ' THR . 99.6 m-85 -137.21 -168.37 2.28 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.56 109.407 -179.967 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.569 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.8 p -155.32 151.33 27.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.43 109.529 -179.788 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.75 131.65 18.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.196 -0.94 . . . . 0.35 109.446 -179.622 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -86.86 133.85 33.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.327 -0.858 . . . . 1.37 109.604 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.5 mt -123.98 115.41 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.48 109.424 179.48 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 145.85 43.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.175 -0.953 . . . . 2.08 109.645 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.41 135.15 8.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.903 -1.279 . . . . 0.4 109.903 179.629 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 39.8 ttm180 -70.92 -57.11 4.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -1.124 . . . . 2.64 109.595 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.22 -39.57 79.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -0.909 . . . . 2.22 109.651 -179.921 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -46.39 84.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.248 -0.908 . . . . 2.74 109.885 -179.585 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -55.32 -58.93 5.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.43 109.724 -179.66 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.45 -35.86 41.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.396 -0.815 . . . . 1.69 110.032 -179.594 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.17 -50.0 72.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.124 -0.985 . . . . 0.43 110.354 -179.044 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.1 m-85 -62.29 -51.61 67.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.062 -1.024 . . . . 0.27 109.397 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -50.19 -36.51 30.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 2.45 109.686 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.94 -49.99 75.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 1.75 109.61 -179.516 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' C' ' 344' ' ' LEU . 95.9 mt -61.81 -33.1 73.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.295 -0.878 . . . . 0.31 108.965 179.805 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.67 -55.68 31.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 1.22 109.577 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.55 -31.52 72.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 1.73 110.173 -179.462 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.49 -57.51 11.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.28 109.979 -179.528 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.63 -41.37 94.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.31 109.655 -179.484 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -34.46 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 1.91 109.775 179.989 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.2 tt -65.69 -46.51 78.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.43 109.476 -179.558 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.05 -40.09 92.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 1.57 109.049 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.7 -32.49 65.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.631 -0.668 . . . . 1.44 109.624 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.66 -53.34 34.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.64 109.572 -179.778 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.31 3.92 19.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -0.885 . . . . 1.21 109.705 179.759 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.08 -80.32 0.06 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.279 -0.888 . . . . 1.22 110.245 -179.565 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.3 10.39 35.93 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 120.273 -0.965 . . . . 1.5 110.761 -178.929 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 47.2 tttt -87.11 95.39 9.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.836 -1.391 . . . . 4.18 109.574 179.904 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -52.25 130.15 41.84 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.288 -0.883 . . . . 5.67 109.42 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.98 122.86 11.56 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.903 1.735 . . . . 5.65 110.145 179.745 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 CA-C-O 118.048 -1.418 . . . . 7.27 109.561 179.931 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.465 -0.568 . . . . 7.33 109.465 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.27 92.57 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 7.21 109.421 -179.918 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.1 OUTLIER 57.85 63.89 4.29 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.913 . . . . 6.47 109.367 -179.847 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -67.7 -1.49 6.82 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.275 1.983 . . . . 4.53 110.973 -179.804 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 32.1 mt -81.92 94.06 7.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.984 -1.073 . . . . 4.35 109.646 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.44 -154.5 0.15 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 2.48 109.254 179.601 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 172.12 35.79 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.98 109.399 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.9 132.77 54.97 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.228 -1.16 . . . . 1.7 109.623 -179.958 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.32 160.51 14.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 0.61 109.428 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.631 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.9 m-85 -140.31 -173.75 3.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.58 109.515 -179.977 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 70.2 p -153.21 157.26 39.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.42 109.549 -179.72 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.03 130.9 16.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.941 . . . . 0.36 109.414 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.5 tt0 -86.56 131.1 34.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 1.37 109.646 -179.736 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.86 115.36 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.47 109.548 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -73.33 147.53 44.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 2.1 109.466 179.93 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.06 131.6 5.85 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.784 -1.326 . . . . 0.42 109.784 179.655 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 24.4 ttp180 -74.21 -54.03 8.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.362 179.846 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.33 -43.66 88.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 2.22 109.568 179.899 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.97 -42.8 99.03 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.305 -0.872 . . . . 2.77 109.403 179.927 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.9 t80 -55.8 -53.24 59.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.786 . . . . 0.43 109.822 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.85 -36.07 35.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 1.66 109.989 -179.688 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.29 -48.8 76.59 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.463 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -61.33 -54.79 39.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.187 -0.945 . . . . 0.29 109.384 -179.755 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -50.96 -34.55 29.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 2.44 109.544 179.84 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.64 -51.12 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.177 -0.952 . . . . 1.74 109.73 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' B' ' 344' ' ' LEU . 59.9 mt -61.65 -34.36 75.57 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.182 -0.949 . . . . 0.3 109.062 179.829 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.9 t-20 -59.07 -51.58 69.43 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.415 -0.803 . . . . 1.22 109.402 179.543 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.58 74.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 1.72 109.65 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.31 -50.6 72.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 0.27 109.92 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.521 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.3 mt -61.78 -45.62 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.29 109.739 -179.585 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -35.19 73.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.983 . . . . 1.91 109.707 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.525 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 30.5 tp -65.31 -46.05 81.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.41 109.555 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.41 -38.3 86.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.278 -0.888 . . . . 1.56 108.762 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.66 -37.06 70.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.511 -0.743 . . . . 1.43 109.345 179.668 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.286 -0.883 . . . . 0.66 109.484 179.887 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -81.51 -2.78 51.07 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.18 109.648 179.896 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.24 64.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 1.23 109.359 179.96 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -8.89 79.63 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.46 -1.456 . . . . 1.54 109.46 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -87.27 138.23 31.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.252 -1.146 . . . . 4.18 109.363 179.947 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.13 152.02 4.33 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.233 -0.917 . . . . 5.71 109.542 179.993 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.39 -163.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.198 1.932 . . . . 5.61 110.25 179.924 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 117.924 -1.487 . . . . 7.24 109.56 179.84 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.45 -0.574 . . . . 7.34 109.45 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.21 92.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -0.919 . . . . 7.17 109.437 -179.736 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.1 OUTLIER 57.95 63.91 4.22 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.906 . . . . 6.44 109.275 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.8 Cg_endo -67.77 -1.56 7.0 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.27 1.98 . . . . 4.54 110.907 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 32.3 mt -81.91 94.12 7.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.886 -1.134 . . . . 4.32 109.632 -179.94 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 5.1 m-20 -83.43 -154.64 0.15 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.368 -0.832 . . . . 2.47 109.226 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.43 172.2 35.41 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.351 -1.5 . . . . 0.95 109.351 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.0 132.75 54.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -1.165 . . . . 1.61 109.597 -179.92 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -93.31 160.58 14.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.57 109.462 179.878 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.9 m-85 -140.35 -173.79 3.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 0.53 109.483 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 71.9 p -153.19 157.4 40.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 0.38 109.632 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.18 130.89 15.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.927 . . . . 0.36 109.272 -179.884 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.5 tt0 -86.53 131.23 34.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.36 109.632 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.6 mt -123.98 115.41 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.49 109.569 179.759 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 6.1 ttt180 -73.47 147.65 43.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 2.1 109.587 179.933 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 92.96 131.63 5.83 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.811 -1.315 . . . . 0.44 109.811 179.767 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.456 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 24.3 ttp180 -74.22 -53.93 8.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -1.092 . . . . 2.72 109.357 179.866 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.41 -43.67 88.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 2.21 109.428 179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' D' ' 348' ' ' LEU . 0.2 OUTLIER -61.06 -42.59 98.78 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.394 -0.816 . . . . 2.79 109.423 -179.95 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.0 t80 -55.97 -53.27 58.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.419 -0.8 . . . . 0.45 109.741 -179.846 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.78 -36.09 35.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.307 -0.87 . . . . 1.68 109.994 -179.693 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.23 -48.83 76.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.137 -0.977 . . . . 0.43 110.133 -179.458 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.3 m-85 -61.35 -54.77 39.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.957 . . . . 0.28 109.408 -179.766 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -50.9 -34.52 28.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.395 -0.816 . . . . 2.52 109.619 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.68 -51.22 70.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 1.75 109.666 -179.849 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' A' ' 344' ' ' LEU . 59.8 mt -61.66 -34.21 75.32 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.294 -0.879 . . . . 0.31 109.109 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.612 ' HB2' HD21 ' D' ' 330' ' ' LEU . 16.0 t-20 -59.09 -51.7 68.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.21 109.333 179.534 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.07 -32.67 74.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 1.69 109.675 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.19 -50.64 72.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.27 109.939 -179.796 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.494 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.3 mt -61.72 -45.64 93.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.3 109.773 -179.604 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.54 -35.31 73.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.93 109.679 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 30.2 tp -65.24 -46.05 82.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.4 109.543 -179.781 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.41 -38.36 86.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 1.59 108.823 179.796 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.56 -36.98 69.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.567 -0.708 . . . . 1.43 109.416 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.2 78.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.306 -0.871 . . . . 0.65 109.41 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -81.47 -2.84 51.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.19 109.61 -179.997 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.22 64.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.072 -1.017 . . . . 1.22 109.311 179.969 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -9.03 79.43 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.363 -1.495 . . . . 1.53 109.363 179.76 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.21 138.14 31.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -1.176 . . . . 4.21 109.396 179.967 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.04 151.96 4.21 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 5.68 109.54 179.973 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.45 -163.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.195 1.93 . . . . 5.57 110.231 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.954 -1.47 . . . . 7.2 109.567 179.974 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.278 0.561 . . . . 8.96 109.512 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.28 92.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 8.15 109.414 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.1 OUTLIER 58.02 63.78 4.24 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 7.15 109.337 -179.954 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.8 Cg_endo -67.71 -1.49 6.85 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.24 1.96 . . . . 4.35 110.978 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.89 94.03 7.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.937 -1.102 . . . . 4.63 109.67 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 5.1 m-20 -83.45 -154.49 0.15 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.507 -0.746 . . . . 2.85 109.294 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 172.24 35.59 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.302 -1.519 . . . . 1.12 109.302 179.773 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.07 132.86 55.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -1.143 . . . . 2.11 109.588 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 10.4 m-85 -93.33 160.45 14.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 0.64 109.45 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.9 m-85 -140.26 -173.81 3.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.49 109.474 -179.979 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 70.8 p -153.06 157.37 40.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.169 -0.957 . . . . 0.47 109.639 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.05 130.78 16.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.91 . . . . 0.42 109.427 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.5 tt0 -86.52 131.11 34.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 1.81 109.73 -179.851 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.82 115.41 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.893 . . . . 0.42 109.577 179.763 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -73.4 147.5 44.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 2.35 109.556 179.843 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.0 131.69 5.87 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.836 -1.305 . . . . 0.41 109.836 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.631 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 24.2 ttp180 -74.31 -53.92 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -1.1 . . . . 2.59 109.341 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.38 -43.88 88.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.335 -0.853 . . . . 2.54 109.468 179.98 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.445 ' NH2' ' HB2' ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.83 -42.71 98.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.334 -0.854 . . . . 3.39 109.439 179.971 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.537 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.0 t80 -55.89 -53.26 58.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.484 -0.76 . . . . 0.47 109.79 -179.847 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.86 -36.1 36.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 1.66 109.928 -179.659 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.23 -48.9 76.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.116 -0.99 . . . . 0.61 110.075 -179.456 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.5 m-85 -61.25 -54.91 38.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.33 109.403 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.52 28.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 3.28 109.61 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -60.73 -51.05 71.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 1.78 109.71 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' D' ' 344' ' ' LEU . 59.0 mt -61.74 -34.26 75.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -0.906 . . . . 0.38 109.048 179.791 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.732 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.9 t-20 -59.09 -51.65 69.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.382 -0.824 . . . . 1.2 109.26 179.618 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.16 -32.57 74.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.85 . . . . 2.12 109.612 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.41 -50.52 72.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.26 109.899 -179.724 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.3 mt -61.7 -45.78 92.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.206 -0.934 . . . . 0.4 109.731 -179.652 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.47 -35.23 73.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.09 109.683 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 30.5 tp -65.24 -46.21 81.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.75 109.576 -179.817 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.21 -38.43 86.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.407 -0.808 . . . . 2.19 108.846 179.802 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.54 -37.01 69.91 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.472 -0.768 . . . . 1.34 109.395 179.587 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.16 78.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.72 109.368 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -81.54 -2.77 51.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 1.8 109.643 -179.933 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.17 -27.34 64.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.194 -0.941 . . . . 1.39 109.334 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -8.98 79.9 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.471 -1.452 . . . . 1.66 109.471 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.19 138.08 31.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -1.134 . . . . 4.45 109.455 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.12 151.93 4.39 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 6.19 109.541 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.46 -163.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.228 1.952 . . . . 5.58 110.216 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 117.975 -1.459 . . . . 6.9 109.586 -179.987 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.525 -0.546 . . . . 7.36 109.525 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.34 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 7.15 109.43 -179.83 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.1 OUTLIER 57.92 63.9 4.24 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 6.5 109.309 -179.918 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.8 Cg_endo -67.84 -1.48 6.93 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.227 1.951 . . . . 4.5 110.926 -179.802 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 31.8 mt -81.85 93.99 6.98 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.979 -1.076 . . . . 4.32 109.712 -179.973 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.1 m-20 -83.42 -154.44 0.15 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.47 -0.769 . . . . 2.46 109.27 179.699 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.53 172.23 35.73 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.334 -1.506 . . . . 0.97 109.334 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.06 132.83 55.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.219 -1.166 . . . . 1.67 109.64 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 10.7 m-85 -93.3 160.59 14.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.61 109.419 179.934 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.9 m-85 -140.4 -173.75 3.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.56 109.438 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.435 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 69.3 p -153.17 157.39 40.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.253 -0.905 . . . . 0.43 109.575 -179.666 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.18 130.9 15.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.375 -0.828 . . . . 0.35 109.37 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 5.5 tt0 -86.65 131.33 34.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.37 109.599 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.7 mt -124.0 115.43 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.48 109.446 179.873 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 6.0 ttt180 -73.42 147.58 44.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 2.08 109.469 179.901 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 93.0 131.6 5.83 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.676 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 24.4 ttp180 -74.19 -53.92 8.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -1.121 . . . . 2.64 109.41 179.806 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.44 -43.76 88.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 2.22 109.463 179.988 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.89 -42.68 98.44 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.278 -0.889 . . . . 2.74 109.434 179.953 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' D' ' 332' ' ' ILE . 45.2 t80 -55.84 -53.32 58.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.43 109.718 -179.838 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -50.92 -36.07 36.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 1.69 109.881 -179.534 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.15 -48.97 76.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.195 -0.941 . . . . 0.43 110.119 -179.444 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.63 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.8 m-85 -61.2 -54.83 39.31 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.126 -0.984 . . . . 0.27 109.446 -179.793 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.53 28.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 2.45 109.603 179.835 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.7 -51.27 70.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 1.75 109.652 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' C' ' 344' ' ' LEU . 60.6 mt -61.58 -34.31 75.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.247 -0.908 . . . . 0.31 109.104 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.661 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.9 t-20 -59.06 -51.68 69.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.384 -0.823 . . . . 1.22 109.315 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.14 -32.63 74.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.821 . . . . 1.73 109.613 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -50.56 72.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 0.28 109.945 -179.733 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.516 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.2 mt -61.77 -45.67 92.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.31 109.731 -179.698 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.51 -35.3 73.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 1.91 109.635 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.5 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 30.7 tp -65.23 -46.1 81.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.814 . . . . 0.43 109.582 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.27 -38.34 86.37 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.37 -0.831 . . . . 1.57 108.876 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.61 -36.97 70.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.488 -0.757 . . . . 1.44 109.43 179.54 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.13 78.44 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.64 109.478 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -81.62 -2.7 51.14 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 1.21 109.641 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -27.3 64.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.075 -1.016 . . . . 1.22 109.333 179.882 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -9.03 79.51 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.387 -1.485 . . . . 1.5 109.387 179.817 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.22 138.16 31.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -1.119 . . . . 4.18 109.352 179.983 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.11 151.98 4.33 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.891 . . . . 5.67 109.487 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.42 -163.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.179 1.92 . . . . 5.65 110.192 179.935 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.028 -1.429 . . . . 7.27 109.533 179.889 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.443 -0.577 . . . . 7.33 109.443 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.5 mttp 60.69 94.34 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.899 . . . . 7.21 109.464 -179.955 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 57.16 60.78 6.87 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 6.47 109.488 -179.967 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -64.27 81.06 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.369 2.046 . . . . 4.53 110.662 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 323' ' ' LEU . 53.2 mt -82.79 108.84 16.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.932 . . . . 4.35 109.17 179.473 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.08 96.57 7.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.108 -0.995 . . . . 2.48 109.917 -179.737 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.561 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -74.11 150.4 42.36 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.353 -1.499 . . . . 0.98 109.353 179.262 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 27.9 mt-10 -60.78 121.36 12.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.196 -1.179 . . . . 1.7 109.237 179.409 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 71.3 m-85 -95.51 146.34 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.14 -0.975 . . . . 0.61 109.775 179.937 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.8 m-85 -137.62 -173.19 3.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.205 -0.934 . . . . 0.58 109.376 179.926 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.9 p -152.55 164.77 36.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 0.42 109.255 -179.941 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.28 131.95 16.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.36 109.62 -179.68 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.46 127.79 34.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.342 -0.849 . . . . 1.37 109.132 179.755 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 338' ' ' PHE . 40.0 mt -123.53 109.54 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.141 -0.975 . . . . 0.47 109.879 -179.841 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.535 ' CZ ' ' HA3' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -74.57 129.28 37.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.436 -0.79 . . . . 2.1 109.136 179.614 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.452 ' HA2' ' NH2' ' A' ' 333' ' ' ARG . . . 116.72 129.86 4.39 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.583 -1.407 . . . . 0.42 109.583 -179.966 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -76.82 -57.58 3.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -1.172 . . . . 2.68 109.423 179.906 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.54 -44.36 89.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 2.22 109.323 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -44.07 95.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.325 -0.859 . . . . 2.77 109.405 179.996 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 62.7 t80 -55.62 -53.23 59.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.43 109.749 -179.873 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.44 -37.21 36.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 1.66 110.035 -179.628 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.71 81.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.514 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.02 -53.54 55.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.29 109.283 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.91 -35.57 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.854 . . . . 2.44 109.546 179.763 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.14 -51.14 70.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.74 109.952 -179.644 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.3 109.019 -179.975 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.14 -53.65 55.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.468 -0.77 . . . . 1.22 109.448 179.586 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.99 -31.79 73.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.72 110.023 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.76 -54.14 48.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.27 110.006 -179.704 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.07 -41.27 96.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.29 109.567 -179.745 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.42 -34.99 74.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.91 109.447 179.868 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.01 -46.66 80.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.349 -0.844 . . . . 0.41 109.521 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.2 -40.97 95.94 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.911 -0.774 . . . . 1.56 108.911 179.813 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -31.13 67.22 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.613 -0.679 . . . . 1.43 109.574 179.661 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.77 81.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.66 109.616 -179.673 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.35 -9.72 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 1.18 109.419 179.914 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.91 -50.72 21.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 1.23 109.453 179.729 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.08 13.82 52.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.892 -1.283 . . . . 1.54 109.892 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.22 124.35 31.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.238 . . . . 4.18 109.34 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.55 111.54 1.89 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 5.71 109.716 -179.762 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.1 153.51 63.97 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.004 1.803 . . . . 5.61 110.236 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.039 -1.423 . . . . 7.24 109.579 179.98 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.429 -0.582 . . . . 7.34 109.429 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.78 94.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 7.17 109.453 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.531 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 57.23 60.78 6.79 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 6.44 109.484 -179.983 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -64.32 81.09 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.354 2.036 . . . . 4.54 110.683 -179.822 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 323' ' ' LEU . 53.7 mt -82.85 108.85 16.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.028 -1.045 . . . . 4.32 109.181 179.507 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.09 97.14 8.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 2.47 109.747 -179.696 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.571 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -75.41 150.43 40.23 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.062 -1.615 . . . . 0.95 109.062 179.558 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 27.8 mt-10 -60.65 121.47 12.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -1.169 . . . . 1.61 109.219 179.848 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 71.4 m-85 -95.63 146.3 24.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.164 -0.96 . . . . 0.57 109.713 -179.957 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -137.64 -173.29 3.45 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.213 -0.929 . . . . 0.53 109.408 179.876 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -152.51 164.71 37.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.132 -0.98 . . . . 0.38 109.305 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.15 132.05 17.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.23 -0.919 . . . . 0.36 109.635 -179.639 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.54 127.76 34.54 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 1.36 109.083 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.9 mt -123.47 109.5 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.13 -0.982 . . . . 0.49 109.889 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.506 ' CZ ' ' HA3' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -74.51 129.18 37.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.354 -0.841 . . . . 2.1 109.12 179.596 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' HA2' ' NH2' ' B' ' 333' ' ' ARG . . . 116.69 129.98 4.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.555 -1.418 . . . . 0.44 109.555 179.934 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -76.88 -57.56 3.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -1.137 . . . . 2.72 109.36 179.996 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.57 -44.29 89.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 2.21 109.355 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -44.0 96.24 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.268 -0.895 . . . . 2.79 109.465 179.931 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' O ' ' D' ' 329' ' ' THR . 62.1 t80 -55.77 -53.11 60.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.333 -0.854 . . . . 0.45 109.71 -179.859 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.57 -37.21 38.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 1.68 109.894 -179.548 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.67 82.08 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.027 -1.046 . . . . 0.43 110.097 -179.487 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.03 -53.55 55.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.15 -0.968 . . . . 0.28 109.306 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.96 -35.51 33.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.842 . . . . 2.52 109.521 179.773 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.14 -51.12 70.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 1.75 110.005 -179.685 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.77 -34.98 75.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.927 . . . . 0.31 109.073 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.2 -53.63 56.12 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.793 . . . . 1.21 109.485 179.643 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.93 -31.84 73.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.499 -0.75 . . . . 1.69 110.013 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.73 -54.18 48.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.27 109.938 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.04 -41.36 96.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.251 -0.906 . . . . 0.3 109.509 -179.662 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.22 -35.07 74.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 1.93 109.463 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.07 -46.57 80.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.379 -0.825 . . . . 0.4 109.505 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -61.23 -41.02 96.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.832 . . . . 1.59 108.878 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -31.06 66.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.613 -0.679 . . . . 1.43 109.668 179.642 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -45.7 81.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.65 109.557 -179.679 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.42 -9.65 59.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 1.19 109.429 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.91 -50.69 22.1 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.367 -0.833 . . . . 1.22 109.474 179.684 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.11 13.83 52.54 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.843 -1.303 . . . . 1.53 109.843 -179.81 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.37 124.4 31.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.074 -1.251 . . . . 4.21 109.261 179.956 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.49 111.36 1.8 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 5.68 109.763 -179.8 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.96 153.43 63.78 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.186 1.924 . . . . 5.57 110.229 179.847 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.019 -1.434 . . . . 7.2 109.535 179.917 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.75 94.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 8.15 109.434 179.989 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 57.16 60.9 6.8 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 7.15 109.469 -179.973 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.537 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -64.51 81.11 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.355 2.037 . . . . 4.35 110.631 -179.791 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' C' ' 323' ' ' LEU . 52.9 mt -82.82 108.93 16.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.054 -1.029 . . . . 4.63 109.12 179.509 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.04 96.73 7.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.157 -0.965 . . . . 2.85 109.882 -179.81 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -74.59 150.41 41.58 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.351 -1.5 . . . . 1.12 109.351 179.277 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.402 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 27.8 mt-10 -60.78 121.49 12.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -1.182 . . . . 2.11 109.208 179.659 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 72.1 m-85 -95.65 146.42 24.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.965 . . . . 0.64 109.586 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -137.73 -173.22 3.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.248 -0.907 . . . . 0.49 109.332 179.885 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.0 p -152.52 164.72 37.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.47 109.218 -179.872 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.21 131.99 16.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.939 . . . . 0.42 109.672 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.55 127.81 34.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.327 -0.858 . . . . 1.81 109.1 179.771 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.439 HD12 ' CD1' ' C' ' 338' ' ' PHE . 40.9 mt -123.56 109.53 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.42 109.855 -179.804 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -74.51 129.25 37.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 2.35 109.209 179.633 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' C' ' 333' ' ' ARG . . . 116.72 129.88 4.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.668 -1.373 . . . . 0.41 109.668 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -76.95 -57.47 3.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -1.142 . . . . 2.59 109.386 -179.988 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.53 -44.4 89.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 2.54 109.314 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.12 95.95 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.36 -0.838 . . . . 3.39 109.321 -179.937 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 329' ' ' THR . 62.1 t80 -55.66 -53.23 59.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.391 -0.818 . . . . 0.47 109.719 -179.783 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.34 -37.31 36.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.66 110.024 -179.675 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.08 -47.55 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.029 -1.044 . . . . 0.61 110.082 -179.43 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.15 -53.54 55.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.33 109.197 -179.839 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.97 -35.53 34.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.334 -0.854 . . . . 3.28 109.502 179.792 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.16 -51.15 70.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.158 -0.964 . . . . 1.78 109.868 -179.645 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.88 -34.95 75.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.287 -0.883 . . . . 0.38 109.068 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.07 -53.67 55.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.394 -0.816 . . . . 1.2 109.47 179.508 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.95 -31.84 73.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -0.839 . . . . 2.12 109.982 -179.677 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -54.11 49.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.26 110.024 -179.641 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.1 -41.31 96.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.4 109.538 -179.725 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.17 -35.15 74.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 2.09 109.538 179.775 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.06 -46.66 80.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.75 109.484 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.17 -40.87 95.52 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.439 -0.788 . . . . 2.19 108.998 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -31.09 67.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.602 -0.686 . . . . 1.34 109.603 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.84 81.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 0.72 109.563 -179.655 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -82.37 -9.66 59.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.8 109.419 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.82 21.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -0.871 . . . . 1.39 109.367 179.712 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 13.71 52.85 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.86 -1.296 . . . . 1.66 109.86 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.2 124.47 31.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.183 -1.186 . . . . 4.45 109.277 179.904 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.58 111.48 1.87 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 6.19 109.746 -179.799 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.04 153.49 63.79 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.087 1.858 . . . . 5.58 110.255 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.975 -1.458 . . . . 6.9 109.542 179.919 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.451 -0.574 . . . . 7.36 109.451 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.69 94.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 7.15 109.456 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 57.23 60.83 6.77 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 6.5 109.506 -179.981 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -64.39 81.13 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.355 2.037 . . . . 4.5 110.585 -179.768 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' D' ' 323' ' ' LEU . 52.8 mt -82.85 108.97 16.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.018 . . . . 4.32 109.102 179.436 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.16 96.8 7.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.15 -0.969 . . . . 2.46 109.808 -179.766 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.574 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -74.7 150.43 41.42 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.345 -1.502 . . . . 0.97 109.345 179.283 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.409 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 27.9 mt-10 -60.82 121.41 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.163 -1.198 . . . . 1.67 109.281 179.713 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 71.3 m-85 -95.4 146.25 24.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -0.976 . . . . 0.61 109.757 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -137.6 -173.21 3.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.56 109.38 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.512 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.0 p -152.56 164.67 37.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.198 -0.938 . . . . 0.43 109.294 -179.902 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.21 132.05 17.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.35 109.581 -179.664 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.55 127.75 34.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.37 109.079 179.797 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' D' ' 338' ' ' PHE . 40.5 mt -123.51 109.46 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.214 -0.929 . . . . 0.48 109.814 -179.736 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.482 ' CZ ' ' HA3' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -74.49 129.23 37.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.08 109.158 179.592 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' D' ' 333' ' ' ARG . . . 116.7 129.9 4.4 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 -179.975 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -76.87 -57.61 3.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -1.15 . . . . 2.64 109.397 -179.971 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.5 -44.45 89.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 2.22 109.275 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.04 95.93 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.403 -0.811 . . . . 2.74 109.451 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' B' ' 329' ' ' THR . 62.3 t80 -55.65 -53.21 59.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.376 -0.828 . . . . 0.43 109.697 -179.88 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.47 -37.26 37.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 1.69 109.997 -179.615 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -62.94 -47.73 81.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.175 -0.953 . . . . 0.43 110.108 -179.523 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.04 -53.54 55.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.224 -0.922 . . . . 0.27 109.258 -179.853 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.89 -35.62 33.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 2.45 109.558 179.707 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.09 -51.14 70.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 1.75 109.906 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' D' ' 344' ' ' LEU . 82.7 mt -60.87 -35.01 75.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.131 -0.98 . . . . 0.31 108.992 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.08 -53.64 56.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.817 . . . . 1.22 109.529 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.92 -31.9 73.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.451 -0.781 . . . . 1.73 109.996 -179.763 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -54.22 47.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.28 109.949 -179.605 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.99 -41.3 96.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.907 . . . . 0.31 109.594 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.24 -35.03 74.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.328 -0.858 . . . . 1.91 109.525 179.779 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.12 -46.63 80.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.288 -0.883 . . . . 0.43 109.434 -179.87 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.16 -41.0 95.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.327 -0.858 . . . . 1.57 108.915 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -31.09 67.27 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.687 -0.633 . . . . 1.44 109.576 179.7 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.91 81.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.64 109.587 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.31 -9.77 59.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.21 109.396 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.84 -50.77 21.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 1.22 109.401 179.749 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 13.76 52.76 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.852 -1.299 . . . . 1.5 109.852 -179.786 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.19 124.43 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.104 -1.233 . . . . 4.18 109.307 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.69 111.52 1.91 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.39 -0.818 . . . . 5.67 109.634 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.97 153.44 63.85 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.039 1.826 . . . . 5.65 110.301 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.461 -1.455 . . . . 7.27 109.461 179.939 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.268 0.556 . . . . 7.33 109.51 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.627 ' C ' ' HD2' ' A' ' 322' ' ' PRO . 30.2 tttm 62.99 133.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.229 -0.919 . . . . 7.21 109.566 179.885 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.66 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 99.18 -59.15 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.4 0 CA-C-O 118.671 -0.681 . . . . 6.47 111.97 -179.769 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 321' ' ' LYS . 3.0 Cg_exo -63.95 116.42 3.69 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 120.684 0.922 . . . . 4.53 110.217 -179.466 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 323' ' ' LEU . 40.1 mt -81.11 125.86 30.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 4.35 109.355 179.926 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.95 -162.51 0.44 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 2.48 109.363 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 163.16 48.83 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.431 -1.468 . . . . 0.98 109.431 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.23 141.75 49.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -1.155 . . . . 1.7 109.454 -179.961 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.1 156.85 16.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.61 109.374 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.1 m-85 -139.0 -169.77 2.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.58 109.514 -179.934 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.8 p -153.94 157.02 38.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.173 -0.954 . . . . 0.42 109.403 -179.778 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.16 134.09 18.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.36 109.409 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -86.38 132.28 34.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.37 109.583 -179.978 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 341' ' ' PHE . 33.8 mt -123.82 117.37 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.47 109.46 179.728 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.4 147.46 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.893 . . . . 2.1 109.673 179.984 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.32 138.81 8.05 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.814 -1.314 . . . . 0.42 109.814 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.0 ttt180 -81.36 -52.45 7.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -1.095 . . . . 2.68 109.482 179.903 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.62 85.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 2.22 109.482 179.908 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.323 -0.861 . . . . 2.77 109.478 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 332' ' ' ILE . 46.2 t80 -55.02 -56.46 19.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.887 . . . . 0.43 109.495 179.94 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.51 -33.43 31.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.66 109.713 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.439 ' CG ' ' SD ' ' D' ' 340' ' ' MET . 10.2 ttp -63.3 -50.84 68.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.184 -0.947 . . . . 0.44 110.036 -179.614 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.2 m-85 -60.87 -53.99 50.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.29 109.225 -179.853 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.93 -34.69 29.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 2.44 109.616 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.24 -51.37 69.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.181 -0.949 . . . . 1.74 109.741 -179.799 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 70.9 mt -60.88 -34.06 74.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.2 -0.938 . . . . 0.3 109.057 179.933 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.46 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.3 t-20 -59.5 -52.99 63.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.405 -0.809 . . . . 1.22 109.702 179.718 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.67 -34.44 77.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 1.72 110.027 -179.579 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -51.76 68.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.27 110.073 -179.471 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.23 -42.13 98.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.865 . . . . 0.29 109.755 -179.577 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.48 78.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.91 109.731 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 16.3 tp -64.55 -42.7 95.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.885 . . . . 0.41 109.694 -179.794 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.17 -42.88 99.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.35 -0.844 . . . . 1.56 109.242 -179.944 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.36 -40.08 73.95 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.485 -0.759 . . . . 1.43 109.83 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.39 81.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.66 109.667 -179.701 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -81.19 -0.98 42.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.276 -0.89 . . . . 1.18 109.762 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.71 -86.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 1.23 109.38 -179.943 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.42 96.54 1.75 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.61 -1.396 . . . . 1.54 109.61 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.98 137.89 31.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.372 -1.075 . . . . 4.18 109.486 179.824 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -48.66 108.24 0.91 Allowed Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.227 -0.921 . . . . 5.71 109.325 179.899 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.58 123.78 14.06 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 121.941 1.761 . . . . 5.61 110.357 -179.834 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.497 -1.441 . . . . 7.24 109.497 179.928 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.438 -0.578 . . . . 7.34 109.438 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.648 ' C ' ' HD2' ' B' ' 322' ' ' PRO . 30.3 tttm 62.81 133.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 7.17 109.7 -180.0 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.659 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 99.12 -59.09 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.311 0 CA-C-O 118.643 -0.694 . . . . 6.44 112.007 -179.731 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' B' ' 321' ' ' LYS . 3.0 Cg_exo -63.96 116.28 3.61 Favored 'Trans proline' 0 C--N 1.32 -0.934 0 C-N-CA 120.724 0.949 . . . . 4.54 110.297 -179.568 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 323' ' ' LEU . 40.3 mt -80.97 125.74 30.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.284 -0.885 . . . . 4.32 109.382 179.941 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.95 -162.69 0.46 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.929 . . . . 2.47 109.308 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.01 163.13 48.14 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.459 -1.456 . . . . 0.95 109.459 -179.961 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.23 141.85 49.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.201 -1.176 . . . . 1.61 109.386 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 12.6 m-85 -93.08 156.83 16.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.57 109.389 179.884 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 68.6 m-85 -138.96 -169.69 2.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.53 109.565 -179.956 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.494 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 68.2 p -154.09 156.85 38.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.175 -0.953 . . . . 0.38 109.593 -179.836 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.08 134.12 18.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.36 109.427 -179.746 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -86.49 132.4 33.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 1.36 109.465 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.587 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.8 mt -123.92 117.44 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.49 109.384 179.787 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.57 147.45 43.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 2.1 109.624 -179.953 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.35 138.87 8.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.858 -1.297 . . . . 0.44 109.858 179.769 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 37.9 ttt180 -81.51 -52.41 7.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -1.119 . . . . 2.72 109.44 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -46.69 85.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.354 -0.841 . . . . 2.21 109.425 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 3.1 ttm180 -60.46 -40.99 93.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 2.79 109.439 -179.969 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 332' ' ' ILE . 46.3 t80 -54.94 -56.48 19.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.323 -0.861 . . . . 0.45 109.489 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.58 -33.34 32.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.33 -0.856 . . . . 1.68 109.671 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -63.34 -50.78 68.64 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.249 -0.907 . . . . 0.43 110.001 -179.569 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.2 m-85 -60.91 -53.97 50.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.214 -0.929 . . . . 0.28 109.237 -179.805 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.92 -34.75 29.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.384 -0.822 . . . . 2.52 109.595 179.862 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.3 -51.29 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 1.75 109.702 -179.725 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 71.5 mt -60.93 -34.02 74.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.198 -0.939 . . . . 0.31 109.046 179.872 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.511 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.3 t-20 -59.44 -53.22 60.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.391 -0.818 . . . . 1.21 109.633 179.663 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.64 -34.39 76.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 1.69 110.031 -179.444 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -51.75 68.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 0.27 110.095 -179.557 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.22 -42.08 97.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.3 109.772 -179.607 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.44 78.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.289 -0.882 . . . . 1.93 109.738 -179.91 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.77 95.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 0.4 109.634 -179.813 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.9 ttmt -62.08 -42.97 99.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.387 -0.821 . . . . 1.59 109.274 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.4 -39.97 73.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.561 -0.712 . . . . 1.43 109.881 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.37 81.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.65 109.659 -179.775 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.19 -1.01 42.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.917 . . . . 1.19 109.796 -179.834 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -86.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 1.22 109.522 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.47 96.49 1.75 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.532 -1.427 . . . . 1.53 109.532 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.97 137.89 31.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -1.179 . . . . 4.21 109.463 179.83 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -48.71 108.28 0.92 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.183 -0.948 . . . . 5.68 109.348 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.55 123.76 14.03 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.029 1.819 . . . . 5.57 110.35 -179.831 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.992 -1.449 . . . . 7.2 109.521 179.95 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.525 -0.546 . . . . 8.96 109.525 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.635 ' C ' ' HD2' ' C' ' 322' ' ' PRO . 30.3 tttm 62.98 133.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.304 -0.872 . . . . 8.15 109.556 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.649 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 99.16 -59.16 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.354 0 CA-C-O 118.698 -0.668 . . . . 7.15 112.025 -179.787 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' C' ' 321' ' ' LYS . 3.0 Cg_exo -63.87 116.38 3.65 Favored 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 120.671 0.914 . . . . 4.35 110.224 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' C' ' 323' ' ' LEU . 40.1 mt -81.1 125.84 30.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 4.63 109.37 179.835 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.84 -162.5 0.43 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.292 -0.88 . . . . 2.85 109.352 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 163.18 48.67 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.408 -1.477 . . . . 1.12 109.408 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 141.78 49.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.168 -1.196 . . . . 2.11 109.391 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 12.7 m-85 -93.06 156.93 16.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.64 109.394 179.886 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.8 m-85 -139.04 -169.81 2.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.231 -0.918 . . . . 0.49 109.565 -179.91 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.3 p -153.99 157.02 38.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.47 109.442 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.12 133.97 17.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.929 . . . . 0.42 109.351 -179.665 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -86.34 132.37 33.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.321 -0.862 . . . . 1.81 109.584 179.951 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.5 mt -123.87 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.42 109.351 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.61 147.52 43.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 2.35 109.58 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.42 138.84 8.11 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.816 -1.314 . . . . 0.41 109.816 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.0 ttt180 -81.46 -52.41 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.357 -1.084 . . . . 2.59 109.463 179.813 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -46.65 85.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -0.845 . . . . 2.54 109.444 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.64 -40.91 93.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -0.908 . . . . 3.39 109.451 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CD1' HD12 ' C' ' 332' ' ' ILE . 46.0 t80 -55.01 -56.37 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 0.47 109.46 -179.97 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -51.62 -33.42 33.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.922 . . . . 1.66 109.569 -179.902 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.35 -50.78 68.61 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.277 -0.889 . . . . 0.61 110.051 -179.554 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.586 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.3 m-85 -60.93 -53.91 51.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.284 -0.885 . . . . 0.33 109.253 -179.896 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -51.06 -34.68 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.403 -0.811 . . . . 3.28 109.61 179.957 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.21 -51.32 70.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.197 -0.94 . . . . 1.78 109.731 -179.758 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' D' ' 344' ' ' LEU . 70.8 mt -60.85 -34.06 74.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.241 -0.912 . . . . 0.38 109.13 179.818 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.43 -53.12 61.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 1.2 109.682 179.692 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.74 -34.3 76.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.405 -0.81 . . . . 2.12 110.006 -179.498 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.14 -51.8 68.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 0.26 110.014 -179.524 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.18 -42.16 98.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.4 109.76 -179.552 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.49 78.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 2.09 109.75 -179.972 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.54 -42.77 95.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.75 109.702 -179.843 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 12.9 ttmt -61.99 -43.06 99.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 2.19 109.27 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.38 -39.96 73.79 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.633 -0.667 . . . . 1.34 109.857 -179.979 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.44 81.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.72 109.711 -179.769 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.13 -0.96 42.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.8 109.754 -179.855 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.028 -1.045 . . . . 1.39 109.444 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.39 96.49 1.75 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.569 -1.413 . . . . 1.66 109.569 -179.951 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.93 137.84 31.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 4.45 109.492 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.64 108.18 0.9 Allowed Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.134 -0.979 . . . . 6.19 109.364 179.886 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.62 123.76 14.0 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.941 1.761 . . . . 5.58 110.321 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.479 -1.448 . . . . 6.9 109.479 179.919 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.46 -0.571 . . . . 7.36 109.46 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.636 ' C ' ' HD2' ' D' ' 322' ' ' PRO . 30.2 tttm 63.02 133.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.888 . . . . 7.15 109.629 179.91 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 99.25 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.303 0 CA-C-O 118.62 -0.705 . . . . 6.5 111.965 -179.791 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -63.97 116.39 3.67 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 C-N-CA 120.746 0.964 . . . . 4.5 110.208 -179.508 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.03 125.78 30.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 4.32 109.417 179.829 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.86 -162.5 0.44 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 2.46 109.47 179.876 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 163.13 48.7 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.428 -1.469 . . . . 0.97 109.428 -179.999 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 141.88 49.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -1.156 . . . . 1.67 109.411 -179.932 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.7 m-85 -93.07 156.92 16.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.61 109.338 179.972 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.6 m-85 -139.09 -169.85 2.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.25 -0.907 . . . . 0.56 109.574 -179.939 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 67.8 p -153.93 157.02 38.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.43 109.484 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.08 134.13 18.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.35 109.379 -179.729 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.1 tt0 -86.56 132.36 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.243 -0.911 . . . . 1.37 109.53 -179.953 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.0 mt -123.85 117.43 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.48 109.399 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.54 147.39 44.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 2.08 109.581 -179.946 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.36 138.72 8.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.72 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.0 ttt180 -81.37 -52.34 7.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -1.102 . . . . 2.64 109.461 179.945 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.36 -46.57 86.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.351 -0.843 . . . . 2.22 109.519 179.932 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.66 -40.85 93.58 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.277 -0.889 . . . . 2.74 109.431 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CD1' HD12 ' D' ' 332' ' ' ILE . 46.3 t80 -54.97 -56.48 19.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.352 -0.842 . . . . 0.43 109.454 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.65 -33.23 32.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.447 -0.783 . . . . 1.69 109.63 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.439 ' SD ' ' CG ' ' A' ' 340' ' ' MET . 10.1 ttp -63.3 -50.92 68.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.281 -0.887 . . . . 0.43 110.042 -179.619 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -60.86 -53.82 52.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.27 109.391 -179.871 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -51.05 -34.79 31.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 2.45 109.6 179.817 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.1 -51.46 69.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.139 -0.976 . . . . 1.75 109.814 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' C' ' 344' ' ' LEU . 70.4 mt -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.205 -0.934 . . . . 0.31 109.099 179.829 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' B' ' 330' ' ' LEU . 53.0 t30 -59.46 -53.16 61.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.379 -0.826 . . . . 1.22 109.656 179.774 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.63 -34.38 76.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.73 110.049 -179.532 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.1 -51.81 68.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.201 -0.937 . . . . 0.28 110.026 -179.54 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 41.4 mt -61.2 -42.06 97.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.31 109.764 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.52 78.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 1.91 109.721 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.55 -42.86 95.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.899 . . . . 0.43 109.604 -179.804 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 12.9 ttmt -61.98 -42.96 99.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.844 . . . . 1.57 109.316 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.32 -40.04 73.75 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.493 -0.755 . . . . 1.44 109.919 179.895 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.46 81.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.913 . . . . 0.64 109.716 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -81.16 -0.97 42.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 1.21 109.796 -179.823 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.082 -1.011 . . . . 1.22 109.512 179.934 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.34 96.46 1.74 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.71 -1.356 . . . . 1.5 109.71 179.855 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.99 137.83 31.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.173 -1.192 . . . . 4.18 109.418 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -48.71 108.2 0.9 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 5.67 109.396 179.926 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.54 123.82 14.16 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.915 1.744 . . . . 5.65 110.359 -179.793 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.46 -1.456 . . . . 7.27 109.46 179.966 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.481 -0.563 . . . . 7.33 109.481 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.96 -155.2 0.34 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 7.21 109.493 -179.981 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.2 70.92 0.69 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 6.47 109.656 -179.876 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.12 -159.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.215 1.943 . . . . 4.53 110.224 179.842 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.19 123.09 27.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 4.35 109.232 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.38 104.51 10.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.227 -0.921 . . . . 2.48 109.995 -179.482 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.58 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.98 169.21 49.22 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.173 -1.571 . . . . 0.98 109.173 179.217 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.36 123.44 17.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.057 -1.26 . . . . 1.7 109.469 179.778 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 32.6 m-85 -94.62 155.13 17.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.158 -0.964 . . . . 0.61 109.698 -179.913 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -140.2 -176.84 4.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.58 109.29 179.805 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.491 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.4 p -152.44 156.25 39.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.171 -0.955 . . . . 0.42 109.531 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' C' ' 345' ' ' ASN . 15.0 tp -147.45 130.99 16.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.36 109.517 -179.759 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.3 tt0 -86.43 131.41 34.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.298 -0.876 . . . . 1.37 109.508 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.658 HD12 ' CD1' ' A' ' 338' ' ' PHE . 31.9 mt -123.86 118.94 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.47 109.592 179.849 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.487 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.32 43.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 2.1 109.48 -179.993 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.78 131.12 3.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.739 -1.344 . . . . 0.42 109.739 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.5 ttt180 -76.85 -51.7 10.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -1.17 . . . . 2.68 109.589 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 16.9 pt-20 -58.7 -41.76 87.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 2.22 109.444 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.836 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.4 tpp180 -63.13 -43.86 97.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.2 -0.938 . . . . 2.77 109.141 179.69 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.0 t80 -55.27 -46.82 76.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.432 -0.793 . . . . 0.43 109.599 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.98 -39.52 59.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.889 . . . . 1.66 109.963 -179.617 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.57 -46.1 89.87 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.207 -0.933 . . . . 0.44 110.162 -179.259 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.454 ' HD2' HG21 ' A' ' 332' ' ' ILE . 20.5 m-85 -61.24 -49.82 75.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.111 -0.993 . . . . 0.29 109.419 -179.657 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -51.5 -43.02 62.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.309 -0.87 . . . . 2.44 109.718 179.858 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.97 -41.58 92.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.178 -0.951 . . . . 1.74 109.898 -179.631 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' B' ' 344' ' ' LEU . 35.0 mt -62.47 -46.36 88.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.3 109.635 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.478 ' HB2' HD21 ' C' ' 330' ' ' LEU . 50.5 t30 -58.33 -43.64 88.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.22 109.777 179.964 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.86 -39.5 92.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 1.72 109.717 -179.758 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.16 -45.66 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.317 -0.865 . . . . 0.27 109.728 -179.837 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.898 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.6 mt -62.2 -44.19 97.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 0.29 109.685 -179.834 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.77 -37.7 76.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.317 -0.865 . . . . 1.91 109.446 -179.894 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.933 HD11 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -63.49 -40.49 97.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.41 109.342 -179.956 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.482 ' HA ' HD22 ' B' ' 350' ' ' LEU . 8.7 ttmm -62.53 -51.19 68.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.394 -0.816 . . . . 1.56 109.089 179.845 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.29 -30.15 64.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.564 -0.71 . . . . 1.43 109.755 179.839 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.61 80.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.888 . . . . 0.66 109.976 -179.51 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.886 ' NE2' HD11 ' B' ' 350' ' ' LEU . 1.1 mt-30 -83.6 -15.5 48.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 1.18 109.624 -179.694 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.96 -12.35 60.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.17 -0.956 . . . . 1.23 109.459 179.721 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.64 9.28 68.71 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.058 -1.217 . . . . 1.54 110.058 -179.737 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.46 97.27 10.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.216 -1.167 . . . . 4.18 109.692 -179.676 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.476 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 1.5 mt-10 -52.01 171.2 0.2 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 5.71 109.596 179.712 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 3.1 Cg_exo -61.57 131.09 34.17 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.148 1.899 . . . . 5.61 110.12 179.919 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.97 -1.461 . . . . 7.24 109.59 179.986 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.429 -0.582 . . . . 7.34 109.429 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.97 -155.09 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.258 -0.901 . . . . 7.17 109.506 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.15 70.86 0.7 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.289 -0.882 . . . . 6.44 109.635 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.96 -159.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.287 1.991 . . . . 4.54 110.239 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.17 122.96 27.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.2 -0.938 . . . . 4.32 109.205 179.776 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.26 104.97 11.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.25 -0.906 . . . . 2.47 110.037 -179.648 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.81 169.36 50.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.027 -1.629 . . . . 0.95 109.027 179.417 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.32 123.37 17.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.077 -1.249 . . . . 1.61 109.402 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 32.6 m-85 -94.44 155.11 17.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.57 109.785 179.957 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.84 4.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.53 109.323 179.775 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.0 p -152.41 156.18 39.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.099 -1.001 . . . . 0.38 109.6 -179.671 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.9 tp -147.37 130.86 16.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.36 109.592 -179.73 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.3 tt0 -86.44 131.35 34.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.36 109.522 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.646 HD12 ' CD1' ' B' ' 338' ' ' PHE . 32.8 mt -123.84 118.99 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.49 109.507 179.898 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.9 OUTLIER -73.48 148.35 43.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.282 -0.886 . . . . 2.1 109.555 179.909 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 131.33 3.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.728 -1.349 . . . . 0.44 109.728 179.816 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 61.6 ttt180 -77.05 -51.61 10.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -1.132 . . . . 2.72 109.637 179.929 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 16.9 pt-20 -58.64 -41.76 86.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 2.21 109.49 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.83 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.4 tpp180 -63.15 -43.92 96.98 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.242 -0.911 . . . . 2.79 109.105 179.699 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.646 ' CD1' HD12 ' B' ' 332' ' ' ILE . 75.9 t80 -55.23 -46.97 75.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.468 -0.77 . . . . 0.45 109.547 179.938 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.91 -39.55 59.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 1.68 110.028 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.55 -46.06 90.09 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.078 -1.014 . . . . 0.43 110.259 -179.299 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.453 ' HD2' HG21 ' B' ' 332' ' ' ILE . 20.2 m-85 -61.09 -49.98 75.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.043 -1.035 . . . . 0.28 109.404 -179.767 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.43 -43.09 61.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.384 -0.823 . . . . 2.52 109.683 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.91 -41.58 92.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.955 . . . . 1.75 109.955 -179.646 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 344' ' ' LEU . 35.2 mt -62.35 -46.53 88.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.31 109.657 -179.882 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 50.6 t30 -58.22 -43.86 87.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 1.21 109.694 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.65 -39.56 91.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.69 109.792 -179.711 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.2 -45.54 90.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.37 -0.831 . . . . 0.27 109.733 -179.785 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.842 HD22 ' NH1' ' D' ' 337' ' ' ARG . 54.2 mt -62.32 -44.18 97.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.255 -0.903 . . . . 0.3 109.599 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.76 -37.67 76.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.93 109.535 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.886 HD11 ' NE2' ' A' ' 354' ' ' GLN . 12.6 tp -63.52 -40.41 96.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.379 -0.826 . . . . 0.4 109.434 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' A' ' 350' ' ' LEU . 8.8 ttmm -62.51 -51.27 68.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 1.59 109.141 179.741 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.19 64.35 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.567 -0.708 . . . . 1.43 109.71 179.844 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.57 80.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.65 109.994 -179.481 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.933 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.1 mt-30 -83.58 -15.32 49.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.19 109.765 -179.786 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.22 -12.09 60.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 1.22 109.46 179.734 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.8 9.39 68.84 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.086 -1.206 . . . . 1.53 110.086 -179.839 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.57 97.27 10.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.169 -1.195 . . . . 4.21 109.703 -179.671 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.475 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 1.5 mt-10 -52.04 171.13 0.2 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 5.68 109.566 179.792 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -61.48 130.97 33.79 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.065 1.843 . . . . 5.57 110.247 179.835 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.954 -1.47 . . . . 7.2 109.552 179.983 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.448 -0.575 . . . . 8.96 109.448 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.06 -155.24 0.33 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 8.15 109.521 -179.93 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.25 70.81 0.7 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.194 -0.941 . . . . 7.15 109.643 -179.99 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.92 -158.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.174 1.916 . . . . 4.35 110.321 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.19 123.05 27.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.211 -0.93 . . . . 4.63 109.122 179.836 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.52 104.87 11.35 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 2.85 109.995 -179.578 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.579 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.37 169.37 49.75 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.083 -1.607 . . . . 1.12 109.083 179.376 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.38 123.34 17.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.12 -1.224 . . . . 2.11 109.483 179.79 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 32.7 m-85 -94.56 155.21 17.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.913 . . . . 0.64 109.671 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.86 4.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.49 109.289 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 62.9 p -152.47 156.23 39.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.12 -0.988 . . . . 0.47 109.592 -179.753 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.9 tp -147.39 131.0 16.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.311 -0.868 . . . . 0.42 109.553 -179.731 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 42.4 tt0 -86.5 131.37 34.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.81 109.499 179.985 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' C' ' 338' ' ' PHE . 32.0 mt -123.76 119.08 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 0.42 109.534 179.78 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.481 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.33 43.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.35 109.499 179.822 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.68 131.46 3.94 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.671 -1.371 . . . . 0.41 109.671 179.765 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 61.6 ttt180 -77.08 -51.7 10.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.289 -1.124 . . . . 2.59 109.643 179.97 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 16.9 pt-20 -58.63 -41.69 86.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.929 . . . . 2.54 109.513 179.948 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.898 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.4 tpp180 -63.2 -43.86 96.96 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.317 -0.865 . . . . 3.39 109.13 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.9 t80 -55.38 -46.74 76.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.432 -0.792 . . . . 0.47 109.574 179.933 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.01 -39.5 59.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.835 . . . . 1.66 110.036 -179.687 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.62 -46.02 90.19 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.134 -0.979 . . . . 0.61 110.249 -179.321 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.455 ' CD2' HD13 ' C' ' 332' ' ' ILE . 20.3 m-85 -61.19 -49.91 75.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.33 109.441 -179.793 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.49 -43.03 62.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 3.28 109.698 179.897 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.85 -41.69 91.99 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -0.946 . . . . 1.78 109.861 -179.705 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' D' ' 344' ' ' LEU . 35.2 mt -62.47 -46.37 88.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.929 . . . . 0.38 109.643 -179.736 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' A' ' 330' ' ' LEU . 50.8 t30 -58.38 -43.77 88.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 1.2 109.737 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.64 -39.56 91.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 2.12 109.751 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.15 -45.74 90.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.865 . . . . 0.26 109.668 -179.803 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.1 mt -62.15 -44.16 97.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.4 109.674 -179.805 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.9 -37.55 76.88 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 2.09 109.552 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.712 HD11 ' OE1' ' D' ' 354' ' ' GLN . 12.7 tp -63.55 -40.39 96.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.75 109.39 179.961 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.62 -51.17 68.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.456 -0.777 . . . . 2.19 109.089 179.799 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.21 64.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.5 -0.75 . . . . 1.34 109.746 179.767 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.59 80.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.384 -0.823 . . . . 0.72 109.956 -179.399 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' D' ' 350' ' ' LEU . 1.2 mt-30 -83.59 -15.36 49.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.117 -0.989 . . . . 1.8 109.677 -179.715 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.05 -12.34 60.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 1.39 109.425 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 9.45 68.67 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.044 -1.223 . . . . 1.66 110.044 -179.693 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -86.56 97.28 10.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.057 -1.261 . . . . 4.45 109.752 -179.768 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.483 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 1.5 mt-10 -52.06 171.16 0.2 Allowed Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.319 -0.863 . . . . 6.19 109.523 179.816 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 3.0 Cg_exo -61.43 130.98 33.91 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.204 1.936 . . . . 5.58 110.182 179.877 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.893 -1.504 . . . . 6.9 109.574 179.97 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.422 -0.585 . . . . 7.36 109.422 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.04 -155.24 0.33 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.932 . . . . 7.15 109.512 179.921 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.25 70.89 0.69 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 6.5 109.641 -179.946 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -159.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.35 2.033 . . . . 4.5 110.252 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.29 123.08 27.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.181 -0.95 . . . . 4.32 109.191 179.846 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.36 104.72 11.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.368 -0.833 . . . . 2.46 109.962 -179.48 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.35 169.29 49.81 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.044 -1.622 . . . . 0.97 109.044 179.347 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 123.35 17.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.111 -1.229 . . . . 1.67 109.4 179.821 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 32.3 m-85 -94.54 155.19 17.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.117 -0.99 . . . . 0.61 109.699 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.6 m-85 -140.36 -176.9 4.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.56 109.295 179.842 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.0 p -152.35 156.28 39.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 0.43 109.571 -179.717 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.9 tp -147.37 130.97 16.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.35 109.524 -179.733 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 42.4 tt0 -86.53 131.38 34.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.37 109.463 179.997 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' D' ' 338' ' ' PHE . 32.4 mt -123.84 119.02 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.48 109.461 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.9 OUTLIER -73.52 148.38 43.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 2.08 109.575 179.815 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.7 131.55 3.98 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 61.8 ttt180 -77.19 -51.75 10.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.348 -1.089 . . . . 2.64 109.603 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 16.9 pt-20 -58.62 -41.79 86.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 2.22 109.457 179.972 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.842 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.4 tpp180 -63.19 -43.83 97.08 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 2.74 109.136 179.747 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.1 t80 -55.24 -46.87 76.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.43 109.626 179.882 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.9 -39.61 59.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.368 -0.833 . . . . 1.69 110.06 -179.722 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.43 110.313 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CD2' HD13 ' D' ' 332' ' ' ILE . 20.3 m-85 -61.18 -49.88 75.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.27 109.362 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.53 -43.05 62.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.356 -0.84 . . . . 2.45 109.702 179.95 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.9 -41.66 92.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 1.75 109.882 -179.662 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' C' ' 344' ' ' LEU . 35.1 mt -62.27 -46.59 88.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.31 109.63 -179.839 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 50.6 t30 -58.34 -43.7 88.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.852 . . . . 1.22 109.715 -179.87 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.77 -39.47 91.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 1.73 109.738 -179.765 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.2 -45.51 90.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 0.28 109.775 -179.835 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.83 HD22 ' NH1' ' B' ' 337' ' ' ARG . 54.3 mt -62.37 -44.15 97.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.31 109.627 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.84 -37.65 76.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.91 109.468 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' C' ' 354' ' ' GLN . 12.6 tp -63.51 -40.31 96.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.43 109.443 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.62 -51.2 68.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 1.57 109.095 179.769 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.25 -30.12 64.38 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.625 -0.672 . . . . 1.44 109.814 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.49 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.64 109.945 -179.454 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.712 ' OE1' HD11 ' C' ' 350' ' ' LEU . 1.2 mt-30 -83.62 -15.49 48.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.091 -1.006 . . . . 1.21 109.628 -179.733 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.03 -12.29 60.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.22 109.472 179.779 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 9.36 68.74 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.992 -1.243 . . . . 1.5 109.992 -179.708 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.61 97.42 10.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 4.18 109.665 -179.665 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.48 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 1.5 mt-10 -52.19 171.22 0.21 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.317 -0.864 . . . . 5.67 109.542 179.797 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 3.0 Cg_endo -61.45 131.01 33.99 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.114 1.876 . . . . 5.65 110.144 179.894 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 118.004 -1.442 . . . . 7.27 109.537 179.923 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.429 -0.582 . . . . 7.33 109.429 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.46 51.03 6.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 7.21 109.483 179.869 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 56.84 68.49 2.11 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.171 -0.955 . . . . 6.47 109.475 179.878 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.1 Cg_endo -66.97 -4.55 11.62 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.145 1.896 . . . . 4.53 110.758 -179.928 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 45.3 mt -82.86 97.01 8.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.961 -1.087 . . . . 4.35 109.573 179.861 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.423 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 2.5 m-20 -82.25 -169.65 2.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 2.48 109.396 179.684 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.85 171.6 38.11 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.398 -1.481 . . . . 0.98 109.398 179.953 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.51 131.68 51.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -1.192 . . . . 1.7 109.516 -179.896 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 9.8 m-85 -94.78 155.37 16.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.974 . . . . 0.61 109.673 179.975 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.2 m-85 -139.68 -169.36 2.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.58 109.325 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' C' ' 338' ' ' PHE . 11.9 p -153.34 162.94 40.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.42 109.693 -179.777 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.2 tp -149.39 133.56 17.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.294 -0.879 . . . . 0.36 109.479 -179.782 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.71 34.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.306 -0.871 . . . . 1.37 109.198 179.746 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.89 114.36 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.914 . . . . 0.47 109.613 -179.787 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.53 150.8 41.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 2.1 109.295 179.789 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.02 130.01 4.53 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.692 -1.363 . . . . 0.42 109.692 179.751 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.5 OUTLIER -78.12 -52.78 8.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -1.089 . . . . 2.68 109.526 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.19 -48.29 80.78 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 2.22 109.426 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.85 -40.21 92.0 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.362 -0.836 . . . . 2.77 109.314 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.466 ' CZ ' ' O ' ' C' ' 329' ' ' THR . 35.7 t80 -54.97 -55.36 31.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.47 -0.769 . . . . 0.43 109.554 -179.933 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.21 39.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.317 -0.864 . . . . 1.66 109.946 -179.885 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.42 -47.8 82.5 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.068 -1.02 . . . . 0.44 109.772 -179.648 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.42 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 20.3 m-85 -61.48 -47.29 86.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.918 . . . . 0.29 108.998 179.867 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -51.9 -39.95 59.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 2.44 109.684 179.823 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.8 -49.56 77.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.237 -0.915 . . . . 1.74 109.718 -179.64 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.86 -33.36 72.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.104 -0.998 . . . . 0.3 108.951 179.691 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.48 -55.21 37.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 1.22 109.434 179.64 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.72 -29.09 70.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.789 . . . . 1.72 109.792 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.32 -56.84 16.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.917 . . . . 0.27 109.806 -179.661 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.421 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 22.2 mt -60.79 -38.14 84.31 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.302 -0.874 . . . . 0.29 109.434 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.05 -37.23 76.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.91 109.402 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.517 HD21 ' OE1' ' B' ' 354' ' ' GLN . 11.9 tp -64.48 -40.56 95.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 0.41 109.309 179.941 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -49.38 76.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.426 -0.796 . . . . 1.56 108.907 179.77 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.68 -29.8 62.74 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.619 -0.676 . . . . 1.43 109.462 179.584 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.41 83.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.865 . . . . 0.66 109.734 -179.687 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.501 ' OE1' HD11 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -83.09 -13.67 55.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.18 109.431 179.924 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.36 -21.56 60.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.23 109.093 179.567 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.93 20.23 21.3 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.974 -1.251 . . . . 1.54 109.974 179.867 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 39.99 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.117 -1.225 . . . . 4.18 109.71 -179.831 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.488 ' CG ' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -51.03 171.48 0.17 Allowed Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.9 . . . . 5.71 109.443 179.925 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 358' ' ' GLU . 3.2 Cg_exo -61.45 141.41 91.99 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.095 1.864 . . . . 5.61 110.154 179.963 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.953 -1.47 . . . . 7.24 109.539 179.895 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.471 -0.566 . . . . 7.34 109.471 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.38 50.95 7.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.914 . . . . 7.17 109.571 179.925 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 56.96 68.46 2.09 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.132 -0.98 . . . . 6.44 109.493 179.885 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -66.9 -4.56 11.55 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.068 1.846 . . . . 4.54 110.79 -179.969 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 44.7 mt -82.97 97.04 8.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.973 -1.079 . . . . 4.32 109.486 179.995 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.43 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 2.5 m-20 -82.24 -169.85 2.62 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.328 -0.857 . . . . 2.47 109.456 179.649 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.66 171.49 37.63 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.478 -1.449 . . . . 0.95 109.478 179.882 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.44 131.7 51.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -1.185 . . . . 1.61 109.478 -179.929 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 9.8 m-85 -94.79 155.45 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.57 109.682 179.982 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.4 m-85 -139.75 -169.38 2.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.327 -0.858 . . . . 0.53 109.286 179.864 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CZ ' ' D' ' 338' ' ' PHE . 12.0 p -153.28 163.05 40.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.38 109.648 -179.745 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.54 133.47 17.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.919 . . . . 0.36 109.498 -179.896 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.66 127.74 34.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 1.36 109.16 179.846 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 114.39 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -0.969 . . . . 0.49 109.718 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.43 150.74 41.48 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 2.1 109.423 179.719 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.13 129.93 4.55 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.777 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -78.08 -52.79 8.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -1.054 . . . . 2.72 109.46 179.949 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.16 -48.46 80.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 2.21 109.388 179.912 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -60.72 -40.23 91.57 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.262 -0.899 . . . . 2.79 109.359 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' D' ' 329' ' ' THR . 35.4 t80 -54.88 -55.42 30.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 0.45 109.581 -179.972 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -51.84 -34.2 39.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 1.68 109.842 -179.864 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.41 -47.82 82.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.16 -0.962 . . . . 0.43 109.737 -179.587 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 20.4 m-85 -61.48 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.28 109.152 179.832 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -52.07 -39.89 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 2.52 109.687 179.812 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.67 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -0.916 . . . . 1.75 109.696 -179.725 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.75 -33.49 73.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.022 . . . . 0.31 108.974 179.769 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.31 -55.33 36.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.483 -0.761 . . . . 1.21 109.425 179.643 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.17 70.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.358 -0.839 . . . . 1.69 109.8 -179.854 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.21 -56.83 16.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.27 109.888 -179.724 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 22.2 mt -60.81 -38.1 84.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.853 . . . . 0.3 109.342 -179.827 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.09 -37.28 76.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 1.93 109.36 179.817 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 354' ' ' GLN . 11.9 tp -64.49 -40.5 95.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 0.4 109.351 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.45 76.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.79 . . . . 1.59 108.935 179.708 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.63 -29.79 62.58 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.592 -0.692 . . . . 1.43 109.49 179.544 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.5 83.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.65 109.621 -179.634 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 350' ' ' LEU . 0.4 OUTLIER -83.04 -13.58 55.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.12 -0.988 . . . . 1.19 109.475 179.937 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.4 -21.61 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.199 -0.938 . . . . 1.22 109.104 179.549 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.86 20.2 21.2 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.926 -1.27 . . . . 1.53 109.926 179.924 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 39.89 0.86 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.024 -1.28 . . . . 4.21 109.783 -179.813 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.481 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 0.0 OUTLIER -50.96 171.43 0.16 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 5.68 109.523 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -61.34 141.41 92.53 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.152 1.901 . . . . 5.57 110.209 179.9 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.013 -1.437 . . . . 7.2 109.57 -179.999 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.404 -0.591 . . . . 8.96 109.404 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.44 50.99 6.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.206 -0.934 . . . . 8.15 109.58 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 56.88 68.41 2.14 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 7.15 109.544 179.931 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.1 Cg_endo -67.01 -4.3 11.22 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.088 1.859 . . . . 4.35 110.802 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 45.1 mt -83.02 96.99 8.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 4.63 109.568 179.82 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.422 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 2.5 m-20 -82.18 -169.79 2.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.445 -0.785 . . . . 2.85 109.394 179.7 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.73 171.29 38.28 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.446 -1.461 . . . . 1.12 109.446 179.865 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.22 131.77 52.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -1.203 . . . . 2.11 109.516 -179.985 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 9.8 m-85 -94.91 155.42 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.077 -1.015 . . . . 0.64 109.737 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -139.64 -169.33 2.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.322 -0.861 . . . . 0.49 109.392 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.466 ' O ' ' CZ ' ' A' ' 338' ' ' PHE . 11.7 p -153.35 163.3 40.17 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.47 109.599 -179.893 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.67 133.51 16.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.42 109.447 -179.811 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.7 34.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.81 109.179 179.841 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.78 114.44 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.42 109.707 -179.877 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 150.83 41.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.35 109.384 179.754 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.97 129.31 4.28 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.807 -1.317 . . . . 0.41 109.807 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -77.25 -52.94 8.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -1.118 . . . . 2.59 109.632 179.911 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.18 -48.42 80.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 2.54 109.41 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.76 -40.08 91.17 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.297 -0.877 . . . . 3.39 109.418 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -54.9 -55.5 29.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -0.825 . . . . 0.47 109.523 179.979 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -51.77 -34.28 38.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.326 -0.859 . . . . 1.66 109.922 -179.848 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.33 -47.9 82.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.61 109.683 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -61.52 -47.17 86.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.33 109.063 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -51.96 -39.89 60.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.503 -0.748 . . . . 3.28 109.779 179.768 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.68 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 1.78 109.657 -179.672 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.89 -33.39 73.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.38 108.888 179.859 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.32 -55.38 35.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 1.2 109.396 179.665 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.08 70.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 2.12 109.772 -179.824 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.24 -56.9 15.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 0.26 109.869 -179.74 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.42 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 22.2 mt -60.78 -38.07 84.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.4 109.378 -179.843 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.18 -37.18 76.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.292 -0.88 . . . . 2.09 109.398 179.821 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.499 HD11 ' OE1' ' D' ' 354' ' ' GLN . 11.9 tp -64.42 -40.56 95.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.75 109.355 179.878 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -49.5 76.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.3 -0.875 . . . . 2.19 108.94 179.723 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.55 -29.86 62.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.567 -0.708 . . . . 1.34 109.523 179.537 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.45 83.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.328 -0.857 . . . . 0.72 109.662 -179.627 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.561 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.4 OUTLIER -83.03 -13.76 55.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.108 -0.995 . . . . 1.8 109.362 179.973 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.33 -21.6 60.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.217 -0.927 . . . . 1.39 109.168 179.538 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.92 20.18 21.59 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.866 -1.294 . . . . 1.66 109.866 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 39.87 0.86 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.041 -1.27 . . . . 4.45 109.804 -179.86 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' C' ' 359' ' ' PRO . 0.0 OUTLIER -51.0 171.4 0.17 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.162 -0.961 . . . . 6.19 109.438 179.986 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.35 141.31 92.2 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.139 1.893 . . . . 5.58 110.253 179.903 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 118.025 -1.431 . . . . 6.9 109.577 179.981 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.391 -0.596 . . . . 7.36 109.391 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.57 50.95 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.256 -0.903 . . . . 7.15 109.525 179.882 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 56.83 68.39 2.16 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.231 -0.918 . . . . 6.5 109.506 179.913 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.1 Cg_endo -66.93 -4.34 11.2 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.1 1.867 . . . . 4.5 110.84 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.0 96.9 8.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.064 -1.023 . . . . 4.32 109.587 179.858 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 2.5 m-20 -82.12 -169.72 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 2.46 109.378 179.731 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.82 171.4 38.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.436 -1.465 . . . . 0.97 109.436 179.9 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.27 131.74 51.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -1.136 . . . . 1.67 109.437 -179.901 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 9.7 m-85 -95.0 155.49 16.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.61 109.664 179.938 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.8 m-85 -139.77 -169.39 2.7 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.368 -0.832 . . . . 0.56 109.248 -179.976 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' B' ' 338' ' ' PHE . 11.9 p -153.34 162.91 40.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.43 109.664 -179.717 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.41 133.63 17.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.35 109.429 -179.804 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.8 127.84 34.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 1.37 109.132 179.807 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.92 114.28 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.48 109.666 -179.828 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.46 150.68 41.47 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 2.08 109.395 179.739 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.11 129.71 4.47 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.773 -1.331 . . . . 0.4 109.773 179.782 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.58 ' CZ ' ' CB ' ' D' ' 335' ' ' ARG . 0.5 OUTLIER -77.69 -52.88 8.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -1.044 . . . . 2.64 109.537 179.887 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.34 -48.09 81.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 2.22 109.429 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.0 -40.04 92.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.353 -0.842 . . . . 2.74 109.365 179.959 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CZ ' ' O ' ' B' ' 329' ' ' THR . 35.8 t80 -54.99 -55.39 31.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.43 109.565 179.978 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.29 39.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.69 109.889 -179.88 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.4 -47.74 82.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.16 -0.963 . . . . 0.43 109.751 -179.598 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.437 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 20.1 m-85 -61.5 -47.27 86.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.27 109.026 179.908 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -51.98 -40.0 60.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.417 -0.802 . . . . 2.45 109.581 179.881 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.65 -49.59 76.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -0.852 . . . . 1.75 109.776 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.86 -33.4 73.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.167 -0.958 . . . . 0.31 108.926 179.771 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.33 -55.31 36.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.392 -0.818 . . . . 1.22 109.501 179.571 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.7 -29.09 70.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.423 -0.798 . . . . 1.73 109.786 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.2 -56.89 16.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 0.28 109.854 -179.714 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.414 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 22.1 mt -60.89 -38.07 84.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.31 109.396 -179.783 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.11 -37.21 76.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 1.91 109.376 179.76 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.561 HD21 ' OE1' ' C' ' 354' ' ' GLN . 11.9 tp -64.5 -40.5 95.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.242 -0.911 . . . . 0.43 109.325 179.972 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.53 76.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 1.57 108.861 179.693 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.67 -29.82 62.74 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.656 -0.652 . . . . 1.44 109.472 179.643 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.57 83.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.41 -0.806 . . . . 0.64 109.63 -179.695 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.499 ' OE1' HD11 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -83.03 -13.66 55.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 1.21 109.443 -179.992 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.48 -21.47 60.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.22 109.087 179.61 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.06 20.29 21.57 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 1.5 109.89 179.896 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 40.04 0.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -1.194 . . . . 4.18 109.756 -179.904 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.483 ' CG ' ' HD2' ' D' ' 359' ' ' PRO . 0.0 OUTLIER -51.07 171.5 0.17 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.175 -0.953 . . . . 5.67 109.435 179.93 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' D' ' 358' ' ' GLU . 3.0 Cg_exo -61.43 141.37 91.94 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.131 1.887 . . . . 5.65 110.243 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 CA-C-O 117.969 -1.462 . . . . 7.27 109.549 -179.982 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.492 -0.558 . . . . 7.33 109.492 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.09 24.79 14.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.23 -0.919 . . . . 7.21 109.536 179.961 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.31 81.43 0.26 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 6.47 109.436 179.96 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.44 80.81 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.356 2.037 . . . . 4.53 110.574 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.98 24.36 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.9 . . . . 4.35 109.713 179.629 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.41 -154.9 0.05 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.355 -0.841 . . . . 2.48 109.993 -179.301 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 153.48 52.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.002 -1.239 . . . . 0.98 110.002 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.62 147.11 38.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.44 -1.035 . . . . 1.7 109.535 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 50.7 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.297 -0.877 . . . . 0.61 109.396 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.7 m-85 -138.09 -168.31 2.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.58 109.55 -179.902 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.7 p -153.2 162.67 41.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.42 109.644 -179.794 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -150.08 133.07 16.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.287 -0.883 . . . . 0.36 109.362 -179.998 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.6 126.44 34.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.37 109.69 -179.803 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.0 mt -124.14 116.48 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.937 . . . . 0.47 109.333 179.709 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 2.1 ttt-85 -74.07 159.62 32.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 2.1 109.864 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.45 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 80.16 134.82 1.33 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.834 -1.306 . . . . 0.42 109.834 179.643 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 58.5 ttt180 -81.04 -49.02 11.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -1.101 . . . . 2.68 109.38 179.829 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.5 -51.09 71.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 2.22 109.441 179.936 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.07 85.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.351 -0.843 . . . . 2.77 109.299 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.3 t80 -55.3 -53.03 61.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.43 109.572 179.953 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.45 -34.45 35.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.821 . . . . 1.66 109.816 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.71 -50.51 70.85 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.211 -0.93 . . . . 0.44 109.898 -179.473 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -60.75 -54.65 42.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.29 109.241 -179.919 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.02 -34.41 29.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -0.797 . . . . 2.44 109.501 179.856 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.29 -49.07 79.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.159 -0.963 . . . . 1.74 109.474 -179.918 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.261 -0.899 . . . . 0.3 108.838 179.687 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' C' ' 330' ' ' LEU . 9.5 t-20 -59.21 -53.31 59.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 1.22 109.711 179.73 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.7 -32.9 74.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -0.852 . . . . 1.72 110.066 -179.506 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.56 -53.3 59.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 0.27 110.101 -179.643 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.89 -43.54 98.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.29 109.731 -179.511 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.46 -35.33 73.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 1.91 109.562 179.978 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.752 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -65.7 -40.85 92.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.298 -0.876 . . . . 0.41 109.429 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -62.19 -48.32 80.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.345 -0.847 . . . . 1.56 108.869 179.745 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.4 68.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.498 -0.751 . . . . 1.43 109.638 179.638 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.36 69.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.66 109.845 -179.74 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 357' ' ' LYS . 28.2 mt-30 -82.77 -10.06 59.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.189 -0.944 . . . . 1.18 109.529 -179.865 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.86 58.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 1.23 109.696 179.876 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.29 17.1 35.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.127 -1.189 . . . . 1.54 110.127 -179.672 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 354' ' ' GLN . 0.0 OUTLIER -85.26 141.85 29.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.013 -1.287 . . . . 4.18 109.6 -179.855 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.03 106.44 0.6 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.908 . . . . 5.71 109.489 179.974 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.9 Cg_endo -60.78 133.43 47.94 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.025 1.817 . . . . 5.61 110.255 -179.946 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.521 -1.432 . . . . 7.24 109.521 179.988 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.525 -0.546 . . . . 7.34 109.525 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.08 24.91 14.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.244 -0.91 . . . . 7.17 109.528 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.19 81.51 0.25 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 6.44 109.456 179.985 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.51 80.81 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.397 2.065 . . . . 4.54 110.602 -179.895 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.98 24.35 1.83 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 4.32 109.72 179.677 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.49 -155.03 0.06 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.383 -0.823 . . . . 2.47 109.983 -179.288 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.25 153.43 52.92 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.002 -1.239 . . . . 0.95 110.002 -179.505 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.59 147.18 38.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -1.049 . . . . 1.61 109.544 179.89 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' D' ' 333' ' ' ARG . 51.4 m-85 -94.49 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.894 . . . . 0.57 109.386 179.821 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.6 m-85 -138.13 -168.33 2.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.879 . . . . 0.53 109.504 -179.871 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 19.6 p -153.19 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.38 109.62 -179.786 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.7 tp -150.05 133.12 16.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.271 -0.893 . . . . 0.36 109.359 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.63 126.41 34.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.271 -0.893 . . . . 1.36 109.702 -179.833 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.7 mt -124.09 116.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.205 -0.934 . . . . 0.49 109.365 179.704 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.5 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 2.1 ttt-85 -74.04 159.59 32.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.177 -0.952 . . . . 2.1 109.87 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 80.21 134.8 1.34 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.871 -1.292 . . . . 0.44 109.871 179.664 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 58.5 ttt180 -81.03 -49.06 11.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -1.098 . . . . 2.72 109.348 179.82 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.56 -50.94 71.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.477 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.31 -39.04 85.57 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 2.79 109.281 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -55.35 -52.97 61.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.45 109.582 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.48 -34.46 35.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 1.68 109.795 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.68 -50.59 70.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.239 -0.913 . . . . 0.43 109.891 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -60.69 -54.66 42.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.28 109.241 -179.905 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.0 -34.43 29.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.414 -0.804 . . . . 2.52 109.514 179.84 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.3 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.75 109.472 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.16 -34.78 75.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.349 -0.845 . . . . 0.31 108.84 179.692 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' D' ' 330' ' ' LEU . 9.6 t-20 -59.28 -53.24 60.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.421 -0.8 . . . . 1.21 109.685 179.762 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.69 -33.04 74.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.801 . . . . 1.69 110.095 -179.557 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.5 -53.25 59.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.139 -0.976 . . . . 0.27 110.101 -179.627 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.83 -43.63 98.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.913 . . . . 0.3 109.703 -179.534 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.49 -35.23 73.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 1.93 109.572 -179.974 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.753 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.75 -40.97 92.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.4 109.343 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 34.6 ttmt -62.1 -48.27 80.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 1.59 108.923 179.764 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.47 68.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.534 -0.729 . . . . 1.43 109.615 179.628 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.35 69.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 0.65 109.867 -179.757 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.475 ' OE1' HD11 ' A' ' 350' ' ' LEU . 28.3 mt-30 -82.81 -10.03 59.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 1.19 109.473 -179.852 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -45.8 58.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 1.22 109.676 179.897 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 17.12 35.61 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.105 -1.198 . . . . 1.53 110.105 -179.621 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 354' ' ' GLN . 0.0 OUTLIER -85.22 141.84 29.85 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.004 -1.292 . . . . 4.21 109.636 -179.93 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.05 106.51 0.61 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 5.68 109.415 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.9 Cg_endo -60.85 133.46 47.94 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 121.972 1.781 . . . . 5.57 110.209 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 118.034 -1.425 . . . . 7.2 109.582 179.935 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.476 -0.564 . . . . 8.96 109.476 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.04 24.84 14.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 8.15 109.581 179.959 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.23 81.47 0.26 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 7.15 109.456 179.988 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.45 80.88 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.36 2.04 . . . . 4.35 110.572 -179.915 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.02 24.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.881 . . . . 4.63 109.679 179.645 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.44 -154.98 0.06 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.293 -0.879 . . . . 2.85 110.01 -179.267 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.38 153.41 52.91 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.982 -1.247 . . . . 1.12 109.982 -179.532 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -59.56 147.13 38.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -1.073 . . . . 2.11 109.549 179.895 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 51.1 m-85 -94.46 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.884 . . . . 0.64 109.338 179.834 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -138.09 -168.32 2.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.49 109.548 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 19.7 p -153.22 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.47 109.612 -179.788 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 345' ' ' ASN . 24.0 tp -150.1 133.01 16.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.42 109.38 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.5 126.39 34.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.902 . . . . 1.81 109.703 -179.826 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.0 mt -124.12 116.43 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.42 109.333 179.694 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.1 ttt-85 -74.0 159.64 32.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 2.35 109.862 -179.856 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 80.07 134.83 1.31 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.631 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 58.5 ttt180 -80.96 -49.1 11.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -1.1 . . . . 2.59 109.381 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.52 -51.02 71.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 2.54 109.488 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.11 85.51 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.315 -0.866 . . . . 3.39 109.299 -179.946 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' A' ' 329' ' ' THR . 42.1 t80 -55.29 -53.05 60.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.47 -0.769 . . . . 0.47 109.517 179.977 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -51.42 -34.54 35.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 1.66 109.815 -179.844 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.62 -50.52 70.92 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.245 -0.909 . . . . 0.61 109.981 -179.517 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.1 m-85 -60.74 -54.67 42.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.914 . . . . 0.33 109.223 -179.927 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.98 -34.37 28.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 3.28 109.507 179.835 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.35 -49.06 79.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 1.78 109.418 -179.86 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.14 -34.82 75.6 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.312 -0.868 . . . . 0.38 108.846 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' A' ' 330' ' ' LEU . 9.5 t-20 -59.23 -53.26 60.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.469 -0.769 . . . . 1.2 109.713 179.742 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.65 -33.24 74.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -0.811 . . . . 2.12 110.056 -179.544 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -53.31 59.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.142 -0.974 . . . . 0.26 110.12 -179.65 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.88 -43.52 98.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.4 109.731 -179.494 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -35.19 73.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 2.09 109.556 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.741 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.81 -40.86 92.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 0.75 109.381 -179.877 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 34.6 ttmt -62.17 -48.24 80.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 2.19 108.888 179.768 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.09 -34.46 68.33 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.597 -0.689 . . . . 1.34 109.63 179.598 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.72 109.852 -179.705 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.496 ' OE1' HD11 ' D' ' 350' ' ' LEU . 28.4 mt-30 -82.78 -9.98 59.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 1.8 109.572 -179.913 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -45.9 57.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 1.39 109.63 179.914 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 16.99 35.51 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.147 -1.181 . . . . 1.66 110.147 -179.623 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -85.22 141.88 29.82 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.017 -1.284 . . . . 4.45 109.638 -179.843 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.07 106.5 0.61 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 6.19 109.397 -179.986 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 2.9 Cg_endo -60.83 133.44 47.84 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.019 1.813 . . . . 5.58 110.248 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.939 -1.478 . . . . 6.9 109.546 -179.979 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.467 -0.568 . . . . 7.36 109.467 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 61.99 24.85 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 7.15 109.596 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.24 81.46 0.26 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 6.5 109.468 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.46 80.79 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.385 2.057 . . . . 4.5 110.599 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.01 24.4 1.82 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.266 -0.896 . . . . 4.32 109.699 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.49 -154.92 0.06 Allowed 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.364 -0.835 . . . . 2.46 109.962 -179.285 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 153.48 52.93 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.957 -1.257 . . . . 0.97 109.957 -179.454 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -59.62 147.18 38.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.431 -1.04 . . . . 1.67 109.506 179.928 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 51.3 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.61 109.374 179.791 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 69.8 m-85 -138.11 -168.29 2.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.56 109.504 -179.901 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 19.5 p -153.21 162.64 41.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.43 109.615 -179.748 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 329' ' ' THR . 23.9 tp -150.03 133.11 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.35 109.361 179.992 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -86.61 126.31 34.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.915 . . . . 1.37 109.744 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -124.06 116.53 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.48 109.326 179.72 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.503 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 2.1 ttt-85 -74.08 159.66 32.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 2.08 109.861 -179.859 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 80.2 134.73 1.33 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.86 -1.296 . . . . 0.4 109.86 179.6 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 58.5 ttt180 -81.01 -49.0 11.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 2.64 109.388 179.805 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.58 -51.07 71.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.398 -0.814 . . . . 2.22 109.416 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.1 85.47 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 2.74 109.23 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.1 t80 -55.3 -53.04 61.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.43 109.515 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.43 -34.51 35.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.318 -0.864 . . . . 1.69 109.779 -179.835 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.67 -50.56 70.67 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.166 -0.959 . . . . 0.43 109.882 -179.476 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.1 m-85 -60.72 -54.68 42.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.27 109.213 -179.915 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.01 -34.4 29.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.365 -0.834 . . . . 2.45 109.483 179.879 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.32 -49.03 79.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 1.75 109.477 -179.912 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.15 -34.78 75.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.358 -0.839 . . . . 0.31 108.846 179.683 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' B' ' 330' ' ' LEU . 9.6 t-20 -59.27 -53.28 60.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.483 -0.76 . . . . 1.22 109.713 179.759 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.374 -0.829 . . . . 1.73 110.092 -179.542 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.63 -53.25 59.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.18 -0.95 . . . . 0.28 110.077 -179.584 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.0 mt -60.83 -43.52 98.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.31 109.747 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.53 -35.3 73.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -0.929 . . . . 1.91 109.573 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -65.62 -41.0 93.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.281 -0.887 . . . . 0.43 109.417 -179.914 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -62.09 -48.31 80.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.842 . . . . 1.57 108.942 179.734 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.06 -34.5 68.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.467 -0.771 . . . . 1.44 109.627 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.37 69.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.64 109.84 -179.716 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' D' ' 357' ' ' LYS . 28.3 mt-30 -82.77 -10.04 59.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.128 -0.983 . . . . 1.21 109.476 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.83 57.88 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 1.22 109.662 179.915 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 17.09 35.54 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.113 -1.195 . . . . 1.5 110.113 -179.617 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -85.29 141.86 29.78 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.071 -1.252 . . . . 4.18 109.622 -179.865 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.0 106.48 0.61 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 5.67 109.454 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.9 Cg_endo -60.81 133.45 47.96 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 121.998 1.799 . . . . 5.65 110.249 -179.962 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.962 -1.465 . . . . 7.27 109.562 179.962 . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.429 -0.582 . . . . 7.33 109.429 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.28 94.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 7.21 109.71 179.885 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.527 ' O ' HD23 ' A' ' 323' ' ' LEU . 16.7 mttm 57.65 89.1 0.11 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 6.47 109.516 179.761 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.88 81.28 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.299 1.999 . . . . 4.53 110.584 179.995 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 321' ' ' LYS . 4.6 mm? -83.71 17.22 2.35 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 4.35 109.935 179.564 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.2 -170.74 1.8 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.018 . . . . 2.48 109.567 -179.674 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 163.41 48.86 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.658 -1.377 . . . . 0.98 109.658 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.64 142.24 50.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -1.131 . . . . 1.7 109.449 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 54.2 m-85 -93.28 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.355 -0.841 . . . . 0.61 109.468 179.955 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.8 m-85 -138.44 -163.97 1.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.58 109.424 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 22.4 p -154.41 161.16 41.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.113 -0.992 . . . . 0.42 109.698 -179.859 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.0 tp -149.01 132.93 17.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 0.36 109.365 179.97 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 34.3 tt0 -85.66 134.33 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 1.37 109.711 -179.921 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' A' ' 338' ' ' PHE . 53.3 mt -123.93 119.96 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.915 . . . . 0.47 109.464 179.839 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.69 45.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 2.1 109.756 -179.906 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.23 138.52 4.44 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.89 -1.284 . . . . 0.42 109.89 179.626 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.9 ttp180 -81.22 -47.11 13.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -1.088 . . . . 2.68 109.317 179.707 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 337' ' ' ARG . 16.4 pt-20 -58.52 -47.83 82.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 2.22 109.383 179.896 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 336' ' ' GLU . 1.8 ttm180 -61.47 -39.95 92.75 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.409 -0.807 . . . . 2.77 109.496 179.797 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' A' ' 332' ' ' ILE . 37.2 t80 -54.9 -54.77 38.33 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.378 -0.826 . . . . 0.43 109.597 -179.895 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.65 -34.52 38.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -0.821 . . . . 1.66 109.773 -179.823 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.89 -50.31 69.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.248 -0.908 . . . . 0.44 110.229 -179.514 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 29.4 m-85 -60.78 -52.47 64.94 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.276 -0.89 . . . . 0.29 109.338 -179.818 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -51.35 -37.11 46.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.364 -0.835 . . . . 2.44 109.734 179.875 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 1.74 109.764 -179.72 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.15 -32.76 72.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.21 -0.931 . . . . 0.3 108.914 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.425 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.5 t-20 -58.79 -54.81 42.92 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.419 -0.801 . . . . 1.22 109.386 179.53 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.32 -30.78 71.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.429 -0.794 . . . . 1.72 109.869 -179.916 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -55.58 32.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.27 110.048 -179.54 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.04 -42.09 97.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -0.854 . . . . 0.29 109.479 -179.737 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.16 -34.7 72.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 1.91 109.507 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 350' ' ' LEU . 17.1 tp -65.2 -42.04 93.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.833 . . . . 0.41 109.235 179.862 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -50.17 73.72 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.768 0.794 . . . . 1.56 108.881 179.519 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -30.3 67.76 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 1.43 109.623 179.61 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.33 69.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.66 109.432 -179.764 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.79 -57.48 3.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.866 . . . . 1.18 109.379 179.722 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.99 -3.54 20.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 1.23 109.659 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 4.93 84.62 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.562 -1.415 . . . . 1.54 109.562 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 119.47 26.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.117 -1.226 . . . . 4.18 109.657 -179.84 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.66 111.72 2.42 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 5.71 109.575 179.948 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.13 133.1 45.04 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.1 1.866 . . . . 5.61 110.309 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 CA-C-O 118.015 -1.436 . . . . 7.24 109.516 179.937 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.464 -0.569 . . . . 7.34 109.464 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.27 94.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 7.17 109.753 179.815 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.534 ' O ' HD23 ' B' ' 323' ' ' LEU . 16.7 mttm 57.71 89.02 0.11 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.874 . . . . 6.44 109.609 179.843 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.77 81.32 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.395 2.063 . . . . 4.54 110.524 -179.942 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 321' ' ' LYS . 4.6 mm? -83.78 17.17 2.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 4.32 109.905 179.553 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -77.09 -170.87 1.81 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.189 -0.945 . . . . 2.47 109.569 -179.696 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.15 163.37 48.3 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.64 -1.384 . . . . 0.95 109.64 -179.857 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.67 142.25 50.25 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.205 -1.174 . . . . 1.61 109.519 179.924 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -93.25 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.324 -0.86 . . . . 0.57 109.498 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.41 -163.93 1.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.53 109.389 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 22.3 p -154.57 161.09 41.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 0.38 109.647 -179.896 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.2 tp -148.91 133.05 17.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.342 -179.938 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 34.3 tt0 -85.76 134.3 33.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.36 109.684 -179.868 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' B' ' 338' ' ' PHE . 53.3 mt -123.85 119.86 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.49 109.531 179.851 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.7 45.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 2.1 109.743 -179.897 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.07 138.57 4.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.906 -1.277 . . . . 0.44 109.906 179.67 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.0 ttp180 -81.22 -47.05 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -1.111 . . . . 2.72 109.347 179.764 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.58 -47.72 83.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.21 109.393 179.858 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.59 -39.98 93.12 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.349 -0.844 . . . . 2.79 109.395 179.874 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' B' ' 332' ' ' ILE . 36.8 t80 -54.88 -54.79 37.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 0.45 109.546 -179.907 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.68 -34.42 38.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.68 109.806 -179.783 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.94 -50.24 69.45 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.226 -0.921 . . . . 0.43 110.204 -179.487 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.607 ' HB2' HD13 ' B' ' 332' ' ' ILE . 29.3 m-85 -60.86 -52.44 65.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.955 . . . . 0.28 109.37 -179.817 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -51.42 -37.0 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 2.52 109.742 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.57 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.121 -0.987 . . . . 1.75 109.776 -179.806 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.14 -32.72 72.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.187 -0.946 . . . . 0.31 108.945 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' D' ' 330' ' ' LEU . 51.3 t30 -58.78 -54.78 43.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.381 -0.824 . . . . 1.21 109.344 179.494 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.48 -30.69 71.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.456 -0.778 . . . . 1.69 109.828 -179.809 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -55.52 32.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.27 109.995 -179.536 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -42.04 97.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.3 109.374 -179.619 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.17 -34.66 72.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 1.93 109.524 179.889 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' B' ' 350' ' ' LEU . 17.1 tp -65.3 -42.0 93.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.4 109.22 179.861 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -50.25 73.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 1.59 108.859 179.486 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.3 67.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.691 -0.631 . . . . 1.43 109.569 179.634 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.31 69.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.347 -0.846 . . . . 0.65 109.322 -179.646 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.71 -57.45 3.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.239 -0.913 . . . . 1.19 109.439 179.702 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.97 -3.61 20.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.873 . . . . 1.22 109.736 179.989 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.93 4.94 84.36 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.685 -1.366 . . . . 1.53 109.685 179.91 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 119.48 26.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.132 -1.217 . . . . 4.21 109.616 -179.825 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.74 111.83 2.51 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 5.68 109.65 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -61.12 133.06 44.81 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.013 1.809 . . . . 5.57 110.252 -179.975 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.49 -1.444 . . . . 7.2 109.49 179.916 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.41 -0.589 . . . . 8.96 109.41 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.21 94.97 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.221 -0.925 . . . . 8.15 109.666 179.822 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.536 ' O ' HD23 ' C' ' 323' ' ' LEU . 16.7 mttm 57.67 89.1 0.11 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 7.15 109.489 179.721 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.8 81.21 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.382 2.054 . . . . 4.35 110.534 -179.993 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.536 HD23 ' O ' ' C' ' 321' ' ' LYS . 4.6 mm? -83.67 17.18 2.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.132 -0.98 . . . . 4.63 109.844 179.576 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -77.11 -170.78 1.79 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.12 -0.987 . . . . 2.85 109.531 -179.686 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 163.49 48.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.661 -1.376 . . . . 1.12 109.661 -179.862 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.69 142.34 50.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -1.09 . . . . 2.11 109.467 -180.0 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -93.45 158.77 15.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.64 109.451 179.943 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.38 -164.0 1.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 0.49 109.37 -179.827 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 22.5 p -154.44 161.15 41.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -0.988 . . . . 0.47 109.71 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.3 tp -149.01 133.02 17.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 0.42 109.333 179.975 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 34.4 tt0 -85.67 134.33 33.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.81 109.745 -179.963 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' HD1' ' C' ' 338' ' ' PHE . 53.1 mt -123.88 119.83 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.42 109.494 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.08 146.72 45.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 2.35 109.745 -179.945 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.0 138.52 4.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.961 -1.256 . . . . 0.41 109.961 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.8 ttp180 -81.15 -47.11 13.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -1.088 . . . . 2.59 109.377 179.696 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.51 -47.94 82.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.386 -0.821 . . . . 2.54 109.333 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.45 -39.88 92.46 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.399 -0.813 . . . . 3.39 109.476 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.625 ' HD1' HD12 ' C' ' 332' ' ' ILE . 36.6 t80 -54.98 -54.69 39.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.47 109.544 -179.881 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -51.77 -34.44 39.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 1.66 109.736 -179.781 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.93 -50.26 69.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.174 -0.953 . . . . 0.61 110.257 -179.511 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' C' ' 332' ' ' ILE . 29.3 m-85 -60.89 -52.37 65.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.33 109.317 -179.876 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -51.46 -37.08 47.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.344 -0.847 . . . . 3.28 109.726 179.909 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.46 77.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.78 109.788 -179.684 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.13 -32.8 72.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.251 -0.906 . . . . 0.38 108.881 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 51.4 t30 -58.83 -54.67 44.48 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.437 -0.789 . . . . 1.2 109.381 179.641 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.36 -30.85 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.302 -0.874 . . . . 2.12 109.851 -179.928 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.03 -55.57 32.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.26 110.062 -179.571 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -41.94 97.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 0.4 109.493 -179.673 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.23 -34.67 72.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.243 -0.91 . . . . 2.09 109.436 179.845 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.9 tp -65.29 -41.99 93.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.75 109.2 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.18 73.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.851 . . . . 2.19 108.802 179.541 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.24 67.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.576 -0.703 . . . . 1.34 109.638 179.574 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.56 -29.42 70.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.72 109.369 -179.743 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -82.72 -57.47 3.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.369 -0.832 . . . . 1.8 109.39 179.759 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.01 -3.45 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.296 -0.878 . . . . 1.39 109.726 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.87 4.76 84.54 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.643 -1.383 . . . . 1.66 109.643 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 119.52 26.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -1.196 . . . . 4.45 109.623 -179.779 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.71 111.72 2.43 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 6.19 109.565 179.98 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.08 133.12 45.28 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.986 1.791 . . . . 5.58 110.353 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 N-CA-C 109.46 -1.456 . . . . 6.9 109.46 179.984 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.341 -0.614 . . . . 7.36 109.341 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.3 95.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 7.15 109.682 179.916 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.543 ' O ' HD23 ' D' ' 323' ' ' LEU . 16.7 mttm 57.63 89.08 0.11 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 6.5 109.589 179.812 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.8 81.24 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.375 2.05 . . . . 4.5 110.567 -179.988 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.543 HD23 ' O ' ' D' ' 321' ' ' LYS . 4.6 mm? -83.68 17.13 2.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.11 -0.994 . . . . 4.32 109.978 179.555 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.04 -170.78 1.77 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 2.46 109.66 -179.7 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 163.4 49.05 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.691 -1.363 . . . . 0.97 109.691 -179.873 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.62 142.28 49.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -1.155 . . . . 1.67 109.475 -179.888 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -93.34 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.61 109.424 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.7 m-85 -138.48 -163.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.56 109.39 -179.897 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 22.5 p -154.5 161.03 41.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.04 -1.037 . . . . 0.43 109.724 -179.822 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -148.98 133.01 17.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.324 -0.86 . . . . 0.35 109.362 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 34.2 tt0 -85.84 134.43 33.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.37 109.587 -179.739 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.619 HD12 ' HD1' ' D' ' 338' ' ' PHE . 53.0 mt -123.93 119.72 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.341 -0.849 . . . . 0.48 109.482 179.928 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.1 146.72 45.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 2.08 109.722 -179.943 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.463 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.18 138.37 4.36 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.947 -1.261 . . . . 0.4 109.947 179.644 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.9 ttp180 -81.06 -47.09 14.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.297 -1.12 . . . . 2.64 109.371 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.59 -47.67 83.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 2.22 109.372 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -61.69 -39.79 92.68 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.24 -0.912 . . . . 2.74 109.464 179.884 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.619 ' HD1' HD12 ' D' ' 332' ' ' ILE . 37.3 t80 -54.99 -54.75 38.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.368 -0.833 . . . . 0.43 109.627 -179.988 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.57 -34.52 37.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 1.69 109.843 -179.892 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.88 -50.3 69.31 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.207 -0.933 . . . . 0.43 110.208 -179.458 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.601 ' HB2' HD13 ' D' ' 332' ' ' ILE . 29.2 m-85 -60.91 -52.37 65.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.27 109.351 -179.771 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -51.37 -37.13 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.443 -0.785 . . . . 2.45 109.741 179.788 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.07 -49.56 77.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.167 -0.958 . . . . 1.75 109.732 -179.709 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.0 -32.85 72.42 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.26 -0.9 . . . . 0.31 108.962 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' B' ' 330' ' ' LEU . 51.1 t30 -58.8 -54.7 44.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.427 -0.796 . . . . 1.22 109.395 179.55 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.41 -30.83 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 1.73 109.849 -179.903 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -55.55 32.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.28 110.08 -179.569 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.23 -41.96 97.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.939 . . . . 0.31 109.411 -179.667 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.2 -34.71 72.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.873 . . . . 1.91 109.444 179.902 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.506 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 17.1 tp -65.3 -41.95 93.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.28 -0.887 . . . . 0.43 109.159 179.929 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.22 73.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.57 108.764 179.528 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.97 -30.12 67.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.639 -0.663 . . . . 1.44 109.636 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.71 -29.35 69.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.64 109.302 -179.717 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.62 -57.61 3.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.896 . . . . 1.21 109.441 179.675 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.9 -3.49 19.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 1.22 109.844 179.967 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.88 4.82 84.46 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.677 -1.369 . . . . 1.5 109.677 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 119.47 26.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -1.175 . . . . 4.18 109.627 -179.812 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.68 111.74 2.43 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.885 . . . . 5.67 109.622 179.898 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.09 133.07 44.96 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.133 1.889 . . . . 5.65 110.287 179.979 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 118.0 -1.444 . . . . 7.27 109.515 180.0 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.396 -0.594 . . . . 7.33 109.396 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.06 91.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 7.21 109.593 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.54 68.27 1.38 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 6.47 109.622 179.888 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.14 168.59 5.91 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.182 1.921 . . . . 4.53 110.138 179.849 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.53 103.63 10.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.909 . . . . 4.35 109.571 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.48 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -81.27 160.95 24.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.356 -0.84 . . . . 2.48 109.335 179.754 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 176.9 27.57 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.734 -1.346 . . . . 0.98 109.734 179.975 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.58 142.91 47.87 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.329 -1.101 . . . . 1.7 109.31 179.786 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.48 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 24.2 m-85 -93.83 155.96 16.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.61 109.834 -179.634 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.2 m-85 -138.75 -169.16 2.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.58 109.324 179.892 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 25.0 p -154.01 156.65 37.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.42 109.645 -179.798 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.7 133.64 18.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.36 109.544 -179.869 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.51 131.04 34.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 1.37 109.104 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.39 112.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.47 109.687 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.21 145.74 46.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 2.1 109.371 179.807 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 96.67 136.78 9.12 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.721 -1.352 . . . . 0.42 109.721 179.932 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.0 ttm180 -80.25 -56.45 4.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -1.079 . . . . 2.68 109.528 179.99 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.31 -42.69 87.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 2.22 109.507 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -43.03 95.76 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.283 -0.886 . . . . 2.77 109.447 -179.971 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.6 t80 -55.83 -55.45 32.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.43 109.628 -179.948 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.26 -36.24 30.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.66 109.75 -179.768 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.61 -48.45 77.28 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.231 -0.918 . . . . 0.44 110.058 -179.597 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.14 -55.97 26.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.29 109.303 -179.878 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.48 -34.5 25.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.371 -0.831 . . . . 2.44 109.495 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.1 -49.72 76.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.165 -0.959 . . . . 1.74 109.585 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.58 -34.33 75.43 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.863 . . . . 0.3 108.94 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.36 -54.16 49.92 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.434 -0.791 . . . . 1.22 109.651 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.95 -33.46 75.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.496 -0.752 . . . . 1.72 110.083 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.89 -53.47 57.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 0.27 110.087 -179.546 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.22 -42.59 98.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.29 109.659 -179.607 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.12 -34.18 73.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 1.91 109.716 -179.923 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.423 HD23 HD23 ' B' ' 350' ' ' LEU . 7.2 tp -64.53 -47.49 78.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.898 . . . . 0.41 109.673 -179.802 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.38 -45.48 94.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.785 . . . . 1.56 109.19 -179.954 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.07 -30.6 64.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.6 -0.687 . . . . 1.43 109.672 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.62 82.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.66 110.05 -179.578 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -82.31 -9.69 59.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 1.18 109.685 -179.703 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -4.72 34.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.202 -0.936 . . . . 1.23 109.652 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.5 -4.98 90.28 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.998 -1.241 . . . . 1.54 109.998 -179.623 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 96.21 10.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.254 . . . . 4.18 109.398 179.922 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.557 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 1.2 mm-40 -51.64 -57.02 16.05 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 5.71 109.905 -179.858 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 4.4 Cg_exo -59.46 148.18 88.1 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.871 1.714 . . . . 5.61 110.29 -179.931 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 118.015 -1.436 . . . . 7.24 109.58 -179.842 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.414 -0.587 . . . . 7.34 109.414 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.16 91.44 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 7.17 109.605 -179.986 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.62 68.15 1.39 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 6.44 109.681 179.922 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.95 168.64 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.24 1.96 . . . . 4.54 110.095 179.913 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.8 mt -80.64 103.73 10.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 4.32 109.599 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.478 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -81.36 160.88 24.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 2.47 109.361 179.784 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 176.87 26.86 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.705 -1.358 . . . . 0.95 109.705 179.969 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.63 142.99 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -1.115 . . . . 1.61 109.183 179.791 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 24.6 m-85 -93.83 156.02 16.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.237 -0.914 . . . . 0.57 109.844 -179.715 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.3 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.53 109.31 179.843 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.417 HG23 ' O ' ' B' ' 328' ' ' PHE . 24.8 p -154.06 156.64 37.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.962 . . . . 0.38 109.657 -179.78 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.68 133.54 18.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.36 109.557 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.41 131.07 34.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 1.36 109.188 179.784 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.7 mt -123.46 112.1 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.49 109.65 -179.795 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.24 145.96 45.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.223 -0.923 . . . . 2.1 109.321 179.808 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 96.51 136.83 9.1 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.924 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.0 ttm180 -80.34 -56.52 4.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -1.106 . . . . 2.72 109.445 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.19 -43.01 87.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.342 -0.849 . . . . 2.21 109.469 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.69 -43.23 94.13 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.351 -0.843 . . . . 2.79 109.485 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.8 t80 -55.79 -55.42 32.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.45 109.638 -179.973 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -50.39 -36.14 31.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.277 -0.889 . . . . 1.68 109.871 -179.774 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.51 -48.44 77.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.341 -0.849 . . . . 0.43 110.104 -179.748 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.2 -55.89 27.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.184 -0.948 . . . . 0.28 109.367 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.49 -34.51 25.37 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.442 -0.787 . . . . 2.52 109.5 179.745 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.09 -49.61 76.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.186 -0.946 . . . . 1.75 109.647 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.7 -34.22 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.912 . . . . 0.31 108.885 179.813 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.44 -54.1 50.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.503 -0.748 . . . . 1.21 109.643 179.659 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.04 -33.48 75.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.424 -0.798 . . . . 1.69 110.07 -179.51 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -53.47 57.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.275 -0.89 . . . . 0.27 110.003 -179.527 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.16 -42.71 99.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.28 -0.888 . . . . 0.3 109.591 -179.552 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.04 -34.22 73.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 1.93 109.716 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.423 HD23 HD23 ' A' ' 350' ' ' LEU . 7.2 tp -64.58 -47.37 78.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.4 109.71 -179.832 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.51 93.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.361 -0.837 . . . . 1.59 109.205 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.49 64.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.476 -0.765 . . . . 1.43 109.704 179.735 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.79 81.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.779 . . . . 0.65 109.94 -179.56 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -82.2 -9.83 59.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 1.19 109.69 -179.679 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.98 -4.67 33.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 1.22 109.712 179.874 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.44 -4.99 90.3 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.019 -1.232 . . . . 1.53 110.019 -179.672 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 96.33 10.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.271 . . . . 4.21 109.316 179.966 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 1.2 mm-40 -51.63 -57.08 15.81 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.878 . . . . 5.68 109.949 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 4.5 Cg_exo -59.35 148.17 87.74 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 121.839 1.693 . . . . 5.57 110.223 -179.955 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.96 -1.466 . . . . 7.2 109.523 -179.954 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.44 -0.578 . . . . 8.96 109.44 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.05 91.59 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.335 -0.853 . . . . 8.15 109.549 179.993 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.52 68.21 1.4 Allowed Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 7.15 109.698 179.889 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.11 168.69 5.73 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.197 1.931 . . . . 4.35 110.023 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.8 mt -80.65 103.72 10.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -0.975 . . . . 4.63 109.555 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.485 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 0.9 OUTLIER -81.3 160.95 24.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.372 -0.83 . . . . 2.85 109.351 179.735 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 176.73 27.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.766 -1.334 . . . . 1.12 109.766 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.58 142.98 47.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -1.123 . . . . 2.11 109.262 179.824 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 24.0 m-85 -93.89 155.74 17.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.64 109.876 -179.645 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.9 m-85 -138.53 -169.02 2.51 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.49 109.352 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 328' ' ' PHE . 24.8 p -154.13 156.56 37.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.038 -1.039 . . . . 0.47 109.605 -179.785 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.61 133.63 18.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.374 -0.829 . . . . 0.42 109.537 -179.815 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.51 131.06 34.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.234 -0.916 . . . . 1.81 109.145 179.838 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.3 mt -123.43 112.02 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.949 . . . . 0.42 109.697 -179.855 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 145.81 46.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 2.35 109.372 179.724 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.63 136.8 9.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.68 -1.368 . . . . 0.41 109.68 179.831 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.0 ttm180 -80.37 -56.39 4.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -1.124 . . . . 2.59 109.509 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.21 -42.96 87.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.275 -0.89 . . . . 2.54 109.461 179.927 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.79 -43.18 94.54 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.252 -0.905 . . . . 3.39 109.489 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.66 -55.5 31.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.47 109.658 -179.966 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.4 -36.2 31.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 1.66 109.795 -179.739 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.42 -48.59 77.17 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.239 -0.913 . . . . 0.61 110.098 -179.714 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.08 -56.07 25.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.33 109.279 -179.825 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.36 -34.63 24.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.404 -0.81 . . . . 3.28 109.509 179.743 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.96 -49.78 76.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.068 -1.02 . . . . 1.78 109.621 -179.92 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.52 -34.37 75.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.885 . . . . 0.38 108.92 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.3 -54.14 50.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.2 109.718 179.693 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.0 -33.43 75.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.424 -0.797 . . . . 2.12 110.119 -179.556 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -53.54 56.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.197 -0.939 . . . . 0.26 109.94 -179.549 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.233 -0.917 . . . . 0.4 109.669 -179.535 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.05 -34.19 73.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.218 -0.926 . . . . 2.09 109.73 -179.975 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.409 HD23 HD23 ' D' ' 350' ' ' LEU . 7.3 tp -64.57 -47.4 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.75 109.657 -179.787 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.49 94.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 2.19 109.171 -179.918 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.59 64.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.523 -0.736 . . . . 1.34 109.613 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.38 -44.74 82.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 0.72 109.952 -179.489 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -82.25 -9.76 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 1.8 109.682 -179.696 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.02 -4.72 34.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 1.39 109.635 179.931 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.49 -4.99 90.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.074 -1.21 . . . . 1.66 110.074 -179.616 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.52 96.26 10.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.115 -1.226 . . . . 4.45 109.411 179.913 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.549 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 1.2 mm-40 -51.62 -57.05 15.9 Favored Pre-proline 0 N--CA 1.488 1.464 0 O-C-N 121.255 -0.903 . . . . 6.19 109.916 -179.876 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 4.5 Cg_exo -59.48 148.17 88.22 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 121.767 1.644 . . . . 5.58 110.221 -179.915 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.439 -1.464 . . . . 6.9 109.439 -179.966 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.411 -0.588 . . . . 7.36 109.411 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.16 91.49 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 7.15 109.553 179.974 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.52 68.26 1.39 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 6.5 109.624 179.896 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -60.05 168.62 5.75 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.147 1.898 . . . . 4.5 110.17 179.855 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 31.5 mt -80.58 103.63 10.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.139 -0.976 . . . . 4.32 109.655 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.474 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 0.9 OUTLIER -81.24 160.99 24.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.443 -0.786 . . . . 2.46 109.393 179.78 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 176.79 27.69 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.733 -1.347 . . . . 0.97 109.733 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.44 143.01 46.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -1.185 . . . . 1.67 109.179 179.827 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.474 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 24.3 m-85 -93.94 155.97 16.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.205 -0.934 . . . . 0.61 109.703 -179.678 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.2 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.353 -0.842 . . . . 0.56 109.337 179.816 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' D' ' 328' ' ' PHE . 25.0 p -154.04 156.77 37.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.129 -0.982 . . . . 0.43 109.657 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.74 133.55 17.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.35 109.561 -179.753 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -85.53 130.94 34.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 1.37 109.135 179.868 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.0 mt -123.29 112.04 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.48 109.683 -179.813 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 145.85 46.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 2.08 109.41 179.755 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.64 136.7 9.08 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.0 ttm180 -80.29 -56.34 4.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 2.64 109.569 179.88 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.29 -42.91 87.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 2.22 109.42 179.951 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.91 -43.07 95.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.246 -0.908 . . . . 2.74 109.467 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.5 t80 -55.91 -55.3 34.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.43 109.677 -179.969 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.33 -36.22 31.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 1.69 109.777 -179.837 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.59 -48.46 77.28 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.119 -0.988 . . . . 0.43 110.041 -179.592 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -61.1 -56.02 25.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.187 -0.945 . . . . 0.27 109.324 -179.834 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.42 -34.56 24.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.443 -0.785 . . . . 2.45 109.446 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.04 -49.74 76.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.112 -0.992 . . . . 1.75 109.547 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.57 -34.42 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.31 108.938 179.794 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.27 -54.18 49.8 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -0.789 . . . . 1.22 109.684 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.94 -33.4 75.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.368 -0.832 . . . . 1.73 110.096 -179.569 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.5 57.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.28 110.038 -179.559 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.2 -42.55 98.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.31 109.671 -179.573 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.19 -34.12 73.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 1.91 109.695 -179.922 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.409 HD23 HD23 ' C' ' 350' ' ' LEU . 7.3 tp -64.68 -47.39 78.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.43 109.676 -179.776 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -61.32 -45.53 94.07 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.438 -0.789 . . . . 1.57 109.176 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.19 -30.5 64.58 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.521 -0.737 . . . . 1.44 109.649 179.836 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.74 82.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.64 110.004 -179.599 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -82.25 -9.67 59.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 1.21 109.778 -179.785 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.93 -4.77 34.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.134 -0.979 . . . . 1.22 109.684 179.8 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.53 -4.91 90.29 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.004 -1.238 . . . . 1.5 110.004 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.57 96.3 10.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -1.223 . . . . 4.18 109.414 179.86 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.547 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 1.2 mm-40 -51.76 -56.95 16.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.269 -0.894 . . . . 5.67 109.919 -179.877 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 4.6 Cg_exo -59.51 148.13 88.48 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.909 1.739 . . . . 5.65 110.176 -179.899 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.495 -1.442 . . . . 7.27 109.495 -179.923 . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' A' ' 322' ' ' PRO . 10.4 mttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.473 -0.565 . . . . 7.33 109.473 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.18 56.93 4.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 7.21 109.414 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 62.97 77.3 0.34 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.904 . . . . 6.47 109.845 179.836 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' A' ' 319' ' ' LYS . 2.4 Cg_endo -68.67 -4.73 13.74 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.103 1.869 . . . . 4.53 110.15 179.657 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.54 33.99 0.58 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.131 -0.981 . . . . 4.35 109.875 179.887 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -78.25 -145.62 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.362 -0.836 . . . . 2.48 109.429 -179.844 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.03 157.53 51.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.421 -1.472 . . . . 0.98 109.421 -179.718 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.01 135.42 56.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.204 -1.174 . . . . 1.7 109.561 -179.866 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -92.92 155.08 17.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.61 109.449 179.874 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 89.1 m-85 -138.66 -167.46 2.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.291 -0.881 . . . . 0.58 109.711 -179.717 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.3 p -152.74 157.41 40.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.42 109.384 -179.865 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 11.0 tp -149.48 132.93 16.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 0.36 109.696 -179.799 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.347 -0.846 . . . . 1.37 109.111 179.682 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.77 113.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.16 -0.962 . . . . 0.47 109.889 -179.742 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -73.98 149.62 41.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 2.1 109.563 179.746 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.16 136.7 9.2 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.836 -1.306 . . . . 0.42 109.836 179.638 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.9 ttt180 -77.8 -61.96 1.83 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.324 -1.104 . . . . 2.68 109.37 179.787 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -39.58 78.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.316 -0.865 . . . . 2.22 109.282 179.802 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.1 87.43 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.263 -0.898 . . . . 2.77 109.577 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.17 -55.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.448 -0.782 . . . . 0.43 109.713 -179.801 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.0 -35.93 36.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.343 -0.848 . . . . 1.66 109.974 -179.717 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.5 -49.61 72.9 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.159 -0.963 . . . . 0.44 110.316 -179.326 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 332' ' ' ILE . 32.4 m-85 -60.74 -49.75 76.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.151 -0.968 . . . . 0.29 109.449 -179.757 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 8.0 ttm180 -51.51 -41.96 61.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.279 -0.888 . . . . 2.44 109.82 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -43.38 98.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.172 -0.955 . . . . 1.74 110.15 -179.55 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -62.04 -42.46 99.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.092 -1.005 . . . . 0.3 109.475 -179.733 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.4 -50.79 72.43 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.22 109.549 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.14 -30.17 70.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.21 -0.931 . . . . 1.72 109.786 -179.936 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.45 -53.71 52.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.27 109.994 -179.651 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.0 -42.31 98.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 0.29 109.662 -179.566 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.66 -36.89 77.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 1.91 109.731 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -64.35 -44.73 90.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.41 109.262 -179.815 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.38 -37.2 82.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.402 -0.811 . . . . 1.56 108.82 179.613 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -57.11 -32.69 66.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.513 -0.742 . . . . 1.43 109.285 179.568 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.68 -49.31 66.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.323 -0.861 . . . . 0.66 109.417 179.999 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.84 1.15 31.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.285 -0.884 . . . . 1.18 109.534 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.05 -78.06 0.08 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.116 -0.99 . . . . 1.23 109.901 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.57 13.29 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 120.292 -0.956 . . . . 1.54 110.796 -179.39 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 0.1 OUTLIER -84.58 133.06 34.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.788 -1.419 . . . . 4.18 109.369 179.872 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -48.34 108.16 0.88 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.26 -0.9 . . . . 5.71 109.55 -179.888 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.0 130.31 34.07 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.06 1.84 . . . . 5.61 110.38 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.996 -1.447 . . . . 7.24 109.612 179.996 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.412 ' HB3' ' HG3' ' B' ' 322' ' ' PRO . 10.5 mttp . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.507 -0.553 . . . . 7.34 109.507 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.07 56.97 4.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 7.17 109.504 -179.988 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 62.91 77.27 0.34 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.363 -0.835 . . . . 6.44 109.873 179.903 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.412 ' HG3' ' HB3' ' B' ' 319' ' ' LYS . 2.5 Cg_endo -68.51 -4.82 13.76 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.002 1.801 . . . . 4.54 110.289 179.558 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.42 34.04 0.57 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.125 -0.984 . . . . 4.32 109.947 179.879 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -78.34 -146.13 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.359 -0.838 . . . . 2.47 109.364 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.25 157.5 49.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.547 -1.421 . . . . 0.95 109.547 -179.838 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.05 135.45 56.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -1.128 . . . . 1.61 109.55 179.953 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -92.99 154.96 17.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.57 109.39 179.896 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 88.6 m-85 -138.57 -167.49 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.53 109.645 -179.755 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -152.71 157.36 40.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.38 109.339 -179.794 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 329' ' ' THR . 11.0 tp -149.44 133.0 16.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.237 -0.915 . . . . 0.36 109.727 -179.862 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 41.8 tt0 -86.63 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 1.36 109.007 179.695 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.2 mt -123.88 113.94 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 109.823 -179.791 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -74.01 149.65 41.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 2.1 109.507 179.765 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.08 136.63 9.16 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.973 -1.251 . . . . 0.44 109.973 179.679 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.401 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.9 ttt180 -77.66 -62.07 1.78 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.129 . . . . 2.72 109.316 179.837 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -39.47 78.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 2.21 109.298 179.935 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.14 87.28 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.323 -0.861 . . . . 2.79 109.617 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.1 -55.87 26.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.825 . . . . 0.45 109.703 -179.833 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.94 -35.97 36.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.68 110.019 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.74 72.7 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.176 -0.953 . . . . 0.43 110.303 -179.344 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.0 m-85 -60.83 -49.6 76.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.28 109.416 -179.655 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.52 -41.99 61.42 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.36 -0.837 . . . . 2.52 109.846 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.14 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.882 . . . . 1.75 110.081 -179.458 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' A' ' 344' ' ' LEU . 72.9 mt -61.97 -42.59 99.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.08 -1.013 . . . . 0.31 109.514 -179.772 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.21 -50.88 71.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.32 -0.863 . . . . 1.21 109.574 179.849 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.34 -30.03 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 1.69 109.655 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.45 -53.69 53.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 0.27 110.074 -179.691 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.04 -42.29 98.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.3 109.599 -179.597 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.65 -36.76 77.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.398 -0.814 . . . . 1.93 109.838 -179.885 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -64.36 -44.73 90.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.4 109.316 -179.938 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.41 -37.26 82.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 1.59 108.725 179.625 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -57.1 -32.67 66.54 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.526 -0.734 . . . . 1.43 109.311 179.563 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.61 -49.41 66.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.65 109.479 179.923 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -80.83 1.24 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.857 . . . . 1.19 109.635 179.899 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.09 -78.13 0.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.159 -0.963 . . . . 1.22 109.866 -179.876 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.67 12.85 Favored Glycine 0 N--CA 1.494 2.519 0 C-N-CA 120.304 -0.95 . . . . 1.53 110.795 -179.421 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 0.1 OUTLIER -84.62 133.01 34.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.821 -1.399 . . . . 4.21 109.366 179.873 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -48.27 107.99 0.85 Allowed Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.212 -0.93 . . . . 5.68 109.553 -179.917 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.88 130.25 34.01 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.075 1.85 . . . . 5.57 110.353 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.509 -1.436 . . . . 7.2 109.509 179.904 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' C' ' 322' ' ' PRO . 10.4 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.17 56.89 4.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 8.15 109.457 179.939 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 62.95 77.26 0.34 Allowed Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 7.15 109.872 179.871 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' C' ' 319' ' ' LYS . 2.5 Cg_endo -68.51 -4.83 13.79 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.063 1.842 . . . . 4.35 110.237 179.605 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.43 34.12 0.57 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.23 -0.919 . . . . 4.63 109.929 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.35 -145.83 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.318 -0.864 . . . . 2.85 109.396 -179.845 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.78 157.56 50.65 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.572 -1.411 . . . . 1.12 109.572 -179.811 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.03 135.46 56.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.156 -1.202 . . . . 2.11 109.514 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -92.96 155.03 17.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.185 -0.947 . . . . 0.64 109.322 179.962 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 89.0 m-85 -138.72 -167.52 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -0.848 . . . . 0.49 109.636 -179.75 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.4 p -152.76 157.26 40.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.47 109.447 -179.806 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.1 tp -149.35 132.97 16.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.42 109.678 -179.744 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.82 34.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.81 109.059 179.678 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.51 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.6 mt -123.85 113.9 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.42 109.835 -179.753 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.95 149.74 41.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.35 109.518 179.732 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.03 136.63 9.15 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.905 -1.278 . . . . 0.41 109.905 179.583 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.594 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt180 -77.65 -61.9 1.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -1.124 . . . . 2.59 109.503 179.759 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -39.59 79.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 2.54 109.267 179.813 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -47.18 87.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.39 109.596 179.992 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -54.92 -55.91 25.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.34 -0.85 . . . . 0.47 109.777 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.91 37.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.66 109.979 -179.67 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.78 72.55 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.16 -0.962 . . . . 0.61 110.293 -179.42 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.51 ' HB2' HD13 ' C' ' 332' ' ' ILE . 32.2 m-85 -60.78 -49.61 76.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.33 109.42 -179.646 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 8.1 ttm180 -51.61 -41.95 61.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -0.889 . . . . 3.28 109.787 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.12 -43.39 98.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 1.78 110.144 -179.57 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' D' ' 344' ' ' LEU . 72.2 mt -62.09 -42.53 99.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.213 -0.929 . . . . 0.38 109.421 -179.681 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -50.78 72.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 1.2 109.606 179.883 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -62.34 -30.09 70.92 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.385 -0.822 . . . . 2.12 109.695 -179.843 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.5 -53.66 53.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.253 -0.905 . . . . 0.26 110.016 -179.649 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.0 -42.29 98.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.4 109.695 -179.642 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.61 -36.96 77.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 2.09 109.749 -179.863 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -64.36 -44.76 90.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 0.75 109.261 -179.817 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 16.0 ttmm -61.37 -37.22 82.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.348 -0.845 . . . . 2.19 108.75 179.594 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -57.03 -32.68 66.43 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.471 -0.768 . . . . 1.34 109.331 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.75 -49.26 66.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.194 -0.941 . . . . 0.72 109.439 179.99 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -80.85 1.03 32.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 1.8 109.515 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.92 -78.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.157 -0.964 . . . . 1.39 109.923 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.54 13.42 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.788 -0.925 . . . . 1.66 110.788 -179.425 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 0.1 OUTLIER -84.57 133.17 34.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.815 -1.403 . . . . 4.45 109.389 179.849 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -48.51 108.12 0.88 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 6.19 109.477 -179.828 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.89 130.41 34.7 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 121.953 1.769 . . . . 5.58 110.354 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 118.062 -1.41 . . . . 6.9 109.634 179.941 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' D' ' 322' ' ' PRO . 10.5 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.393 -0.595 . . . . 7.36 109.393 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.13 56.93 4.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 7.15 109.476 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 63.01 77.13 0.34 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.841 . . . . 6.5 109.874 179.831 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' D' ' 319' ' ' LYS . 2.5 Cg_endo -68.52 -4.75 13.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.02 1.814 . . . . 4.5 110.275 179.622 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.47 34.15 0.58 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.07 -1.019 . . . . 4.32 109.98 179.745 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.37 -146.01 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.219 -0.926 . . . . 2.46 109.363 -179.856 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.57 157.58 50.1 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.59 -1.404 . . . . 0.97 109.59 -179.802 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.07 135.48 57.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.111 . . . . 1.67 109.511 -179.86 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -93.07 154.98 17.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -0.966 . . . . 0.61 109.376 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 88.6 m-85 -138.54 -167.55 2.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.56 109.704 -179.72 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 17.5 p -152.63 157.47 41.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.43 109.447 -179.87 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.53 132.92 16.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.942 . . . . 0.35 109.686 -179.817 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.53 129.97 34.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.81 . . . . 1.37 109.071 179.629 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.2 mt -123.93 113.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.48 109.826 -179.743 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.99 149.66 41.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.821 . . . . 2.08 109.475 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 136.68 9.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.911 -1.276 . . . . 0.4 109.911 179.565 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.9 ttt180 -77.71 -62.02 1.8 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -1.161 . . . . 2.64 109.375 179.822 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -39.45 78.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.852 . . . . 2.22 109.304 179.89 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -47.05 87.66 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.238 -0.914 . . . . 2.74 109.614 179.921 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.1 -55.84 26.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.429 -0.795 . . . . 0.43 109.691 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.89 37.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 1.69 110.009 -179.661 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.41 -49.72 72.65 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.111 -0.993 . . . . 0.43 110.308 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 32.3 m-85 -60.82 -49.54 77.07 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.241 -0.912 . . . . 0.27 109.492 -179.709 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.54 -42.01 61.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.87 . . . . 2.45 109.835 179.771 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.11 -43.43 98.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.211 -0.93 . . . . 1.75 110.095 -179.501 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' C' ' 344' ' ' LEU . 73.1 mt -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.177 -0.952 . . . . 0.31 109.524 -179.775 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.23 -50.86 72.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.22 109.553 179.928 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.27 -30.1 70.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 1.73 109.674 -179.78 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -53.81 51.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.239 -0.913 . . . . 0.28 110.042 -179.676 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.01 -42.33 98.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.26 -0.9 . . . . 0.31 109.654 -179.551 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.63 -36.82 77.11 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 1.91 109.783 -179.899 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.34 -44.73 90.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.43 109.219 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 15.9 ttmm -61.41 -37.21 82.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.234 -0.916 . . . . 1.57 108.773 179.597 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -57.14 -32.66 66.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.488 -0.757 . . . . 1.44 109.284 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.67 -49.39 66.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.64 109.434 179.952 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.78 1.03 32.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.21 109.586 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.93 -78.16 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 1.22 109.917 -179.86 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.36 8.55 12.92 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.777 -0.929 . . . . 1.5 110.777 -179.434 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 0.1 OUTLIER -84.64 133.05 34.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.863 -1.374 . . . . 4.18 109.398 179.918 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -48.23 108.14 0.87 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 5.67 109.495 -179.942 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.97 130.3 34.06 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.026 1.817 . . . . 5.65 110.332 -179.916 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.956 -1.469 . . . . 7.27 109.584 179.884 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.247 0.546 . . . . 7.33 109.542 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.08 88.91 0.07 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 7.21 109.506 179.953 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.76 73.83 0.71 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 6.47 109.622 179.888 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.18 -2.67 9.34 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.191 1.928 . . . . 4.53 110.658 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.32 102.87 10.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.905 -1.122 . . . . 4.35 109.567 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 6.2 m-20 -81.05 -174.68 5.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.865 . . . . 2.48 109.351 179.812 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.11 -175.71 12.05 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.304 -1.518 . . . . 0.98 109.304 179.859 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.96 136.41 57.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.096 -1.238 . . . . 1.7 109.344 179.925 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 70.1 m-85 -93.45 158.4 15.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.911 . . . . 0.61 109.515 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 98.6 m-85 -138.8 -171.33 3.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.224 -0.923 . . . . 0.58 109.369 179.921 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 35.2 p -154.36 152.88 30.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.42 109.517 -179.883 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.8 tp -147.57 133.18 18.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.918 . . . . 0.36 109.464 -179.788 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 21.5 tt0 -85.88 135.03 33.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -0.849 . . . . 1.37 109.465 -179.917 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' A' ' 341' ' ' PHE . 35.9 mt -123.42 113.22 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.47 109.379 179.843 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.445 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.0 OUTLIER -73.67 141.03 46.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.301 -0.874 . . . . 2.1 109.482 -179.937 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.92 10.55 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.788 -1.325 . . . . 0.42 109.788 179.922 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -75.59 -64.24 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -1.171 . . . . 2.68 109.5 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.42 -35.95 70.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 2.22 109.131 179.898 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.449 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.99 -47.54 82.69 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.41 -0.806 . . . . 2.77 109.445 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -56.26 -55.7 30.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 0.43 109.624 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.91 -37.95 54.43 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.418 -0.801 . . . . 1.66 110.264 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.06 -47.68 81.89 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.149 -0.969 . . . . 0.44 110.34 -179.162 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.67 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.4 m-85 -61.81 -49.43 76.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.29 109.451 -179.588 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.37 -37.35 47.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.371 -0.831 . . . . 2.44 109.857 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.4 -50.98 71.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.74 110.013 -179.558 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 344' ' ' LEU . 86.1 mt -60.99 -33.7 73.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.181 -0.949 . . . . 0.3 108.996 179.962 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.59 ' HB2' HD21 ' C' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.67 31.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 1.22 109.512 179.633 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.84 -28.19 69.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.72 109.836 -179.712 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -57.75 11.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.88 . . . . 0.27 109.927 -179.642 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.61 -37.43 81.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.29 109.409 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.05 -36.27 76.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.181 -0.949 . . . . 1.91 109.506 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 350' ' ' LEU . 20.4 tp -64.24 -43.41 94.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.41 109.469 179.918 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.52 -47.07 87.25 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.773 . . . . 1.56 109.079 179.896 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.22 -29.67 65.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.594 -0.691 . . . . 1.43 109.783 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.7 90.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.893 . . . . 0.66 110.003 -179.281 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 357' ' ' LYS . 3.2 mt-30 -83.83 -25.72 30.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 1.18 109.771 -179.83 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.78 -4.74 39.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 1.23 109.767 179.794 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.73 -4.8 85.78 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.955 -1.258 . . . . 1.54 109.955 -179.565 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 357' ' ' LYS . 0.0 OUTLIER -88.16 91.89 8.95 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.269 . . . . 4.18 109.437 179.921 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.1 152.78 5.37 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 5.71 109.463 179.951 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.47 136.01 60.78 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.118 1.879 . . . . 5.61 110.13 179.925 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 118.04 -1.422 . . . . 7.24 109.578 -179.996 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.473 -0.566 . . . . 7.34 109.473 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.03 88.88 0.07 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 7.17 109.525 179.934 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.83 73.72 0.72 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 6.44 109.579 179.875 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.1 -2.54 9.04 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.231 1.954 . . . . 4.54 110.622 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 83.1 mt -81.38 102.83 10.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.998 -1.064 . . . . 4.32 109.594 179.963 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' D' ' 333' ' ' ARG . 6.1 m-20 -80.9 -174.64 4.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 2.47 109.408 179.813 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.12 -175.69 12.07 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.259 -1.536 . . . . 0.95 109.259 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.97 136.41 57.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -1.147 . . . . 1.61 109.363 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 70.6 m-85 -93.49 158.47 15.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.57 109.494 -179.91 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.89 -171.5 3.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.53 109.393 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.552 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 34.9 p -154.18 153.15 31.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 0.38 109.43 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -147.7 133.12 18.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.36 109.416 -179.81 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 21.6 tt0 -85.87 135.14 33.82 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.31 -0.869 . . . . 1.36 109.501 179.924 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.679 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.3 mt -123.57 113.29 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.49 109.355 179.83 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.443 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.7 140.98 46.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.428 -0.795 . . . . 2.1 109.52 -179.942 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.46 139.9 10.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -75.51 -64.34 1.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 2.72 109.523 179.848 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.26 -36.12 70.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.854 . . . . 2.21 109.125 179.885 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.89 -47.66 82.13 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.461 179.907 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' B' ' 332' ' ' ILE . 41.4 t80 -56.1 -55.82 28.38 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.474 -0.766 . . . . 0.45 109.655 179.897 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.75 -38.11 54.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 1.68 110.234 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.04 -47.69 81.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.123 -0.986 . . . . 0.43 110.297 -179.042 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.679 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -61.74 -49.39 76.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.28 109.54 -179.635 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.33 -37.46 47.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.382 -0.824 . . . . 2.52 109.921 179.961 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.2 -51.22 70.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.143 -0.973 . . . . 1.75 110.038 -179.646 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 344' ' ' LEU . 86.5 mt -60.92 -33.65 73.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.31 109.01 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.541 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.79 30.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.5 -0.75 . . . . 1.21 109.496 179.658 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.62 -28.3 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.69 109.857 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.31 -57.63 11.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.943 . . . . 0.27 109.975 -179.606 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.76 -37.3 81.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.3 109.372 -179.835 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.06 -36.39 77.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.93 109.389 179.746 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.4 tp -64.22 -43.41 95.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.4 109.524 -180.0 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.48 -47.16 86.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.382 -0.824 . . . . 1.59 109.022 179.858 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.12 -29.72 65.74 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.415 0.626 . . . . 1.43 109.865 179.771 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.8 91.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.266 -0.896 . . . . 0.65 110.024 -179.229 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' B' ' 357' ' ' LYS . 3.2 mt-30 -83.76 -25.74 30.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.19 109.714 -179.774 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.78 -4.79 39.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 1.22 109.699 179.892 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.78 -4.76 85.84 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.967 -1.253 . . . . 1.53 109.967 -179.499 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' B' ' 357' ' ' LYS . 0.0 OUTLIER -88.25 91.86 8.94 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.122 -1.222 . . . . 4.21 109.45 179.969 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.09 152.72 5.4 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.915 . . . . 5.68 109.48 -179.986 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.36 135.97 60.99 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.159 1.906 . . . . 5.57 110.178 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.92 -1.489 . . . . 7.2 109.555 -179.972 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.452 -0.573 . . . . 8.96 109.452 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.0 88.9 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 8.15 109.547 179.844 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.77 73.84 0.71 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.85 . . . . 7.15 109.517 179.946 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.09 -2.7 9.3 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.255 1.97 . . . . 4.35 110.637 179.919 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 83.7 mt -81.32 102.93 10.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.949 -1.095 . . . . 4.63 109.458 -179.917 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.449 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 6.2 m-20 -81.06 -174.69 5.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.351 -0.843 . . . . 2.85 109.321 179.76 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.09 -175.63 11.86 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.245 -1.542 . . . . 1.12 109.245 179.824 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.05 136.35 57.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -1.206 . . . . 2.11 109.298 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 70.1 m-85 -93.3 158.45 15.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.27 -0.894 . . . . 0.64 109.544 -179.994 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.89 -171.43 3.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.49 109.412 179.885 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 34.9 p -154.23 152.92 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.938 . . . . 0.47 109.543 -179.922 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.8 tp -147.48 133.25 18.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.42 109.381 -179.715 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 21.5 tt0 -86.07 135.05 33.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 1.81 109.48 179.986 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.669 HD13 ' HB2' ' C' ' 341' ' ' PHE . 35.8 mt -123.44 113.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.138 -0.976 . . . . 0.42 109.403 179.815 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.4 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.75 141.0 46.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.377 -0.827 . . . . 2.35 109.499 -179.915 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.84 10.51 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.756 -1.338 . . . . 0.41 109.756 179.871 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -75.46 -64.27 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -1.047 . . . . 2.59 109.545 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.33 -35.95 70.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.877 . . . . 2.54 109.208 179.86 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.44 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.61 82.45 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 3.39 109.405 179.874 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.576 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -56.18 -55.72 29.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.478 -0.764 . . . . 0.47 109.621 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.01 -37.86 54.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.39 -0.819 . . . . 1.66 110.208 -179.63 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.07 -47.64 82.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.061 -1.024 . . . . 0.61 110.45 -179.173 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.669 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.2 m-85 -61.85 -49.26 76.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 0.33 109.515 -179.679 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.45 -37.44 48.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 3.28 109.79 179.993 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.36 -50.98 71.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.134 -0.979 . . . . 1.78 110.006 -179.529 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.0 -33.76 73.75 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.934 . . . . 0.38 108.955 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.3 t-20 -59.36 -55.61 32.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.2 109.589 179.64 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.91 -28.11 69.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.427 -0.795 . . . . 2.12 109.865 -179.759 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -57.65 11.87 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.26 109.911 -179.653 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.79 -37.34 81.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.4 109.372 -179.74 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.01 -36.37 77.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.342 -0.849 . . . . 2.09 109.429 179.769 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.494 HD11 HE22 ' D' ' 354' ' ' GLN . 20.4 tp -64.23 -43.39 95.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.292 -0.88 . . . . 0.75 109.458 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.23 86.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.395 -0.816 . . . . 2.19 109.021 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.05 -29.64 65.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.588 -0.695 . . . . 1.34 109.891 179.707 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.6 90.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.311 -0.868 . . . . 0.72 110.067 -179.267 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 3.4 mt-30 -83.89 -25.7 29.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 1.8 109.741 -179.854 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.76 -4.8 39.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.92 . . . . 1.39 109.692 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.68 -4.96 85.89 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.941 -1.264 . . . . 1.66 109.941 -179.452 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' C' ' 357' ' ' LYS . 0.0 OUTLIER -88.11 91.83 8.92 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.105 -1.233 . . . . 4.45 109.386 -179.967 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.03 152.71 5.31 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.232 -0.918 . . . . 6.19 109.443 179.859 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.4 135.95 60.72 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.172 1.915 . . . . 5.58 110.091 179.953 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 118.016 -1.436 . . . . 6.9 109.6 179.959 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.297 0.57 . . . . 7.36 109.473 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt 59.98 88.94 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 7.15 109.578 -179.991 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.82 73.79 0.71 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.239 -0.913 . . . . 6.5 109.528 179.876 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.12 -2.65 9.24 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.227 1.951 . . . . 4.5 110.693 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -81.24 102.87 10.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.027 -1.045 . . . . 4.32 109.594 179.982 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.456 ' HB2' ' CZ ' ' D' ' 327' ' ' TYR . 6.4 m-20 -81.09 -174.71 5.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.398 -0.814 . . . . 2.46 109.294 179.888 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.9 -175.78 11.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.323 -1.511 . . . . 0.97 109.323 179.731 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.0 136.46 57.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -1.168 . . . . 1.67 109.357 179.825 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HB2' ' D' ' 324' ' ' ASP . 69.7 m-85 -93.37 158.46 15.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.313 -0.867 . . . . 0.61 109.539 -179.969 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.92 -171.4 3.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.195 -0.941 . . . . 0.56 109.437 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 34.8 p -154.26 153.01 30.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.43 109.427 -179.87 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.8 tp -147.59 133.14 18.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.35 109.515 -179.855 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 21.5 tt0 -85.97 135.11 33.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 1.37 109.429 -179.941 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.667 HD13 ' HB2' ' D' ' 341' ' ' PHE . 35.9 mt -123.53 113.37 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.48 109.315 179.86 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.79 141.0 46.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.341 -0.849 . . . . 2.08 109.501 -179.957 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.5 139.83 10.47 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.765 -1.334 . . . . 0.4 109.765 179.856 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -75.45 -64.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -1.118 . . . . 2.64 109.458 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.32 -35.95 70.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.262 -0.899 . . . . 2.22 109.157 179.97 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.433 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.64 82.34 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.311 -0.868 . . . . 2.74 109.366 179.844 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' D' ' 332' ' ' ILE . 41.3 t80 -56.21 -55.75 29.41 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.438 -0.789 . . . . 0.43 109.579 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.86 -38.04 54.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.415 -0.803 . . . . 1.69 110.247 -179.651 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.096 -1.002 . . . . 0.43 110.296 -179.05 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.667 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.2 m-85 -61.84 -49.38 76.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.131 -0.98 . . . . 0.27 109.491 -179.632 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -51.38 -37.43 48.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 2.45 109.854 179.99 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.3 -51.21 70.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 1.75 109.884 -179.535 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' D' ' 344' ' ' LEU . 86.6 mt -60.82 -33.79 73.56 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.973 . . . . 0.31 108.99 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -59.33 -55.78 30.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.504 -0.748 . . . . 1.22 109.52 179.662 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.79 -28.13 69.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 1.73 109.897 -179.749 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -57.6 12.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.28 109.973 -179.673 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -37.34 81.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.31 109.333 -179.822 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.03 -36.32 77.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 1.91 109.484 179.77 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' D' ' 350' ' ' LEU . 20.5 tp -64.41 -43.3 94.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.43 109.415 -179.888 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.06 87.35 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.362 -0.836 . . . . 1.57 109.07 179.82 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.32 -29.62 66.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 1.44 109.799 179.775 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.73 90.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.64 109.991 -179.291 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.494 HE22 HD11 ' C' ' 350' ' ' LEU . 3.2 mt-30 -83.89 -25.64 30.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.085 -1.009 . . . . 1.21 109.744 -179.818 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.8 -4.84 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 1.22 109.691 179.779 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.68 -4.88 85.78 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.947 -1.261 . . . . 1.5 109.947 -179.553 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' D' ' 357' ' ' LYS . 0.0 OUTLIER -88.14 91.95 8.97 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.109 -1.23 . . . . 4.18 109.457 179.916 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.13 152.8 5.39 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 5.67 109.384 179.977 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.45 135.95 60.54 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.239 1.96 . . . . 5.65 110.106 179.902 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 118.056 -1.413 . . . . 7.27 109.575 179.987 . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.447 -0.575 . . . . 7.33 109.447 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 0.0 OUTLIER 60.22 68.75 0.74 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 7.21 109.447 -179.901 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.541 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.5 OUTLIER 42.8 59.15 11.11 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.752 . . . . 6.47 110.039 -179.857 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.5 Cg_endo -61.1 -174.28 0.11 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.22 1.947 . . . . 4.53 110.085 179.74 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.2 mt -80.36 107.24 12.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.187 -0.946 . . . . 4.35 109.1 179.838 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.1 105.66 13.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 2.48 109.888 -179.706 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.555 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -71.06 163.45 53.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.279 -1.529 . . . . 0.98 109.279 179.398 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.32 123.16 15.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.065 -1.256 . . . . 1.7 109.3 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 60.9 m-85 -95.19 152.14 18.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.16 -0.963 . . . . 0.61 109.66 -179.961 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.3 m-85 -141.23 -174.88 4.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -0.892 . . . . 0.58 109.495 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.2 p -152.09 158.91 43.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.42 109.36 -179.91 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.13 132.78 16.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.36 109.548 -179.65 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 15.8 tt0 -85.96 129.75 34.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 1.37 109.381 179.825 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.81 116.92 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.47 109.646 -179.956 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.28 148.94 40.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.883 . . . . 2.1 109.534 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.51 136.26 7.44 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.726 -1.35 . . . . 0.42 109.726 179.622 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 15.5 ttm180 -81.93 -52.11 7.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.417 -1.049 . . . . 2.68 109.704 179.931 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.16 -46.53 85.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.828 . . . . 2.22 109.576 -179.968 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.67 96.32 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.249 -0.907 . . . . 2.77 109.624 -179.693 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.3 t80 -55.22 -55.01 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.46 -0.775 . . . . 0.43 109.868 -179.61 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -51.21 -37.61 47.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.892 . . . . 1.66 110.011 -179.491 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.03 -48.33 79.23 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.21 -0.932 . . . . 0.44 110.357 -179.273 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.64 -49.14 78.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.29 109.392 -179.664 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.76 -43.39 62.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 2.44 109.829 -179.957 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.38 -40.75 91.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.267 -0.896 . . . . 1.74 109.998 -179.55 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' B' ' 344' ' ' LEU . 23.8 mt -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.137 -0.977 . . . . 0.3 109.42 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -58.21 -49.85 75.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 1.22 109.642 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 1.72 109.881 -179.656 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -55.78 29.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 0.27 110.105 -179.583 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.65 -39.11 87.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.863 . . . . 0.29 109.611 -179.535 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.82 -38.02 80.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.351 -0.843 . . . . 1.91 109.627 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.745 HD11 ' NE2' ' B' ' 354' ' ' GLN . 1.5 tt -64.8 -39.9 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.303 -0.873 . . . . 0.41 109.311 -179.732 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.703 ' HD3' HD12 ' B' ' 350' ' ' LEU . 0.7 OUTLIER -60.46 -48.02 83.59 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.609 -0.886 . . . . 1.56 108.609 179.521 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -29.88 64.82 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.731 -0.606 . . . . 1.43 109.372 179.423 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.45 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.447 -0.783 . . . . 0.66 109.57 -179.737 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.512 ' NE2' HD11 ' B' ' 350' ' ' LEU . 2.5 mt-30 -80.56 -45.65 17.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.18 109.331 179.746 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.96 -3.0 20.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 1.23 109.645 179.74 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.37 -60.44 4.75 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.672 -1.371 . . . . 1.54 109.672 -179.839 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -85.72 101.54 12.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -1.121 . . . . 4.18 109.53 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.39 152.02 4.83 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 5.71 109.575 -179.941 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.51 139.63 82.9 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.217 1.945 . . . . 5.61 110.204 179.9 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.0 -1.444 . . . . 7.24 109.513 -179.985 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.305 0.574 . . . . 7.34 109.46 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER 60.24 68.72 0.75 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.953 . . . . 7.17 109.45 -179.86 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.5 OUTLIER 42.75 59.15 11.04 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 6.44 109.994 -179.905 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.5 Cg_endo -61.09 -174.34 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.154 1.903 . . . . 4.54 110.125 179.667 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.19 107.21 12.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.199 -0.938 . . . . 4.32 109.158 179.81 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.12 106.09 13.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 2.47 109.794 -179.743 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.71 163.6 54.27 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.175 -1.57 . . . . 0.95 109.175 179.455 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.31 123.1 15.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -1.21 . . . . 1.61 109.334 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 61.1 m-85 -95.17 152.35 18.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -0.97 . . . . 0.57 109.587 -179.962 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.0 m-85 -141.36 -174.81 4.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.53 109.508 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.2 p -152.1 158.93 43.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.137 -0.977 . . . . 0.38 109.316 -179.831 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.18 132.81 16.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.176 -0.952 . . . . 0.36 109.644 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 15.9 tt0 -86.05 129.68 34.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.36 109.289 179.947 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.86 117.12 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -0.93 . . . . 0.49 109.578 179.991 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.52 148.96 40.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 2.1 109.444 179.873 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.45 136.07 7.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.765 -1.334 . . . . 0.44 109.765 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 15.7 ttm180 -81.78 -52.13 7.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.347 -1.09 . . . . 2.72 109.65 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.37 -46.22 86.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.21 109.642 -179.884 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.03 -41.61 96.89 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.302 -0.874 . . . . 2.79 109.609 -179.762 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.6 t80 -55.21 -55.11 35.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.421 -0.8 . . . . 0.45 109.883 -179.645 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -51.06 -37.63 46.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -0.856 . . . . 1.68 110.093 -179.551 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.12 -48.2 79.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.142 -0.974 . . . . 0.43 110.347 -179.263 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.76 -49.03 79.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.176 -0.952 . . . . 0.28 109.48 -179.644 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.77 -43.41 62.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.369 -0.832 . . . . 2.52 109.796 179.972 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.23 -40.89 91.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 1.75 110.006 -179.62 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 344' ' ' LEU . 24.0 mt -62.09 -43.92 97.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.306 -0.871 . . . . 0.31 109.448 -179.76 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.15 -49.8 75.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.357 -0.839 . . . . 1.21 109.764 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.5 -31.15 71.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.917 . . . . 1.69 109.914 -179.786 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -55.75 29.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.27 110.105 -179.666 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.69 -39.07 87.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.3 109.536 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.84 -37.91 80.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.328 -0.858 . . . . 1.93 109.689 179.922 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.748 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -64.85 -39.92 94.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.4 109.35 -179.807 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -48.09 83.24 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.576 -0.898 . . . . 1.59 108.576 179.539 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.91 64.75 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.335 -0.617 . . . . 1.43 109.335 179.457 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.37 74.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.65 109.51 -179.697 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.745 ' NE2' HD11 ' A' ' 350' ' ' LEU . 2.5 mt-30 -80.57 -45.7 16.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 1.19 109.324 179.787 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.98 -3.04 20.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 1.22 109.662 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.39 -60.36 4.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.637 -1.385 . . . . 1.53 109.637 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -85.85 101.47 12.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.321 -1.106 . . . . 4.21 109.5 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.28 152.19 4.48 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 5.68 109.604 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.62 139.57 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.284 1.989 . . . . 5.57 110.156 179.885 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.951 -1.472 . . . . 7.2 109.58 179.913 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.548 -0.538 . . . . 8.96 109.548 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 0.0 OUTLIER 60.18 68.67 0.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.195 -0.941 . . . . 8.15 109.432 -179.913 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.5 OUTLIER 42.95 59.01 11.44 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.558 -0.714 . . . . 7.15 110.069 -179.951 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.5 Cg_endo -61.13 -174.31 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.137 1.891 . . . . 4.35 110.131 179.805 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 21.9 mt -80.24 107.28 12.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 4.63 109.24 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.15 105.9 13.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.474 -0.766 . . . . 2.85 109.867 -179.646 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.546 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.3 163.61 54.05 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.167 -1.573 . . . . 1.12 109.167 179.495 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.5 123.16 15.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -1.219 . . . . 2.11 109.316 179.833 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 61.2 m-85 -95.2 152.44 18.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.154 -0.966 . . . . 0.64 109.541 -179.904 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -141.38 -174.88 4.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.2 -0.938 . . . . 0.49 109.475 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.515 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.1 p -152.11 159.01 43.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.47 109.307 -179.908 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.26 132.74 16.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.256 -0.902 . . . . 0.42 109.561 -179.684 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -85.96 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 1.81 109.397 179.824 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.85 117.04 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.167 -0.958 . . . . 0.42 109.561 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.37 148.93 40.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 2.35 109.494 179.778 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.44 7.51 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.7 -1.36 . . . . 0.41 109.7 179.658 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 15.5 ttm180 -82.16 -52.07 7.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -1.133 . . . . 2.59 109.656 179.928 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.32 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.895 . . . . 2.54 109.592 -179.942 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.255 -0.903 . . . . 3.39 109.738 -179.8 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.3 t80 -55.25 -55.02 36.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.745 . . . . 0.47 109.913 -179.634 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.06 -37.66 46.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.246 -0.909 . . . . 1.66 110.029 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.19 -48.27 79.05 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.179 -0.951 . . . . 0.61 110.269 -179.147 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.67 -49.09 78.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.33 109.448 -179.637 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.55 -43.6 62.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.374 -0.829 . . . . 3.28 109.841 179.931 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.22 -40.89 91.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -0.907 . . . . 1.78 109.966 -179.464 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' D' ' 344' ' ' LEU . 23.6 mt -62.13 -43.83 97.97 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.26 -0.9 . . . . 0.38 109.455 -179.726 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 1.2 109.671 179.975 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.43 -31.32 72.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.303 -0.873 . . . . 2.12 109.858 -179.68 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.2 -0.937 . . . . 0.26 110.085 -179.581 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.64 -39.12 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.319 -0.863 . . . . 0.4 109.581 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.78 -38.07 80.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.26 -0.9 . . . . 2.09 109.676 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.729 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.71 -39.97 94.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.226 -0.922 . . . . 0.75 109.367 -179.777 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.11 83.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 2.19 108.644 179.497 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -29.88 64.63 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.407 0.622 . . . . 1.34 109.373 179.395 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.34 73.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.72 109.491 -179.615 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' D' ' 350' ' ' LEU . 2.5 mt-30 -80.64 -45.6 17.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.8 109.314 179.812 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.07 -2.98 20.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.331 -0.856 . . . . 1.39 109.624 179.761 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.36 -60.4 4.77 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.659 -1.376 . . . . 1.66 109.659 -179.837 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -85.73 101.44 12.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -1.178 . . . . 4.45 109.467 -179.889 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.34 152.12 4.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.312 -0.867 . . . . 6.19 109.592 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.6 139.63 82.39 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.142 1.894 . . . . 5.58 110.167 179.908 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.976 -1.458 . . . . 6.9 109.524 179.976 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.538 -0.542 . . . . 7.36 109.538 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER 60.27 68.68 0.75 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.239 -0.913 . . . . 7.15 109.401 -179.885 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.5 OUTLIER 42.85 59.13 11.21 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.55 -0.719 . . . . 6.5 109.967 -179.965 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.5 Cg_endo -61.1 -174.35 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.192 1.928 . . . . 4.5 110.111 179.678 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.23 107.21 12.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.938 . . . . 4.32 109.22 179.784 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.14 105.9 13.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 2.46 109.91 -179.715 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.543 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.35 163.56 54.09 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.248 -1.541 . . . . 0.97 109.248 179.487 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -59.46 123.14 15.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.12 -1.223 . . . . 1.67 109.328 179.856 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 61.3 m-85 -95.13 152.26 18.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.984 . . . . 0.61 109.564 -179.906 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -141.32 -174.85 4.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.872 . . . . 0.56 109.402 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.9 p -152.13 158.88 43.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -0.934 . . . . 0.43 109.265 -179.849 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -149.11 132.83 16.89 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.35 109.656 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 15.8 tt0 -86.06 129.92 34.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 1.37 109.332 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.1 mt -123.88 116.88 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.142 -0.974 . . . . 0.48 109.594 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.21 149.04 41.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.349 -0.844 . . . . 2.08 109.529 179.712 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.32 136.31 7.37 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.801 -1.32 . . . . 0.4 109.801 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 15.6 ttm180 -82.04 -52.08 7.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.256 -1.144 . . . . 2.64 109.584 179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.32 -46.44 86.18 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.935 . . . . 2.22 109.567 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.62 96.23 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.259 -0.9 . . . . 2.74 109.7 -179.747 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -55.11 -55.09 34.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.413 -0.804 . . . . 0.43 109.911 -179.693 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.16 -37.65 47.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 1.69 110.022 -179.502 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.07 -48.32 79.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.134 -0.979 . . . . 0.43 110.263 -179.215 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.75 -48.91 79.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.122 -0.986 . . . . 0.27 109.5 -179.594 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -51.81 -43.46 63.11 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.401 -0.812 . . . . 2.45 109.817 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.24 -40.88 91.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.75 109.957 -179.577 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' C' ' 344' ' ' LEU . 23.8 mt -62.15 -43.8 98.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.221 -0.924 . . . . 0.31 109.44 -179.759 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.17 -49.93 75.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 1.22 109.648 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.39 -31.23 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.835 . . . . 1.73 109.921 -179.727 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.48 -55.71 30.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.28 110.036 -179.558 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.62 -39.16 87.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.31 109.61 -179.548 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.82 -37.98 80.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 1.91 109.654 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.726 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.78 -39.9 94.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 0.43 109.301 -179.71 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.618 ' HD3' HD12 ' C' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.15 82.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.57 108.659 179.487 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -29.86 64.77 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.701 -0.625 . . . . 1.44 109.356 179.452 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.34 73.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.64 109.548 -179.718 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' C' ' 350' ' ' LEU . 2.5 mt-30 -80.56 -45.62 17.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.21 109.364 179.723 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.88 20.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 1.22 109.64 179.75 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.34 -60.49 4.73 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.655 -1.378 . . . . 1.5 109.655 -179.886 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -85.72 101.38 12.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -1.179 . . . . 4.18 109.505 -179.91 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.31 152.06 4.65 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.352 -0.843 . . . . 5.67 109.621 -179.941 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.55 139.53 82.06 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.292 1.994 . . . . 5.65 110.208 179.924 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.931 -1.483 . . . . 7.27 109.496 -179.998 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.215 0.531 . . . . 7.33 109.591 . . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 56.9 -92.45 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 7.21 109.16 -179.954 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.537 ' CB ' HD23 ' A' ' 323' ' ' LEU . 74.2 mttt 58.29 164.19 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 6.47 109.612 179.761 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 321' ' ' LYS . 6.5 Cg_endo -74.71 39.37 0.56 Allowed 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.889 2.393 . . . . 4.53 111.376 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.537 HD23 ' CB ' ' A' ' 321' ' ' LYS . 4.2 mm? -81.06 -2.07 46.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.663 -1.273 . . . . 4.35 109.548 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.31 -167.14 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 2.48 109.428 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 163.76 50.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.468 -1.453 . . . . 0.98 109.468 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 328' ' ' PHE . 37.5 mt-10 -58.64 139.3 56.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -1.131 . . . . 1.7 109.415 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 17.9 m-85 -95.07 150.13 20.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.61 109.65 -179.905 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 58.6 m-85 -140.65 138.49 34.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 0.58 109.091 179.245 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.27 170.99 9.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.42 109.904 -179.536 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.2 tp -149.83 131.03 14.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.43 -0.794 . . . . 0.36 109.412 179.774 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.65 124.16 32.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.177 -0.952 . . . . 1.37 109.561 -179.842 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.488 HG21 ' HD2' ' A' ' 341' ' ' PHE . 25.4 mt -124.16 113.9 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.47 109.612 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 0.2 OUTLIER -73.57 148.17 43.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 2.1 109.621 179.709 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.02 134.53 7.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.928 -1.269 . . . . 0.42 109.928 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -83.54 -51.5 7.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.309 -1.112 . . . . 2.68 109.354 179.81 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.46 85.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 2.22 109.221 179.823 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.75 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.28 86.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.236 -0.915 . . . . 2.77 109.181 179.796 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' C' ' 330' ' ' LEU . 27.1 t80 -53.95 -52.93 59.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.418 -0.801 . . . . 0.43 109.194 179.883 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -51.77 -35.39 43.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 1.66 109.802 -179.8 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.219 -0.926 . . . . 0.44 109.971 -179.391 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.488 ' HD2' HG21 ' A' ' 332' ' ' ILE . 18.5 m-85 -60.7 -47.21 87.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.29 109.364 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.3 62.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 2.44 109.852 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.1 -48.61 81.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.184 -0.948 . . . . 1.74 109.831 -179.489 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' B' ' 344' ' ' LEU . 74.2 mt -61.37 -33.67 74.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.17 -0.956 . . . . 0.3 109.164 -179.888 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -59.94 -57.37 13.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 1.22 109.453 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -29.01 70.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 1.72 109.873 -179.55 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -57.03 13.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.27 109.885 -179.546 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.786 HD13 ' NH1' ' C' ' 337' ' ' ARG . 15.8 mt -61.17 -41.16 96.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -0.886 . . . . 0.29 109.595 -179.465 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.59 -37.61 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 1.91 109.813 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -65.19 -40.88 94.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.41 109.24 -179.752 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.76 -46.96 87.34 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.673 0.749 . . . . 1.56 109.217 179.719 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -31.43 61.65 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.562 -0.711 . . . . 1.43 109.6 179.937 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.62 90.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.66 109.345 -179.936 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -81.7 -3.09 52.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.18 109.473 179.599 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.82 2.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.286 -0.884 . . . . 1.23 109.545 -179.912 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.18 62.7 4.54 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.478 -1.449 . . . . 1.54 109.478 -179.872 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.72 139.15 31.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.226 -1.161 . . . . 4.18 109.486 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.54 116.86 6.38 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.316 -0.865 . . . . 5.71 109.561 -179.818 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.65 129.47 31.04 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.938 1.758 . . . . 5.61 110.32 179.995 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.033 -1.426 . . . . 7.24 109.564 179.919 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.47 -0.567 . . . . 7.34 109.47 . . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' B' ' 321' ' ' LYS . 2.4 mmtp 56.84 -92.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 7.17 109.185 -179.826 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.537 ' CB ' HD23 ' B' ' 323' ' ' LEU . 74.3 mttt 58.25 164.08 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 6.44 109.711 179.795 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' B' ' 321' ' ' LYS . 6.5 Cg_endo -74.65 39.28 0.55 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.892 2.395 . . . . 4.54 111.407 179.573 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.537 HD23 ' CB ' ' B' ' 321' ' ' LYS . 4.2 mm? -80.93 -2.11 46.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 4.32 109.644 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -79.26 -167.08 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 2.47 109.484 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 163.7 50.9 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.467 -1.453 . . . . 0.95 109.467 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.407 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 37.4 mt-10 -58.72 139.29 56.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -1.175 . . . . 1.61 109.445 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.51 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 17.8 m-85 -94.97 150.2 20.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.169 -0.957 . . . . 0.57 109.639 -179.863 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 59.1 m-85 -140.79 138.36 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.53 109.058 179.293 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -91.26 171.17 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.38 109.961 -179.511 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.92 130.98 14.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.416 -0.802 . . . . 0.36 109.339 179.882 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.6 124.17 32.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 1.36 109.609 -179.932 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.489 HG21 ' HD2' ' B' ' 341' ' ' PHE . 25.7 mt -124.2 114.07 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.194 -0.941 . . . . 0.49 109.584 179.877 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -73.67 148.25 42.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 2.1 109.593 179.789 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.96 134.6 7.32 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.595 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -83.63 -51.46 7.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.143 . . . . 2.72 109.41 179.704 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.4 85.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 2.21 109.218 179.791 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.709 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -61.61 -38.27 86.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.256 -0.903 . . . . 2.79 109.136 179.899 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.89 -52.98 58.76 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.427 -0.796 . . . . 0.45 109.197 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.75 -35.5 43.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.321 -0.862 . . . . 1.68 109.698 -179.763 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.63 74.25 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.207 -0.933 . . . . 0.43 109.97 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.489 ' HD2' HG21 ' B' ' 332' ' ' ILE . 18.7 m-85 -60.59 -47.24 87.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.114 -0.991 . . . . 0.28 109.352 -179.955 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.31 62.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.8 . . . . 2.52 109.832 -179.956 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -48.37 82.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 1.75 109.904 -179.499 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' A' ' 344' ' ' LEU . 74.3 mt -61.48 -33.67 74.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.31 109.12 -179.93 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.99 -57.45 12.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.382 -0.824 . . . . 1.21 109.491 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -29.0 70.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.418 -0.801 . . . . 1.69 110.024 -179.664 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.93 14.1 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.252 -0.905 . . . . 0.27 109.969 -179.611 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.702 HD13 ' NH1' ' D' ' 337' ' ' ARG . 15.5 mt -61.19 -41.13 96.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.276 -0.89 . . . . 0.3 109.622 -179.513 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.67 79.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.93 109.762 -179.824 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.719 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.19 -40.95 94.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.337 -0.852 . . . . 0.4 109.277 -179.683 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -46.67 88.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.474 -0.767 . . . . 1.59 109.199 179.738 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -31.43 61.93 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.523 -0.736 . . . . 1.43 109.637 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.59 90.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.65 109.329 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.612 ' OE1' HD11 ' A' ' 350' ' ' LEU . 67.9 mt-30 -81.76 -3.11 52.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.383 -0.823 . . . . 1.19 109.487 179.635 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.61 -60.68 2.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 1.22 109.669 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.19 62.63 4.55 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.477 -1.449 . . . . 1.53 109.477 -179.869 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 139.18 31.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.305 -1.115 . . . . 4.21 109.363 -179.8 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.64 116.85 6.46 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.877 . . . . 5.68 109.587 -179.84 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.62 129.42 30.86 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.974 1.782 . . . . 5.57 110.317 -179.996 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 118.049 -1.417 . . . . 7.2 109.567 179.936 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.512 -0.551 . . . . 8.96 109.512 . . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 56.81 -92.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.927 . . . . 8.15 109.214 -179.873 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.539 ' CB ' HD23 ' C' ' 323' ' ' LEU . 74.1 mttt 58.39 164.02 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.182 -0.949 . . . . 7.15 109.61 179.66 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' C' ' 321' ' ' LYS . 6.6 Cg_endo -74.59 39.21 0.55 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 122.848 2.365 . . . . 4.35 111.487 179.525 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.539 HD23 ' CB ' ' C' ' 321' ' ' LYS . 4.2 mm? -80.86 -2.08 45.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.713 -1.242 . . . . 4.63 109.623 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -79.39 -167.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.267 -0.896 . . . . 2.85 109.379 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.25 163.77 50.86 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.418 -1.473 . . . . 1.12 109.418 179.943 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.405 ' HB2' ' CZ ' ' C' ' 328' ' ' PHE . 37.5 mt-10 -58.62 139.27 56.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.214 -1.168 . . . . 2.11 109.371 179.934 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 18.1 m-85 -95.05 150.15 20.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.64 109.708 -179.956 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 59.6 m-85 -140.62 138.59 34.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.49 109.017 179.234 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.36 171.04 9.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.468 -0.77 . . . . 0.47 109.937 -179.5 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 338' ' ' PHE . 16.3 tp -149.81 131.01 14.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 0.42 109.388 179.785 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.57 124.14 32.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 1.81 109.692 -179.994 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.5 HG21 ' HD2' ' C' ' 341' ' ' PHE . 25.5 mt -124.09 114.01 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.913 . . . . 0.42 109.685 179.88 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.529 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -73.61 148.16 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 2.35 109.537 179.846 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.93 134.63 7.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.896 -1.282 . . . . 0.41 109.896 179.623 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -83.67 -51.41 7.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.59 109.353 179.788 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -58.2 -46.41 85.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 2.54 109.181 179.849 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.786 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.21 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.244 -0.91 . . . . 3.39 109.255 179.762 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.08 -52.88 59.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.457 -0.777 . . . . 0.47 109.116 179.899 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.76 -35.5 43.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.384 -0.823 . . . . 1.66 109.731 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.6 74.38 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.22 -0.925 . . . . 0.61 110.002 -179.45 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.5 ' HD2' HG21 ' C' ' 332' ' ' ILE . 18.6 m-85 -60.62 -47.18 87.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.33 109.331 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.04 -41.35 62.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.393 -0.817 . . . . 3.28 109.812 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.08 -48.56 81.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.969 . . . . 1.78 109.87 -179.547 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.4 -33.69 74.11 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.928 . . . . 0.38 109.109 -179.851 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.01 -57.51 12.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.409 -0.807 . . . . 1.2 109.371 179.712 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -29.03 70.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.32 -0.863 . . . . 2.12 109.972 -179.668 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.85 -57.05 13.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.26 110.021 -179.592 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.75 HD13 ' NH1' ' A' ' 337' ' ' ARG . 15.6 mt -61.09 -41.23 96.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.331 -0.855 . . . . 0.4 109.623 -179.527 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.56 79.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 2.09 109.796 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.3 -40.87 94.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 0.75 109.21 -179.696 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.6 OUTLIER -61.81 -46.86 87.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 2.19 109.145 179.761 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -31.42 61.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.552 -0.718 . . . . 1.34 109.586 179.923 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.63 90.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.72 109.31 -179.995 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.501 ' OE1' HD11 ' D' ' 350' ' ' LEU . 68.1 mt-30 -81.81 -3.11 53.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.236 -0.915 . . . . 1.8 109.42 179.705 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.63 -60.72 2.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.168 -0.958 . . . . 1.39 109.649 179.99 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.13 62.78 4.53 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.525 -1.43 . . . . 1.66 109.525 -179.974 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.82 139.2 31.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.269 -1.136 . . . . 4.45 109.383 -179.892 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.71 116.86 6.55 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.219 -0.926 . . . . 6.19 109.561 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.64 129.36 30.55 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.026 1.817 . . . . 5.58 110.385 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.031 -1.427 . . . . 6.9 109.563 -179.985 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.47 -0.567 . . . . 7.36 109.47 . . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 321' ' ' LYS . 2.4 mmtp 56.87 -92.46 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 7.15 109.251 -179.889 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.535 ' CB ' HD23 ' D' ' 323' ' ' LEU . 74.3 mttt 58.4 164.01 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 6.5 109.593 179.666 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' D' ' 321' ' ' LYS . 6.6 Cg_endo -74.63 39.26 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 122.853 2.369 . . . . 4.5 111.507 179.466 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' D' ' 321' ' ' LYS . 4.2 mm? -80.84 -2.04 45.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.653 -1.279 . . . . 4.32 109.731 179.836 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -79.38 -167.1 1.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 2.46 109.393 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.18 163.76 50.75 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.46 -1.456 . . . . 0.97 109.46 179.872 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' D' ' 328' ' ' PHE . 37.4 mt-10 -58.65 139.22 56.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.179 -1.189 . . . . 1.67 109.398 179.948 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 17.9 m-85 -94.93 150.13 20.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.324 -0.86 . . . . 0.61 109.711 -179.941 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 58.6 m-85 -140.67 138.64 34.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.23 -0.919 . . . . 0.56 109.071 179.241 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.53 171.1 9.41 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.426 -0.796 . . . . 0.43 109.885 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.82 130.99 14.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.35 109.418 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.64 124.2 32.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.322 -0.861 . . . . 1.37 109.549 -179.945 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' D' ' 341' ' ' PHE . 25.7 mt -124.18 113.77 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.265 -0.897 . . . . 0.48 109.706 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.2 OUTLIER -73.43 148.17 43.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 2.08 109.743 179.747 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.1 134.61 7.38 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.811 -1.316 . . . . 0.4 109.811 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -83.62 -51.51 7.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -1.084 . . . . 2.64 109.378 179.703 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.04 -46.47 85.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 2.22 109.298 179.772 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.702 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -61.49 -38.19 86.41 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.313 -0.867 . . . . 2.74 109.226 179.753 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.03 -53.01 58.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.46 -0.775 . . . . 0.43 109.094 179.924 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -51.63 -35.55 42.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.923 . . . . 1.69 109.759 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.73 -49.57 74.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.179 -0.951 . . . . 0.43 110.083 -179.452 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.499 ' HD2' HG21 ' D' ' 332' ' ' ILE . 18.6 m-85 -60.65 -47.22 87.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.27 109.405 179.893 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.93 -41.43 62.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.419 -0.801 . . . . 2.45 109.87 179.94 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.121 -0.987 . . . . 1.75 109.906 -179.565 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.48 -33.69 74.2 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.128 -0.982 . . . . 0.31 109.066 -179.884 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.07 -57.41 12.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.34 -0.85 . . . . 1.22 109.408 179.692 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.93 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.425 -0.797 . . . . 1.73 109.987 -179.72 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -57.05 13.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.28 109.945 -179.576 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.709 HD13 ' NH1' ' B' ' 337' ' ' ARG . 15.6 mt -61.18 -41.11 96.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.27 -0.894 . . . . 0.31 109.587 -179.53 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -59.65 -37.58 79.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.91 109.8 -179.833 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.29 -40.74 94.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.43 109.275 -179.689 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.503 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.85 -46.86 87.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.523 -0.736 . . . . 1.57 109.183 179.682 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -31.36 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.557 -0.714 . . . . 1.44 109.582 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.63 90.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.64 109.28 179.968 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' C' ' 350' ' ' LEU . 68.0 mt-30 -81.72 -3.21 53.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.838 . . . . 1.21 109.446 179.734 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.65 -60.79 2.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 1.22 109.555 -179.885 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.0 62.64 4.56 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.528 -1.429 . . . . 1.5 109.528 -179.924 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 139.12 31.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -1.176 . . . . 4.18 109.431 -179.882 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.6 116.79 6.36 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 5.67 109.559 -179.813 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.6 129.45 31.04 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.978 1.786 . . . . 5.65 110.379 179.959 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.989 -1.45 . . . . 7.27 109.545 179.962 . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.434 -0.58 . . . . 7.33 109.434 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.71 36.7 10.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.193 -0.942 . . . . 7.21 109.399 -179.801 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 47.9 mttt 58.7 61.99 4.67 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 6.47 109.811 179.892 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -63.8 164.74 20.55 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.22 1.946 . . . . 4.53 110.014 179.764 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 323' ' ' LEU . 82.1 mt -80.31 103.84 10.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 4.35 109.246 179.663 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.46 116.29 21.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.394 -0.816 . . . . 2.48 109.882 -179.671 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.591 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.95 172.09 37.56 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.89 -1.684 . . . . 0.98 108.89 179.509 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -62.05 121.88 14.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.297 . . . . 1.7 109.802 179.964 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 44.4 m-85 -97.74 155.04 17.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.61 109.734 179.762 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.65 -171.81 3.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.873 . . . . 0.58 109.366 179.798 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.479 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 61.9 p -152.6 160.47 43.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.117 -0.989 . . . . 0.42 109.432 -179.778 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.14 134.28 18.22 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.316 -0.865 . . . . 0.36 109.501 -179.69 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -85.88 128.33 34.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.37 109.31 179.92 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.6 mt -123.89 111.75 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.47 109.542 -179.937 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.32 153.79 40.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.228 -0.92 . . . . 2.1 109.429 179.773 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 126.14 2.62 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.586 -1.406 . . . . 0.42 109.586 179.853 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.4 OUTLIER -72.54 -52.51 15.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -1.06 . . . . 2.68 109.777 -179.924 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.74 -47.76 81.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 2.22 109.738 -179.669 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.63 -40.5 92.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.243 -0.911 . . . . 2.77 109.602 -179.742 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.6 t80 -54.92 -55.83 26.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.43 109.795 -179.686 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -51.6 -37.17 48.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.332 -0.855 . . . . 1.66 110.119 -179.56 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -62.68 -46.21 89.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.095 -1.003 . . . . 0.44 110.029 -179.374 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.1 m-85 -61.21 -52.05 66.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.29 109.437 -179.721 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 2.44 109.845 -179.888 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.84 -50.53 73.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 1.74 109.892 -179.616 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -60.87 -33.59 73.31 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.3 109.035 179.881 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.521 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.2 t-20 -59.0 -55.18 38.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.22 109.586 179.6 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.16 -27.99 69.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.433 -0.792 . . . . 1.72 110.0 -179.727 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.03 -56.1 25.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.27 110.235 -179.448 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' A' ' 351' ' ' LYS . 45.0 mt -60.51 -41.96 95.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.29 109.73 -179.428 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.11 -36.86 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 1.91 109.48 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.63 -39.69 91.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.41 109.499 -179.905 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -61.45 -45.83 92.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.507 -0.745 . . . . 1.56 109.045 179.942 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -59.44 -34.01 71.97 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.496 -0.752 . . . . 1.43 109.654 179.65 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.81 66.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.66 109.478 -179.779 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.627 ' OE1' HD21 ' B' ' 350' ' ' LEU . 1.3 mt-30 -81.88 -57.19 3.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 1.18 109.424 179.816 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -5.03 30.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.269 -0.895 . . . . 1.23 109.797 179.94 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 0.81 88.51 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.923 -1.271 . . . . 1.54 109.923 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 97.24 10.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.145 -1.209 . . . . 4.18 109.53 179.945 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.463 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 15.7 pt-20 -51.97 158.36 1.77 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.395 -0.816 . . . . 5.71 109.688 179.94 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 3.0 Cg_exo -61.06 155.3 51.33 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.28 1.986 . . . . 5.61 110.25 179.723 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.015 -1.436 . . . . 7.24 109.541 179.954 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.481 -0.563 . . . . 7.34 109.481 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 5.6 tttt 63.52 36.75 10.95 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 7.17 109.433 -179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.501 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 48.0 mttt 58.82 61.96 4.57 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.258 -0.901 . . . . 6.44 109.729 179.755 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.8 Cg_endo -63.91 164.89 20.35 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.09 1.86 . . . . 4.54 110.056 179.821 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' B' ' 323' ' ' LEU . 81.9 mt -80.49 103.83 10.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 4.32 109.16 179.743 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.38 116.21 21.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 2.47 109.902 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.579 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.72 172.25 36.38 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.898 -1.681 . . . . 0.95 108.898 179.386 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.45 122.0 14.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.877 -1.367 . . . . 1.61 109.742 -179.986 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 44.7 m-85 -97.78 155.08 17.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.57 109.683 179.821 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -140.77 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.376 -0.828 . . . . 0.53 109.351 179.924 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 61.5 p -152.69 160.48 43.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.38 109.345 -179.852 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.4 tp -149.07 134.28 18.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.891 . . . . 0.36 109.481 -179.665 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.78 128.25 34.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.36 109.385 179.872 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' B' ' 341' ' ' PHE . 52.3 mt -123.87 111.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 0.49 109.563 -179.906 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 154.05 40.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -0.893 . . . . 2.1 109.453 179.766 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.47 126.25 2.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.676 -1.369 . . . . 0.44 109.676 179.899 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.4 OUTLIER -72.73 -52.4 15.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.346 -1.091 . . . . 2.72 109.753 -179.849 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.85 -47.76 81.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 2.21 109.755 -179.696 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -60.5 -40.49 91.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.288 -0.883 . . . . 2.79 109.686 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.7 t80 -54.97 -55.73 27.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.443 -0.785 . . . . 0.45 109.821 -179.695 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -51.69 -37.09 49.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 1.68 110.076 -179.569 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.87 -45.99 89.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.115 -0.991 . . . . 0.43 110.123 -179.37 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.8 m-85 -61.35 -52.0 66.47 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.117 -0.989 . . . . 0.28 109.43 -179.81 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -51.09 -37.08 43.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.354 -0.841 . . . . 2.52 109.84 -179.966 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.76 -50.53 73.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 1.75 109.869 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' A' ' 344' ' ' LEU . 73.3 mt -60.83 -33.64 73.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.16 -0.962 . . . . 0.31 109.044 179.824 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.2 t-20 -58.86 -55.4 35.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.511 -0.743 . . . . 1.21 109.566 179.619 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.07 -27.93 69.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.419 -0.801 . . . . 1.69 110.092 -179.702 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.05 -56.05 25.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.185 -0.947 . . . . 0.27 110.273 -179.513 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.441 HD23 ' NZ ' ' B' ' 351' ' ' LYS . 44.6 mt -60.5 -42.11 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.945 . . . . 0.3 109.65 -179.436 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.04 -36.8 75.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.957 . . . . 1.93 109.518 179.927 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.78 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.72 -39.62 91.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.335 -0.853 . . . . 0.4 109.52 -179.959 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.441 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -61.58 -45.74 92.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.415 -0.803 . . . . 1.59 108.998 179.996 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -59.58 -33.91 72.04 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.719 . . . . 1.43 109.629 179.626 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -25.76 66.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.925 . . . . 0.65 109.506 -179.83 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.636 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.4 mt-30 -81.78 -57.21 3.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.233 -0.917 . . . . 1.19 109.466 179.818 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -4.89 30.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.346 -0.847 . . . . 1.22 109.742 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.33 0.74 88.67 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.864 -1.295 . . . . 1.53 109.864 -179.822 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.92 97.17 10.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -1.184 . . . . 4.21 109.562 179.989 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.465 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 15.7 pt-20 -51.98 158.47 1.73 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 5.68 109.687 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -61.27 155.36 52.07 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.253 1.969 . . . . 5.57 110.133 179.839 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 118.004 -1.442 . . . . 7.2 109.566 179.955 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.527 -0.545 . . . . 8.96 109.527 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.65 36.72 10.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.924 . . . . 8.15 109.425 -179.836 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 48.0 mttt 58.83 61.92 4.59 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 7.15 109.749 179.816 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.7 Cg_endo -63.76 164.78 20.31 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.125 1.883 . . . . 4.35 110.058 179.748 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 323' ' ' LEU . 82.2 mt -80.33 103.75 10.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.139 -0.975 . . . . 4.63 109.236 179.648 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.39 116.19 21.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 2.85 109.983 -179.733 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.77 172.36 36.36 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.99 -1.644 . . . . 1.12 108.99 179.465 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.48 122.04 14.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.939 -1.33 . . . . 2.11 109.688 -179.894 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 44.4 m-85 -97.8 154.99 17.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.64 109.685 179.834 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.6 m-85 -140.68 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.333 -0.854 . . . . 0.49 109.395 179.833 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.507 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 60.7 p -152.61 160.44 43.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.98 . . . . 0.47 109.414 -179.773 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.05 134.27 18.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.42 109.478 -179.64 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.94 128.33 34.82 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.883 . . . . 1.81 109.318 179.886 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 341' ' ' PHE . 52.6 mt -123.83 111.85 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.42 109.617 -179.963 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 153.88 40.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 2.35 109.271 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.67 126.35 2.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.67 -1.372 . . . . 0.41 109.67 179.849 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.4 OUTLIER -72.87 -52.46 14.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -1.163 . . . . 2.59 109.746 -179.896 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.9 -47.51 82.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 2.54 109.756 -179.688 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 5.9 ttm180 -60.6 -40.67 92.64 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -0.907 . . . . 3.39 109.632 -179.861 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.5 t80 -54.84 -55.83 26.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.888 . . . . 0.47 109.819 -179.697 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -51.76 -37.03 49.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.383 -0.823 . . . . 1.66 110.094 -179.519 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.17 89.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.111 -0.993 . . . . 0.61 110.017 -179.394 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -52.12 66.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.208 -0.933 . . . . 0.33 109.445 -179.796 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.11 -37.04 43.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 3.28 109.834 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.77 -50.54 73.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.121 -0.987 . . . . 1.78 109.81 -179.506 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' D' ' 344' ' ' LEU . 73.1 mt -60.83 -33.64 73.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.155 -0.966 . . . . 0.38 108.991 179.926 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.3 t-20 -58.92 -55.28 37.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 1.2 109.504 179.682 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.12 -28.0 69.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.353 -0.842 . . . . 2.12 110.039 -179.658 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.09 -56.03 25.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.129 -0.982 . . . . 0.26 110.213 -179.452 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.454 HD23 ' NZ ' ' C' ' 351' ' ' LYS . 44.6 mt -60.65 -42.01 96.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.4 109.644 -179.365 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.03 -36.86 75.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.09 109.48 179.859 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.77 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -65.69 -39.66 91.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.75 109.43 -179.84 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -61.59 -45.68 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 2.19 109.083 179.986 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.532 -0.73 . . . . 1.34 109.638 179.581 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.85 66.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.72 109.4 -179.775 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.433 ' OE1' HD21 ' D' ' 350' ' ' LEU . 1.4 mt-30 -81.78 -57.22 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 1.8 109.435 179.819 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.75 -4.91 30.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 1.39 109.783 -179.946 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.37 0.83 88.64 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.889 -1.285 . . . . 1.66 109.889 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 97.07 10.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -1.204 . . . . 4.45 109.504 -179.977 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.466 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 15.7 pt-20 -52.01 158.39 1.78 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.87 . . . . 6.19 109.645 -179.988 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 3.0 Cg_exo -61.17 155.3 51.9 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.16 1.907 . . . . 5.58 110.18 179.814 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.011 -1.438 . . . . 6.9 109.554 179.956 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.562 -0.532 . . . . 7.36 109.562 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.49 36.87 10.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.223 -0.923 . . . . 7.15 109.407 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 47.9 mttt 58.73 61.97 4.66 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 6.5 109.788 179.802 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.8 Cg_endo -63.88 164.74 20.77 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.199 1.933 . . . . 4.5 110.042 179.789 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' D' ' 323' ' ' LEU . 81.9 mt -80.24 103.83 10.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.111 -0.993 . . . . 4.32 109.183 179.719 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.54 116.36 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 2.46 109.84 -179.714 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.58 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.94 172.23 37.22 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 108.908 -1.677 . . . . 0.97 108.908 179.474 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.35 121.98 14.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.073 -1.251 . . . . 1.67 109.682 -179.881 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 44.5 m-85 -97.77 155.14 17.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.61 109.724 179.791 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.0 m-85 -140.74 -171.77 3.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -0.824 . . . . 0.56 109.381 179.903 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 62.8 p -152.69 160.51 43.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.159 -0.963 . . . . 0.43 109.361 -179.821 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.4 tp -149.16 134.23 18.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.891 . . . . 0.35 109.491 -179.672 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 13.9 tt0 -85.86 128.19 34.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 1.37 109.317 179.936 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.81 111.64 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.48 109.625 -179.934 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 153.98 40.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 2.08 109.428 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.54 126.26 2.59 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.638 -1.385 . . . . 0.4 109.638 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.4 OUTLIER -72.67 -52.43 15.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.085 . . . . 2.64 109.792 -179.927 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.84 -47.82 81.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.22 109.69 -179.675 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.45 -40.65 91.94 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.349 -0.844 . . . . 2.74 109.613 -179.781 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -54.8 -55.81 26.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.37 -0.831 . . . . 0.43 109.875 -179.722 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.74 -37.1 49.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 1.69 110.074 -179.554 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.12 89.53 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.078 -1.013 . . . . 0.43 110.101 -179.399 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.24 -52.05 66.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.27 109.411 -179.807 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -51.22 -36.97 44.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 2.45 109.782 -179.839 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.74 -50.52 73.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 1.75 109.866 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' C' ' 344' ' ' LEU . 73.0 mt -60.92 -33.59 73.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.209 -0.932 . . . . 0.31 108.963 179.902 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.3 t-20 -58.97 -55.26 37.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.365 -0.834 . . . . 1.22 109.544 179.696 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.24 -27.85 69.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 1.73 109.995 -179.646 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.24 -55.96 26.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.921 . . . . 0.28 110.261 -179.478 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 44.7 mt -60.5 -42.08 95.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.31 109.701 -179.531 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.0 -36.81 75.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.254 -0.904 . . . . 1.91 109.553 179.848 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.767 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -65.71 -39.67 91.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.289 -0.882 . . . . 0.43 109.501 -179.883 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.58 -45.61 93.37 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.361 -0.837 . . . . 1.57 109.113 179.958 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -59.54 -34.01 72.11 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.459 -0.776 . . . . 1.44 109.596 179.58 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.82 66.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.392 -0.818 . . . . 0.64 109.405 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.76 ' OE1' HD21 ' C' ' 350' ' ' LEU . 1.4 mt-30 -81.73 -57.31 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.21 109.456 179.778 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -4.99 30.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 1.22 109.748 -179.974 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 0.81 88.52 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.886 -1.286 . . . . 1.5 109.886 -179.796 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.01 97.17 10.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.049 -1.265 . . . . 4.18 109.526 -179.994 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.462 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 15.7 pt-20 -51.98 158.46 1.73 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.279 -0.888 . . . . 5.67 109.628 -179.983 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 3.0 Cg_exo -61.3 155.4 52.03 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.162 1.908 . . . . 5.65 110.236 179.815 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.98 -1.455 . . . . 7.27 109.522 179.987 . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.457 -0.571 . . . . 7.33 109.457 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 55.08 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 7.21 109.312 179.832 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.29 94.84 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.287 -0.883 . . . . 6.47 108.894 -179.67 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.35 -9.84 19.18 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 121.919 1.746 . . . . 4.53 110.464 -179.389 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 323' ' ' LEU . 82.7 mt -84.34 90.87 7.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.156 -0.965 . . . . 4.35 109.431 179.641 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.45 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 10.9 m-20 -84.43 -137.84 0.06 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.348 -0.845 . . . . 2.48 109.015 179.667 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.51 170.83 38.35 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.329 -1.508 . . . . 0.98 109.329 179.848 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.6 129.87 43.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -1.191 . . . . 1.7 109.427 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.45 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 16.6 m-85 -94.19 148.14 22.48 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.237 -0.914 . . . . 0.61 109.582 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.9 m-85 -139.95 136.9 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.359 -0.838 . . . . 0.58 109.14 179.296 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.41 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 21.4 p -93.2 169.36 10.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.831 . . . . 0.42 109.39 179.943 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' C' ' 342' ' ' ARG . 30.9 tp -149.6 132.89 16.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.14 -0.975 . . . . 0.36 109.925 -179.871 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -86.32 121.96 29.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.462 -0.773 . . . . 1.37 109.026 179.401 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.9 109.66 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.47 109.833 -179.68 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.528 ' NH1' ' HB3' ' C' ' 324' ' ' ASP . 1.9 ttt180 -74.03 146.13 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 2.1 109.524 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.09 133.13 8.02 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.538 -1.425 . . . . 0.42 109.538 179.806 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.9 ttp180 -79.6 -55.55 4.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -1.156 . . . . 2.68 109.561 -179.923 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.69 -44.45 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 2.22 109.453 179.953 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.19 -43.64 95.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.403 -0.811 . . . . 2.77 109.573 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' C' ' 329' ' ' THR . 31.0 t80 -55.42 -55.49 31.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.43 109.489 -179.864 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -51.69 -37.8 52.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 1.66 110.045 -179.645 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.29 -46.01 88.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.44 109.935 -179.442 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -55.54 30.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.29 109.189 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.503 ' HG3' HD11 ' C' ' 330' ' ' LEU . 0.1 OUTLIER -50.62 -36.47 35.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.411 -0.806 . . . . 2.44 109.492 179.815 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.4 ' HG3' ' NZ ' ' B' ' 351' ' ' LYS . 1.5 tt0 -60.56 -46.46 90.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -0.865 . . . . 1.74 109.777 -179.761 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' B' ' 344' ' ' LEU . 21.7 mt -61.51 -41.15 96.87 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.267 -0.896 . . . . 0.3 109.422 -179.938 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.44 -47.29 84.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.338 -0.851 . . . . 1.22 109.634 179.754 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.03 -37.21 86.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.72 109.979 -179.609 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -49.46 77.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.27 110.01 -179.545 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.42 HD13 ' NE ' ' C' ' 337' ' ' ARG . 72.6 mt -61.7 -44.96 95.93 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.29 109.789 -179.649 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.44 -35.1 73.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 1.91 109.573 -179.991 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.1 -48.14 74.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.428 -0.795 . . . . 0.41 109.39 -179.802 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 31.7 ttmt -61.18 -35.55 77.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.34 -0.85 . . . . 1.56 109.158 179.89 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -57.02 -39.3 74.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.495 -0.753 . . . . 1.43 109.387 179.846 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.24 76.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.66 109.327 -179.891 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -81.65 -1.58 47.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.571 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.42 67.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.104 -0.997 . . . . 1.23 109.632 -179.777 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 42.68 3.17 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.655 -1.378 . . . . 1.54 109.655 -179.832 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.48 -79.92 0.27 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -1.205 . . . . 4.18 109.819 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.2 154.6 1.37 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.229 -0.92 . . . . 5.71 109.918 -179.69 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.22 -81.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.259 1.973 . . . . 5.61 110.179 179.964 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.939 -1.478 . . . . 7.24 109.58 -179.922 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.456 -0.572 . . . . 7.34 109.456 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttt 54.97 93.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 7.17 109.379 -179.988 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.49 94.8 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 6.44 108.78 -179.763 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.22 -9.94 19.23 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 121.968 1.778 . . . . 4.54 110.521 -179.441 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 323' ' ' LEU . 82.5 mt -84.31 90.78 7.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.09 -1.006 . . . . 4.32 109.456 179.693 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 11.0 m-20 -84.33 -137.98 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.39 -0.819 . . . . 2.47 108.937 179.704 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.3 170.75 37.72 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.338 -1.505 . . . . 0.95 109.338 179.832 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.58 129.99 44.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -1.155 . . . . 1.61 109.441 -179.903 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.451 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 16.8 m-85 -94.24 148.1 22.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.57 109.557 179.991 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -139.9 136.94 34.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.161 -0.962 . . . . 0.53 109.192 179.224 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -93.21 169.38 10.44 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.329 -0.857 . . . . 0.38 109.427 179.952 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' D' ' 342' ' ' ARG . 30.9 tp -149.69 132.84 16.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.36 109.9 -179.851 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.23 121.85 29.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.39 -0.819 . . . . 1.36 109.022 179.456 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.9 109.7 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.091 -1.005 . . . . 0.49 109.905 -179.733 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HB3' ' D' ' 324' ' ' ASP . 1.9 ttt180 -74.04 146.07 44.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 2.1 109.455 179.903 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.07 133.12 8.01 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.593 -1.403 . . . . 0.44 109.593 179.856 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttp180 -79.56 -55.66 4.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.178 -1.189 . . . . 2.72 109.583 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.54 -44.38 89.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.21 109.53 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.3 -43.77 95.99 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.428 -0.795 . . . . 2.79 109.496 -179.887 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 31.4 t80 -55.26 -55.6 29.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.45 109.531 -179.9 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -51.65 -37.99 52.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.344 -0.847 . . . . 1.68 109.915 -179.661 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.13 -46.11 88.81 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.275 -0.891 . . . . 0.43 110.08 -179.529 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.17 -55.69 29.33 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.219 -0.926 . . . . 0.28 109.182 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 330' ' ' LEU . 0.1 OUTLIER -50.52 -36.46 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 2.52 109.646 179.816 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.6 -46.43 90.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.75 109.677 -179.666 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' A' ' 344' ' ' LEU . 21.6 mt -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.31 109.312 -179.858 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.48 -47.27 84.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.295 -0.878 . . . . 1.21 109.637 179.869 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.05 -37.14 85.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.275 -0.89 . . . . 1.69 110.003 -179.655 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.95 -49.41 77.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.178 -0.951 . . . . 0.27 110.082 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 73.1 mt -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.3 109.753 -179.697 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.48 -34.99 73.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.93 109.628 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.09 -48.04 75.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.846 . . . . 0.4 109.414 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.4 ' NZ ' ' HG3' ' A' ' 343' ' ' GLU . 31.7 ttmt -61.3 -35.61 77.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.347 -0.846 . . . . 1.59 109.043 179.865 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.29 74.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.459 -0.776 . . . . 1.43 109.521 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.25 76.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.65 109.442 179.929 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.404 ' OE1' HD11 ' A' ' 350' ' ' LEU . 34.1 mt-30 -81.68 -1.56 47.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 1.19 109.569 179.868 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.34 68.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.114 -0.991 . . . . 1.22 109.643 -179.781 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 42.52 3.16 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.721 -1.352 . . . . 1.53 109.721 -179.828 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.4 -79.94 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -1.171 . . . . 4.21 109.786 -179.854 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.18 154.52 1.38 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.836 . . . . 5.68 109.857 -179.656 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.15 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.35 2.033 . . . . 5.57 110.238 179.91 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 118.02 -1.433 . . . . 7.2 109.551 179.987 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.363 -0.606 . . . . 8.96 109.363 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 54.93 93.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.146 -0.971 . . . . 8.15 109.406 -179.994 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.3 94.86 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 7.15 108.862 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.31 -9.86 19.19 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.916 1.744 . . . . 4.35 110.451 -179.389 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' C' ' 323' ' ' LEU . 82.9 mt -84.39 90.88 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.119 -0.988 . . . . 4.63 109.473 179.644 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.528 ' HB3' ' NH1' ' A' ' 333' ' ' ARG . 11.1 m-20 -84.3 -137.93 0.06 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 2.85 109.007 179.646 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.37 170.86 37.77 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.323 -1.511 . . . . 1.12 109.323 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.64 129.94 44.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.148 -1.207 . . . . 2.11 109.444 -179.883 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.443 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 16.7 m-85 -94.23 148.16 22.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.64 109.571 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.7 m-85 -140.0 136.71 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.976 . . . . 0.49 109.227 179.236 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.1 p -92.97 169.25 10.58 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.383 -0.823 . . . . 0.47 109.404 -179.988 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.503 HD11 ' HG3' ' A' ' 342' ' ' ARG . 30.7 tp -149.57 132.97 16.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.158 -0.964 . . . . 0.42 109.906 -179.918 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -86.34 121.85 29.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 1.81 108.965 179.563 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.91 109.77 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.42 109.818 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 324' ' ' ASP . 1.9 ttt180 -74.02 146.1 44.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 2.35 109.49 179.825 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.02 133.05 7.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.0 ttp180 -79.67 -55.47 4.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -1.144 . . . . 2.59 109.531 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.62 -44.35 89.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 2.54 109.443 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.42 ' NE ' HD13 ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.47 -43.61 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 3.39 109.56 -179.867 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 329' ' ' THR . 31.1 t80 -55.32 -55.52 30.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.47 109.486 -179.893 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -51.64 -37.93 52.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.281 -0.887 . . . . 1.66 109.924 -179.708 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.26 -46.01 88.85 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.144 -0.972 . . . . 0.61 110.053 -179.477 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -55.77 28.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.33 109.143 179.985 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.458 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.48 -36.42 33.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 3.28 109.642 179.791 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.69 -46.37 90.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.99 . . . . 1.78 109.759 -179.736 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' D' ' 344' ' ' LEU . 21.4 mt -61.33 -41.42 97.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.857 . . . . 0.38 109.368 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.4 -47.23 84.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.35 -0.844 . . . . 1.2 109.658 179.93 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.97 -37.19 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.329 -0.857 . . . . 2.12 110.047 -179.755 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.0 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.305 -0.872 . . . . 0.26 110.051 -179.556 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.71 -45.02 95.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.4 109.745 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.49 -35.05 73.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 2.09 109.605 -179.952 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.97 -48.11 75.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.75 109.512 -179.952 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.7 ttmt -61.27 -35.57 77.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 2.19 109.069 179.885 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.03 -39.26 74.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.496 -0.753 . . . . 1.34 109.499 179.819 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.24 76.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.72 109.471 179.906 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.78 -1.56 47.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 1.8 109.486 179.993 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.28 68.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.39 109.76 -179.856 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 42.6 3.16 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.698 -1.361 . . . . 1.66 109.698 -179.906 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.51 -79.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -1.151 . . . . 4.45 109.826 -179.943 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.08 154.53 1.31 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 6.19 109.864 -179.696 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.24 -80.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.268 1.979 . . . . 5.58 110.255 179.899 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 117.974 -1.459 . . . . 6.9 109.596 -179.986 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.4 -0.593 . . . . 7.36 109.4 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 55.07 93.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.924 . . . . 7.15 109.368 179.956 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.38 94.86 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.347 -0.845 . . . . 6.5 108.81 -179.678 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.28 -9.92 19.32 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 121.94 1.76 . . . . 4.5 110.485 -179.405 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' D' ' 323' ' ' LEU . 82.7 mt -84.3 90.84 7.62 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 4.32 109.51 179.637 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.501 ' HB3' ' NH1' ' B' ' 333' ' ' ARG . 11.0 m-20 -84.3 -137.98 0.06 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.355 -0.841 . . . . 2.46 109.022 179.663 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.46 170.73 38.32 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.326 -1.51 . . . . 0.97 109.326 179.838 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.47 129.91 43.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -1.157 . . . . 1.67 109.486 -179.85 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 16.5 m-85 -94.17 148.14 22.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.887 . . . . 0.61 109.572 179.995 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.9 m-85 -139.96 136.84 34.21 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.193 -0.942 . . . . 0.56 109.25 179.182 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.3 p -92.96 169.47 10.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.481 -0.762 . . . . 0.43 109.445 179.97 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' B' ' 342' ' ' ARG . 31.3 tp -149.77 132.85 16.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.064 -1.023 . . . . 0.35 109.892 -179.92 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.33 121.89 29.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.882 . . . . 1.37 108.962 179.552 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.6 mt -123.99 109.78 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.48 109.814 -179.723 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' B' ' 324' ' ' ASP . 1.9 ttt180 -74.06 146.14 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 2.08 109.458 179.871 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.04 133.07 7.99 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.622 -1.391 . . . . 0.4 109.622 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.0 ttp180 -79.64 -55.56 4.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.324 -1.103 . . . . 2.64 109.552 -179.919 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.52 -44.55 89.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 2.22 109.449 179.896 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.405 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.3 ttm180 -60.18 -43.71 95.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.376 -0.828 . . . . 2.74 109.574 -179.906 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' B' ' 329' ' ' THR . 31.0 t80 -55.35 -55.51 30.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.344 -0.848 . . . . 0.43 109.48 -179.874 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -51.7 -37.82 52.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.424 -0.798 . . . . 1.69 110.008 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.26 -46.04 88.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.225 -0.922 . . . . 0.43 109.946 -179.407 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -55.57 30.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.27 109.111 -179.897 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' B' ' 330' ' ' LEU . 0.1 OUTLIER -50.57 -36.45 34.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.536 -0.728 . . . . 2.45 109.615 179.852 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.58 -46.32 90.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.114 -0.991 . . . . 1.75 109.806 -179.804 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' C' ' 344' ' ' LEU . 22.1 mt -61.66 -41.11 97.07 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 0.31 109.364 -179.921 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.55 -47.17 85.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 1.22 109.622 179.845 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.18 -37.0 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 1.73 110.035 -179.627 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -49.36 77.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.868 . . . . 0.28 110.033 -179.654 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.7 -45.05 95.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.31 109.827 -179.718 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.4 -35.09 73.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 1.91 109.616 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.657 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -64.99 -48.15 75.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.855 . . . . 0.43 109.423 -179.868 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.7 ttmt -61.31 -35.46 77.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.434 -0.791 . . . . 1.57 109.1 179.851 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.33 74.52 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.593 -0.692 . . . . 1.44 109.458 179.788 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.24 76.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.64 109.38 179.984 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.84 -1.5 47.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.21 109.489 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.32 67.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.216 -0.928 . . . . 1.22 109.691 -179.853 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 42.73 3.17 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.717 -1.353 . . . . 1.5 109.717 -179.899 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.64 -79.87 0.28 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.076 -1.25 . . . . 4.18 109.787 -179.807 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.3 154.52 1.45 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 5.67 109.904 -179.753 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.18 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.341 2.027 . . . . 5.65 110.157 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.429 0 CA-C-O 118.03 -1.428 . . . . 7.27 109.551 -179.986 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.528 -0.545 . . . . 7.33 109.528 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.29 -93.57 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 7.21 109.435 -179.926 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 56.25 100.81 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.149 -0.97 . . . . 6.47 109.471 179.897 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 1.1 Cg_endo -62.93 107.05 0.58 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.964 1.776 . . . . 4.53 109.999 -179.953 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.26 -95.17 0.07 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.293 -0.879 . . . . 4.35 110.334 -179.523 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.78 0.79 55.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.284 -0.885 . . . . 2.48 110.492 -178.995 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.574 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -66.9 102.91 0.82 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.579 -1.408 . . . . 0.98 109.579 -179.333 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.09 121.82 16.01 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.999 -0.707 . . . . 1.7 109.784 179.798 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.622 ' CE1' ' HB3' ' A' ' 322' ' ' PRO . 45.6 m-85 -100.6 151.46 21.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 0.61 109.396 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.64 -169.09 2.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.239 -0.913 . . . . 0.58 109.697 -179.699 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 36.8 p -153.25 160.74 42.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.42 109.325 -179.841 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 130.56 14.9 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.36 109.604 -179.796 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.71 132.5 33.85 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -0.876 . . . . 1.37 109.47 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 341' ' ' PHE . 44.7 mt -123.89 116.63 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.162 -0.961 . . . . 0.47 109.44 179.779 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -73.06 150.41 42.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1 109.598 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.58 7.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.648 -1.381 . . . . 0.42 109.648 179.808 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.6 ttm180 -79.5 -51.67 9.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -1.097 . . . . 2.68 109.499 179.945 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.32 90.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 2.22 109.826 -179.887 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.95 97.64 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.336 -0.852 . . . . 2.77 109.623 -179.874 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.4 t80 -55.51 -51.77 65.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.355 -0.841 . . . . 0.43 109.527 179.917 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.68 -39.45 61.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 1.66 110.006 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.39 -47.15 85.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.255 -0.903 . . . . 0.44 110.275 -179.25 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.659 ' HD2' HG21 ' A' ' 332' ' ' ILE . 23.2 m-85 -60.62 -53.08 61.82 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.157 -0.964 . . . . 0.29 109.435 -179.759 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.68 -38.75 48.53 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.308 -0.87 . . . . 2.44 109.505 179.804 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -61.33 -45.14 95.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.74 109.885 -179.734 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' B' ' 344' ' ' LEU . 43.0 mt -61.92 -44.56 96.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.3 109.593 -179.642 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.1 -44.89 87.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.305 -0.872 . . . . 1.22 109.667 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -37.63 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.72 109.729 -179.813 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -48.9 79.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.27 109.887 -179.774 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' C' ' 337' ' ' ARG . 66.1 mt -61.42 -44.69 96.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.29 109.942 -179.618 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.0 -35.92 78.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 1.91 109.86 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 18.2 tp -64.78 -43.15 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -0.826 . . . . 0.41 109.487 -179.806 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -63.08 -49.39 74.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 1.56 109.192 179.799 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.72 -33.97 68.99 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.585 -0.697 . . . . 1.43 109.662 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.55 77.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.66 109.643 -179.682 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -82.68 -8.59 59.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.18 109.62 -179.818 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -24.71 61.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.145 -0.972 . . . . 1.23 109.379 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -6.29 83.84 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.663 -1.375 . . . . 1.54 109.663 179.976 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -86.46 125.87 34.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.114 -1.227 . . . . 4.18 109.667 -179.891 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -50.44 150.15 4.95 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 5.71 109.59 -179.989 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.78 129.21 26.83 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.294 1.996 . . . . 5.61 110.172 179.835 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.467 -1.453 . . . . 7.24 109.467 179.987 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.451 -0.574 . . . . 7.34 109.451 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER 58.47 -93.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 7.17 109.402 -179.981 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 64.6 mttt 56.32 100.81 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.135 -0.978 . . . . 6.44 109.392 179.829 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' B' ' 327' ' ' TYR . 1.1 Cg_endo -62.93 107.06 0.58 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.038 1.826 . . . . 4.54 109.898 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.39 -95.09 0.07 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 4.32 110.352 -179.607 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.62 0.3 55.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.47 110.664 -179.087 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.17 102.79 0.76 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.314 -1.422 . . . . 0.95 109.672 -179.416 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.23 121.91 16.27 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.837 -0.802 . . . . 1.61 109.72 179.778 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' B' ' 322' ' ' PRO . 46.1 m-85 -100.63 151.54 21.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.13 -0.981 . . . . 0.57 109.363 179.499 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.6 -169.13 2.54 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.261 -0.899 . . . . 0.53 109.794 -179.668 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.3 p -153.29 160.55 42.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.38 109.321 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.87 130.66 15.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.965 . . . . 0.36 109.676 -179.88 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.49 33.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.907 . . . . 1.36 109.476 -179.982 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.642 HG21 ' HD2' ' B' ' 341' ' ' PHE . 44.7 mt -123.87 116.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.49 109.448 179.895 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -72.92 150.44 42.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 2.1 109.556 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.67 7.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.647 -1.381 . . . . 0.44 109.647 179.818 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.7 ttm180 -79.56 -51.7 8.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 2.72 109.437 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.42 90.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.383 -0.823 . . . . 2.21 109.76 -179.831 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.821 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.3 tpp180 -62.11 -44.15 97.29 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.314 -0.866 . . . . 2.79 109.6 -179.799 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.2 t80 -55.38 -51.76 65.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.363 -0.835 . . . . 0.45 109.554 179.915 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.76 -39.4 62.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.448 -0.783 . . . . 1.68 110.008 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.43 -47.09 85.6 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.159 -0.963 . . . . 0.43 110.301 -179.245 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.99 62.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.978 . . . . 0.28 109.404 -179.716 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.76 -38.76 49.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 2.52 109.418 179.89 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -61.4 -44.94 96.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 1.75 109.912 -179.709 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' A' ' 344' ' ' LEU . 42.9 mt -61.98 -44.58 96.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.31 109.571 -179.708 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.9 t30 -58.13 -44.98 88.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 1.21 109.619 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.83 -37.49 86.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.334 -0.854 . . . . 1.69 109.79 -179.857 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.13 -48.98 79.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.27 109.806 -179.784 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.772 HD22 ' NH1' ' D' ' 337' ' ' ARG . 67.4 mt -61.42 -44.74 96.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.3 109.879 -179.518 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.06 -35.9 78.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 1.93 109.778 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.476 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 18.2 tp -64.68 -43.03 94.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.4 109.588 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.23 -49.31 74.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.391 -0.818 . . . . 1.59 109.171 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.8 -33.91 69.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.485 -0.76 . . . . 1.43 109.66 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.52 77.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.65 109.669 -179.717 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -82.75 -8.44 59.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.329 -0.857 . . . . 1.19 109.623 -179.843 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.68 61.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.149 -0.969 . . . . 1.22 109.372 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -6.33 83.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 179.954 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.5 125.9 34.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 4.21 109.604 -179.838 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -50.51 150.16 5.04 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 5.68 109.548 -179.967 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.84 129.28 27.02 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.222 1.948 . . . . 5.57 110.093 179.9 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.003 -1.443 . . . . 7.2 109.555 179.975 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.479 -0.563 . . . . 8.96 109.479 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.45 -93.6 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 8.15 109.492 -179.899 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 64.4 mttt 56.18 100.92 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.103 -0.998 . . . . 7.15 109.387 179.874 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 1.2 Cg_endo -63.03 107.09 0.6 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.01 1.806 . . . . 4.35 109.97 179.995 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.3 -95.29 0.07 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.171 -0.956 . . . . 4.63 110.306 -179.525 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.7 0.64 55.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 2.85 110.573 -178.991 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -66.66 102.9 0.81 Allowed Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.247 -1.454 . . . . 1.12 109.646 -179.384 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 121.78 15.91 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.948 -0.737 . . . . 2.11 109.837 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' C' ' 322' ' ' PRO . 46.0 m-85 -100.58 151.54 21.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.64 109.295 179.552 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -138.64 -169.13 2.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.49 109.732 -179.743 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 36.7 p -153.32 160.68 42.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.47 109.253 -179.866 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -148.92 130.62 15.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.194 -0.942 . . . . 0.42 109.54 -179.749 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.58 33.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.294 -0.879 . . . . 1.81 109.519 179.923 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.65 HG21 ' HD2' ' C' ' 341' ' ' PHE . 44.7 mt -123.87 116.59 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.123 -0.986 . . . . 0.42 109.386 179.929 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.05 150.4 42.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.35 109.541 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.56 7.06 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.753 -1.339 . . . . 0.41 109.753 179.875 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.7 ttm180 -79.51 -51.68 9.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -1.132 . . . . 2.59 109.437 -179.986 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.35 90.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 2.54 109.808 -179.896 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.223 -0.923 . . . . 3.39 109.594 -179.758 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.6 t80 -55.51 -51.73 66.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.402 -0.811 . . . . 0.47 109.49 179.943 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.77 -39.43 62.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.318 -0.864 . . . . 1.66 109.931 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.34 -47.14 85.53 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.312 -0.867 . . . . 0.61 110.353 -179.295 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.65 ' HD2' HG21 ' C' ' 332' ' ' ILE . 23.2 m-85 -60.64 -53.11 61.37 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.236 -0.915 . . . . 0.33 109.405 -179.762 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -50.78 -38.6 49.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 3.28 109.486 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -61.42 -45.03 96.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.233 -0.917 . . . . 1.78 109.92 -179.757 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' D' ' 344' ' ' LEU . 43.0 mt -61.83 -44.72 96.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.38 109.572 -179.666 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -57.96 -45.02 87.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 1.2 109.626 179.962 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.96 -37.5 87.36 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.864 . . . . 2.12 109.721 -179.687 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -49.0 79.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.905 . . . . 0.26 109.857 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' A' ' 337' ' ' ARG . 66.7 mt -61.42 -44.86 96.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.358 -0.839 . . . . 0.4 109.895 -179.572 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.92 -35.98 78.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 2.09 109.784 -179.809 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 18.2 tp -64.69 -43.2 94.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.75 109.468 -179.792 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.08 -49.34 74.91 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.411 -0.805 . . . . 2.19 109.177 179.877 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -34.01 69.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.529 -0.732 . . . . 1.34 109.668 179.822 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.65 77.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.883 . . . . 0.72 109.713 -179.772 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -82.61 -8.56 59.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -0.942 . . . . 1.8 109.542 -179.766 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -24.53 61.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 1.39 109.332 179.997 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -6.23 83.6 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.721 -1.352 . . . . 1.66 109.721 179.956 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -86.5 125.98 34.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.14 -1.212 . . . . 4.45 109.527 -179.753 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -50.64 150.19 5.19 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 6.19 109.61 -179.969 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.82 129.33 27.2 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.27 1.98 . . . . 5.58 110.123 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.498 -1.441 . . . . 6.9 109.498 -179.98 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.459 -0.571 . . . . 7.36 109.459 . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER 58.38 -93.58 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.932 . . . . 7.15 109.442 -179.976 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 320' ' ' LYS . 64.3 mttt 56.35 100.84 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.17 -0.956 . . . . 6.5 109.419 179.858 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.619 ' HB3' ' CE1' ' D' ' 327' ' ' TYR . 1.1 Cg_endo -63.07 107.07 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.018 1.812 . . . . 4.5 109.957 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.24 -95.17 0.07 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.343 -0.848 . . . . 4.32 110.389 -179.559 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.63 0.53 55.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.196 -0.94 . . . . 2.46 110.589 -179.138 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -66.64 102.84 0.8 Allowed Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.347 -1.406 . . . . 0.97 109.638 -179.373 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.06 121.81 15.99 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.969 -0.724 . . . . 1.67 109.714 179.815 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.619 ' CE1' ' HB3' ' D' ' 322' ' ' PRO . 45.7 m-85 -100.59 151.59 21.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.172 -0.955 . . . . 0.61 109.388 179.454 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.0 m-85 -138.66 -169.19 2.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.56 109.764 -179.684 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.2 p -153.29 160.51 42.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 0.43 109.389 -179.897 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -148.83 130.63 15.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.35 109.552 -179.765 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -86.83 132.42 33.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 1.37 109.444 -179.97 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.648 HG21 ' HD2' ' D' ' 341' ' ' PHE . 44.0 mt -123.76 116.59 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.173 -0.955 . . . . 0.48 109.487 179.817 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.21 150.41 42.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.892 . . . . 2.08 109.537 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.85 138.54 7.11 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.709 -1.356 . . . . 0.4 109.709 179.932 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.6 ttm180 -79.52 -51.65 9.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.238 -1.154 . . . . 2.64 109.49 179.959 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -42.27 90.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.356 -0.84 . . . . 2.22 109.849 -179.861 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.772 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.4 tpp180 -62.2 -43.98 97.6 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.271 -0.893 . . . . 2.74 109.653 -179.921 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.4 t80 -55.48 -51.77 65.86 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.399 -0.813 . . . . 0.43 109.562 179.899 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.62 -39.46 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.69 110.088 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -62.47 -47.11 85.46 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.233 -0.917 . . . . 0.43 110.216 -179.215 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.648 ' HD2' HG21 ' D' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.94 62.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.176 -0.952 . . . . 0.27 109.415 -179.689 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.86 -38.67 50.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.296 -0.877 . . . . 2.45 109.543 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -61.25 -45.13 95.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.28 -0.887 . . . . 1.75 109.909 -179.84 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' C' ' 344' ' ' LEU . 43.1 mt -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.31 109.617 -179.679 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.14 -44.97 88.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.22 109.607 -179.994 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.87 -37.53 87.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.242 -0.911 . . . . 1.73 109.761 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.09 -48.96 79.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 0.28 109.813 -179.741 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.821 HD22 ' NH1' ' B' ' 337' ' ' ARG . 67.2 mt -61.47 -44.86 96.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.868 . . . . 0.31 109.858 -179.513 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.84 -35.92 77.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.051 -1.031 . . . . 1.91 109.836 -179.845 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 18.4 tp -64.67 -43.18 94.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.43 109.577 -179.867 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.4 ttmt -63.16 -49.4 74.46 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 1.57 109.152 179.836 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.69 -33.98 68.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.498 -0.751 . . . . 1.44 109.639 179.865 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.49 77.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 0.64 109.717 -179.725 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -82.81 -8.5 59.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.91 . . . . 1.21 109.653 -179.849 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.29 -24.6 61.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.22 109.395 179.843 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -6.11 83.51 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.673 -1.371 . . . . 1.5 109.673 -179.974 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -86.5 125.94 34.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -1.166 . . . . 4.18 109.655 -179.938 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.65 150.24 5.17 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.369 -0.832 . . . . 5.67 109.61 -179.931 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.88 129.29 26.96 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.23 1.953 . . . . 5.65 110.107 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.959 -1.467 . . . . 7.27 109.593 -179.923 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.462 -0.57 . . . . 7.33 109.462 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.6 169.13 0.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 7.21 109.45 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.25 94.97 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 6.47 109.555 179.908 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -69.13 5.81 1.32 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.424 2.083 . . . . 4.53 111.421 179.77 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 323' ' ' LEU . 9.0 mt -79.55 8.2 6.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.805 -1.184 . . . . 4.35 110.073 -179.705 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -78.07 -172.83 2.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.191 -0.943 . . . . 2.48 109.527 179.952 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 156.73 53.26 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.65 -1.38 . . . . 0.98 109.65 -179.975 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -58.77 134.66 57.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -1.116 . . . . 1.7 109.412 179.983 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.1 m-85 -94.45 158.8 15.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.61 109.704 -179.897 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 95.3 m-85 -138.48 -168.49 2.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.58 109.638 179.973 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.565 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.4 p -154.51 152.53 30.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.42 109.474 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -148.03 133.03 18.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.36 109.578 -179.79 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -87.53 132.36 34.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.834 . . . . 1.37 109.741 -179.864 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.0 mt -123.98 115.38 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.47 109.349 179.65 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.3 148.78 41.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 2.1 109.557 179.933 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.48 133.93 8.21 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.752 -1.339 . . . . 0.42 109.752 179.73 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttt180 -70.5 -61.65 1.69 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -1.161 . . . . 2.68 109.465 179.839 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.72 -38.69 78.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.892 . . . . 2.22 109.55 -179.993 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.81 -48.64 77.51 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.318 -0.864 . . . . 2.77 109.93 -179.791 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.7 t80 -55.51 -57.86 10.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.893 . . . . 0.43 109.611 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -50.91 -35.43 33.0 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.22 -0.925 . . . . 1.66 109.956 -179.731 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.22 -51.32 66.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.066 -1.021 . . . . 0.44 110.437 -179.204 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.6 m-85 -61.46 -51.63 67.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.063 -1.023 . . . . 0.29 109.459 -179.767 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -50.99 -35.81 35.87 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.373 -0.829 . . . . 2.44 109.737 179.955 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.33 -50.51 73.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 1.74 109.688 -179.733 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 344' ' ' LEU . 95.2 mt -61.41 -34.2 74.98 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.213 -0.929 . . . . 0.3 109.0 179.927 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.502 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.7 -53.96 51.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 1.22 109.721 179.751 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.72 109.884 -179.488 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.36 -52.02 67.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.27 109.899 -179.521 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 41.2 mt -61.17 -43.23 99.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.326 -0.859 . . . . 0.29 109.713 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.14 -33.36 72.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 1.91 109.78 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.7 -47.69 77.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.41 109.514 -179.683 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.06 -46.63 89.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 1.56 109.011 179.78 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.06 63.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.642 -0.661 . . . . 1.43 109.48 179.496 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.8 81.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.66 109.74 -179.785 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' B' ' 350' ' ' LEU . 4.3 mt-30 -83.48 -17.42 42.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 1.18 109.589 -179.86 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.82 -18.73 60.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.23 109.699 179.931 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -4.77 85.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.088 -1.205 . . . . 1.54 110.088 -179.721 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -86.56 -87.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.123 -1.222 . . . . 4.18 109.807 -179.67 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.19 165.28 0.33 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 5.71 109.909 -179.624 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.2 -179.08 0.22 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.376 2.051 . . . . 5.61 110.38 -179.999 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.954 -1.47 . . . . 7.24 109.523 179.965 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.263 0.554 . . . . 7.34 109.558 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.74 169.13 0.09 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 7.17 109.458 180.0 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.12 95.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.31 -0.869 . . . . 6.44 109.579 179.944 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -69.12 5.72 1.35 Allowed 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.489 2.126 . . . . 4.54 111.411 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.416 HD23 ' N ' ' B' ' 323' ' ' LEU . 9.0 mt -79.51 8.19 6.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.796 -1.19 . . . . 4.32 110.146 -179.68 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.17 -172.85 2.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.934 . . . . 2.47 109.456 -179.969 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.69 156.88 53.3 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.67 -1.372 . . . . 0.95 109.67 -179.893 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -58.83 134.65 57.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 1.61 109.448 -179.955 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.46 158.73 15.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.57 109.734 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 95.1 m-85 -138.32 -168.48 2.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.53 109.587 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.579 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.38 109.467 -179.978 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.2 tp -148.0 133.02 18.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 0.36 109.505 -179.807 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 2.0 tt0 -87.47 132.35 34.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 1.36 109.739 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.5 mt -123.95 115.42 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.288 -0.883 . . . . 0.49 109.38 179.613 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.27 148.64 41.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.563 179.961 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.56 133.98 8.24 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.731 -1.348 . . . . 0.44 109.731 179.663 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttt180 -70.62 -61.62 1.7 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -1.12 . . . . 2.72 109.391 179.936 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.77 -38.62 78.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.456 -0.778 . . . . 2.21 109.564 -179.945 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.95 -48.52 78.12 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.32 -0.862 . . . . 2.79 109.912 -179.77 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.57 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.32 -57.93 9.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.373 -0.83 . . . . 0.45 109.727 -179.842 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.04 -35.24 33.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 1.68 109.891 -179.615 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.36 -51.21 66.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.26 -0.9 . . . . 0.43 110.39 -179.154 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.68 ' HB2' HD13 ' B' ' 332' ' ' ILE . 33.0 m-85 -61.65 -51.54 68.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.146 -0.971 . . . . 0.28 109.4 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.85 -36.04 35.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.359 -0.838 . . . . 2.52 109.693 179.845 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.21 -50.42 73.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.129 -0.982 . . . . 1.75 109.782 -179.682 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 344' ' ' LEU . 95.2 mt -61.41 -34.26 75.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -0.917 . . . . 0.31 108.99 179.876 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.68 -53.91 52.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.21 109.825 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.26 -33.99 76.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.69 109.994 -179.617 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -52.11 66.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 0.27 109.874 -179.551 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.535 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 41.0 mt -61.16 -43.24 99.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.3 109.616 -179.668 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.25 -33.21 71.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 1.93 109.801 -179.97 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.82 -47.59 77.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.4 109.494 -179.648 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 23.4 ttmm -61.16 -46.52 90.17 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.774 . . . . 1.59 109.012 179.766 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.16 63.64 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.629 -0.669 . . . . 1.43 109.357 179.51 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.8 81.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.65 109.693 -179.656 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -83.39 -17.44 42.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 1.19 109.687 -179.92 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.86 -18.63 60.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 1.22 109.668 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -4.75 85.09 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 110.072 -1.211 . . . . 1.53 110.072 -179.765 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -86.6 -87.17 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -1.213 . . . . 4.21 109.822 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.24 165.3 0.34 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 5.68 109.885 -179.644 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.24 -179.03 0.22 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.411 2.074 . . . . 5.57 110.338 -179.98 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.987 -1.452 . . . . 7.2 109.485 179.974 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.251 0.548 . . . . 8.96 109.606 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.66 169.1 0.09 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.221 -0.924 . . . . 8.15 109.439 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.16 95.13 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 7.15 109.557 179.921 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -69.18 5.72 1.38 Allowed 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.421 2.081 . . . . 4.35 111.383 179.777 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.42 ' N ' HD23 ' C' ' 323' ' ' LEU . 8.9 mt -79.44 8.15 6.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.809 -1.182 . . . . 4.63 110.158 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -78.11 -172.78 2.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 2.85 109.549 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 156.81 53.43 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.666 -1.374 . . . . 1.12 109.666 -179.863 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.78 134.67 57.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.172 -1.193 . . . . 2.11 109.469 -179.922 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.4 158.92 15.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.897 . . . . 0.64 109.693 -179.908 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 95.2 m-85 -138.59 -168.49 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.337 -0.852 . . . . 0.49 109.586 179.982 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.4 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.47 109.469 -179.879 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.2 tp -148.01 133.07 18.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.102 -0.999 . . . . 0.42 109.508 -179.815 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -87.5 132.36 34.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.171 -0.956 . . . . 1.81 109.824 -179.948 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.3 mt -123.99 115.33 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 0.42 109.392 179.683 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.23 148.82 41.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 2.35 109.554 179.994 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.51 133.94 8.21 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.64 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttt180 -70.52 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -1.077 . . . . 2.59 109.469 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.85 -38.48 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 2.54 109.542 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.54 78.18 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.345 -0.847 . . . . 3.39 109.982 -179.847 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.0 t80 -55.46 -57.82 10.32 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.358 -0.838 . . . . 0.47 109.716 -179.81 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.1 -35.14 33.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 1.66 109.903 -179.694 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.44 -51.23 66.58 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.171 -0.956 . . . . 0.61 110.319 -179.178 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.662 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.1 m-85 -61.74 -51.39 68.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.085 -1.009 . . . . 0.33 109.459 -179.628 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.03 -35.9 36.73 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.419 -0.801 . . . . 3.28 109.723 179.811 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.14 -50.57 73.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.114 -0.991 . . . . 1.78 109.738 -179.776 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.39 -34.33 75.17 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.91 . . . . 0.38 108.989 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.58 -53.97 51.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 1.2 109.83 179.738 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.25 -33.95 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.89 . . . . 2.12 109.985 -179.578 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.26 -52.12 66.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.945 . . . . 0.26 109.955 -179.647 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.571 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 40.8 mt -61.2 -43.23 99.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.4 109.612 -179.677 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.17 -33.27 71.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 2.09 109.82 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.75 -47.58 77.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.75 109.537 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.23 -46.54 89.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.338 -0.851 . . . . 2.19 108.936 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -30.02 63.59 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.54 -0.725 . . . . 1.34 109.486 179.461 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.76 81.72 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.329 -0.857 . . . . 0.72 109.651 -179.697 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -83.44 -17.32 42.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.8 109.709 -179.93 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.68 60.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.926 . . . . 1.39 109.626 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.61 -4.84 85.1 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 110.019 -1.232 . . . . 1.66 110.019 -179.721 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -86.49 -87.18 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -1.226 . . . . 4.45 109.857 -179.71 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.26 165.23 0.34 Allowed Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.241 -0.912 . . . . 6.19 109.892 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.06 -178.83 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.306 2.004 . . . . 5.58 110.392 -179.998 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 117.984 -1.453 . . . . 6.9 109.502 179.959 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.518 -0.549 . . . . 7.36 109.518 . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.61 169.14 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 7.15 109.474 -179.991 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.15 95.05 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.198 -0.939 . . . . 6.5 109.593 179.982 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -69.18 5.85 1.33 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.467 2.112 . . . . 4.5 111.44 179.743 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.411 ' N ' HD23 ' D' ' 323' ' ' LEU . 9.0 mt -79.57 8.15 6.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.892 -1.13 . . . . 4.32 110.124 -179.719 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.93 -172.83 2.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.138 -0.977 . . . . 2.46 109.58 179.931 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 156.72 53.34 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.651 -1.38 . . . . 0.97 109.651 -179.943 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -58.64 134.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -1.117 . . . . 1.67 109.502 179.944 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.3 m-85 -94.59 158.82 15.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.61 109.645 -179.848 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.1 m-85 -138.52 -168.51 2.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 0.56 109.59 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.57 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -154.48 152.54 30.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 0.43 109.446 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.2 tp -148.06 133.0 18.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.35 109.541 -179.811 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 2.1 tt0 -87.44 132.3 34.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 1.37 109.871 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.0 mt -123.93 115.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.48 109.378 179.581 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.42 148.7 40.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 2.08 109.521 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.6 133.8 8.17 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.722 -1.351 . . . . 0.4 109.722 179.628 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.6 ttt180 -70.35 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.144 . . . . 2.64 109.503 179.818 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.8 -38.54 78.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.443 -0.786 . . . . 2.22 109.579 -179.967 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -48.49 78.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.315 -0.866 . . . . 2.74 109.933 -179.787 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.7 t80 -55.5 -57.92 9.9 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.386 -0.821 . . . . 0.43 109.625 -179.797 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.01 -35.24 33.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.69 109.859 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.43 -51.25 66.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 0.43 110.275 -179.095 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.5 m-85 -61.56 -51.57 68.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.112 -0.992 . . . . 0.27 109.403 -179.642 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.0 -35.91 36.47 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.428 -0.795 . . . . 2.45 109.675 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.26 -50.42 73.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 1.75 109.734 -179.705 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 344' ' ' LEU . 95.3 mt -61.44 -34.24 75.07 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.25 -0.906 . . . . 0.31 108.988 179.923 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.472 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.76 -53.94 52.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.793 . . . . 1.22 109.751 179.776 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.18 -34.11 76.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 1.73 109.942 -179.594 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -52.21 66.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.28 109.927 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.504 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 41.1 mt -61.17 -43.35 99.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.289 -0.882 . . . . 0.31 109.612 -179.61 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.2 -33.19 71.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.28 -0.887 . . . . 1.91 109.816 179.996 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.72 -47.69 77.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.302 -0.874 . . . . 0.43 109.492 -179.74 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.17 -46.57 89.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.873 . . . . 1.57 108.944 179.828 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -30.08 63.52 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.682 -0.636 . . . . 1.44 109.466 179.54 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.83 82.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 0.64 109.729 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -83.39 -17.41 42.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.124 -0.985 . . . . 1.21 109.716 -179.957 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.83 -18.69 60.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.075 -1.016 . . . . 1.22 109.732 179.915 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -4.7 84.97 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.984 -1.246 . . . . 1.5 109.984 -179.696 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -86.63 -87.19 0.14 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.147 -1.208 . . . . 4.18 109.791 -179.691 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.16 165.25 0.33 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 5.67 109.894 -179.634 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.13 -178.99 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.369 2.046 . . . . 5.65 110.355 179.985 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.018 -1.434 . . . . 7.27 109.534 179.964 . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.472 -0.566 . . . . 7.33 109.472 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 1.9 ttpp 80.04 -25.78 0.17 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.519 -0.738 . . . . 7.21 110.864 179.806 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 58.23 85.87 0.18 Allowed Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 120.831 -1.168 . . . . 6.47 109.798 -179.928 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -67.58 -3.88 11.03 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.191 1.927 . . . . 4.53 110.565 179.818 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.5 mm? -83.95 12.02 6.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 4.35 109.634 179.837 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 5.8 m-20 -78.12 -130.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.351 -0.843 . . . . 2.48 109.369 -179.771 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 143.33 42.39 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.539 -1.425 . . . . 0.98 109.539 -179.809 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -60.46 144.57 50.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.519 -0.989 . . . . 1.7 109.649 -179.903 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -94.85 155.98 16.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.237 -0.914 . . . . 0.61 109.068 179.387 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -138.54 -168.82 2.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 0.58 109.791 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.6 p -155.12 158.22 38.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.403 -0.811 . . . . 0.42 109.358 -179.903 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.9 tp -147.95 128.83 14.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.36 109.427 -179.96 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -86.84 129.43 34.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 1.37 109.61 -179.827 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 341' ' ' PHE . 43.0 mt -123.91 119.07 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.927 . . . . 0.47 109.468 179.672 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.4 149.75 42.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 2.1 109.51 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.59 5.98 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.716 -1.354 . . . . 0.42 109.716 179.889 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 tpt180 -80.16 -51.66 8.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -1.152 . . . . 2.68 109.572 179.937 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.251 -0.906 . . . . 2.22 109.697 -179.698 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.663 HH12 HD22 ' C' ' 348' ' ' LEU . 9.0 tpp180 -63.32 -44.76 94.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.263 -0.898 . . . . 2.77 109.589 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.9 t80 -53.59 -49.98 66.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.358 -0.839 . . . . 0.43 109.455 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 20.6 mt-10 -52.57 -39.86 61.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.827 . . . . 1.66 109.833 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.21 -45.48 93.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.296 -0.877 . . . . 0.44 110.176 -179.257 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 332' ' ' ILE . 29.0 m-85 -61.44 -53.38 57.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.161 -0.962 . . . . 0.29 109.282 -179.837 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.67 -39.04 49.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.44 109.82 179.924 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.85 -44.88 96.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.158 -0.964 . . . . 1.74 109.873 -179.682 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 344' ' ' LEU . 92.8 mt -62.01 -44.83 95.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.3 109.571 -179.738 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.413 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.08 -43.73 87.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 1.22 109.723 179.996 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -38.9 93.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.897 . . . . 1.72 109.94 -179.697 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.51 -49.54 77.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.27 109.976 -179.684 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.707 HD22 HH12 ' C' ' 337' ' ' ARG . 43.8 mt -61.52 -43.74 98.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.29 109.663 -179.758 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 -36.27 76.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.91 109.675 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.57 -45.7 85.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.41 109.7 -179.909 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.36 -41.51 97.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.263 -0.898 . . . . 1.56 109.076 -179.941 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.2 -32.42 66.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.566 -0.709 . . . . 1.43 109.697 179.682 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.8 88.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.9 . . . . 0.66 109.813 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -81.32 -5.16 57.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.18 109.629 -179.786 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -82.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.05 -1.031 . . . . 1.23 109.17 179.665 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 61.49 4.64 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.552 -1.419 . . . . 1.54 109.552 179.766 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 357' ' ' LYS . 22.0 tttp -86.64 13.31 8.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -1.117 . . . . 4.18 109.566 -179.87 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.0 160.96 0.45 Allowed Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.223 -0.923 . . . . 5.71 109.686 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.71 -81.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.325 2.017 . . . . 5.61 110.335 -179.809 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.53 -1.428 . . . . 7.24 109.53 -179.941 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.503 -0.554 . . . . 7.34 109.503 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 1.9 ttpp 79.96 -25.76 0.17 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.465 -0.772 . . . . 7.17 110.827 179.763 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.28 86.0 0.17 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 120.801 -1.187 . . . . 6.44 109.717 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -67.7 -3.9 11.19 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.28 1.986 . . . . 4.54 110.522 179.883 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.491 HD22 ' N ' ' B' ' 323' ' ' LEU . 4.5 mm? -83.9 11.89 6.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.092 -1.005 . . . . 4.32 109.683 179.852 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 5.8 m-20 -77.99 -130.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.316 -0.865 . . . . 2.47 109.392 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.0 143.23 42.97 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.593 -1.403 . . . . 0.95 109.593 -179.945 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -60.6 144.57 51.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -1.071 . . . . 1.61 109.614 -179.88 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.42 ' HB3' ' OE1' ' D' ' 331' ' ' GLN . 44.9 m-85 -94.82 155.91 16.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.57 109.089 179.42 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.8 m-85 -138.49 -168.89 2.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.159 -0.963 . . . . 0.53 109.752 -179.824 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 16.3 p -154.93 158.28 39.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.297 -0.877 . . . . 0.38 109.317 -179.869 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.8 tp -147.9 128.8 14.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.16 -0.963 . . . . 0.36 109.482 179.985 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.4 34.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 1.36 109.694 -179.907 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' B' ' 341' ' ' PHE . 43.3 mt -123.95 119.11 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.49 109.4 179.749 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.45 149.79 42.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.193 -0.942 . . . . 2.1 109.463 -179.973 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.7 6.02 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.701 -1.36 . . . . 0.44 109.701 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 tpt180 -80.33 -51.53 8.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -1.164 . . . . 2.72 109.575 179.962 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.21 109.71 -179.773 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.711 HH12 HD22 ' D' ' 348' ' ' LEU . 9.0 tpp180 -63.31 -44.77 94.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.303 -0.873 . . . . 2.79 109.594 179.956 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 59.2 t80 -53.71 -49.95 66.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.838 . . . . 0.45 109.415 -179.905 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 20.6 mt-10 -52.61 -39.73 61.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 1.68 109.858 -179.979 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.28 -45.45 93.21 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.246 -0.909 . . . . 0.43 110.195 -179.341 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.53 ' CG ' HD13 ' B' ' 332' ' ' ILE . 28.9 m-85 -61.45 -53.3 58.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.179 -0.951 . . . . 0.28 109.383 -179.896 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.76 -38.98 51.05 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.315 -0.865 . . . . 2.52 109.734 179.932 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.92 -44.89 96.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.119 -0.988 . . . . 1.75 109.817 -179.624 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 344' ' ' LEU . 92.9 mt -61.97 -44.85 95.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.31 109.645 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.427 ' HB2' HD21 ' D' ' 330' ' ' LEU . 38.6 t30 -58.19 -43.5 87.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.21 109.735 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.27 -38.95 93.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.401 -0.812 . . . . 1.69 109.848 -179.718 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -0.873 . . . . 0.27 109.948 -179.677 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.651 HD22 HH12 ' D' ' 337' ' ' ARG . 44.9 mt -61.51 -43.82 98.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.326 -0.859 . . . . 0.3 109.56 -179.689 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -59.82 -36.27 76.45 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.291 -0.881 . . . . 1.93 109.728 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 8.7 tp -64.64 -45.75 85.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.4 109.625 -179.912 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -41.61 97.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.887 . . . . 1.59 109.083 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.25 -32.34 66.46 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 1.43 109.639 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.72 88.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.65 109.724 -179.621 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -81.32 -5.1 57.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.191 -0.943 . . . . 1.19 109.643 -179.893 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -82.48 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 1.22 109.165 179.632 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.14 61.38 4.66 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.612 -1.395 . . . . 1.53 109.612 179.77 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 357' ' ' LYS . 22.0 tttp -86.48 13.15 8.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -1.204 . . . . 4.21 109.594 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.84 160.91 0.44 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 5.68 109.625 -179.788 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.79 -80.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.232 1.955 . . . . 5.57 110.386 -179.893 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.538 -1.425 . . . . 7.2 109.538 -179.973 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.588 -0.523 . . . . 8.96 109.588 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 1.9 ttpp 80.05 -25.71 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.426 -0.796 . . . . 8.15 110.847 179.858 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.32 85.91 0.17 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 120.743 -1.223 . . . . 7.15 109.735 179.978 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -67.55 -4.01 11.23 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.2 1.934 . . . . 4.35 110.525 179.82 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.489 HD22 ' N ' ' C' ' 323' ' ' LEU . 4.5 mm? -83.9 12.07 6.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.046 -1.034 . . . . 4.63 109.723 179.879 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 5.8 m-20 -78.1 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 2.85 109.327 -179.748 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.33 143.23 42.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.549 -1.42 . . . . 1.12 109.549 -179.867 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -60.38 144.53 50.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.441 -1.035 . . . . 2.11 109.705 -179.878 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.9 155.9 16.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.64 109.061 179.436 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.0 m-85 -138.46 -168.85 2.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.95 . . . . 0.49 109.794 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.5 p -155.08 158.15 38.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.47 109.367 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.9 tp -147.8 128.87 14.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.239 -0.913 . . . . 0.42 109.493 -179.975 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -86.85 129.37 34.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 1.81 109.662 -179.859 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.535 HD13 ' CG ' ' C' ' 341' ' ' PHE . 43.5 mt -123.95 119.19 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 0.42 109.344 179.72 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.48 149.72 42.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 2.35 109.55 179.995 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.12 135.64 6.05 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.692 -1.363 . . . . 0.41 109.692 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 tpt180 -80.26 -51.64 8.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 2.59 109.531 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.5 -44.7 85.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 2.54 109.638 -179.705 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.707 HH12 HD22 ' A' ' 348' ' ' LEU . 9.0 tpp180 -63.14 -44.84 94.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.349 -0.844 . . . . 3.39 109.683 179.941 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -53.67 -49.9 66.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.47 109.404 -179.936 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 20.7 mt-10 -52.6 -39.85 62.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 1.66 109.897 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.17 -45.47 93.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.289 -0.882 . . . . 0.61 110.245 -179.294 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.535 ' CG ' HD13 ' C' ' 332' ' ' ILE . 29.1 m-85 -61.35 -53.43 56.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.155 -0.966 . . . . 0.33 109.272 -179.89 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.78 -38.94 51.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 3.28 109.767 -179.952 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.85 -44.9 96.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 1.78 109.879 -179.687 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.04 -44.84 95.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.38 109.541 -179.717 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.4 t30 -58.09 -43.68 87.2 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.255 -0.903 . . . . 1.2 109.697 -179.983 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.15 -39.02 93.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.28 -0.887 . . . . 2.12 109.901 -179.665 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.35 -49.64 76.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.26 109.973 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.663 HD22 HH12 ' A' ' 337' ' ' ARG . 44.4 mt -61.52 -43.85 98.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.872 . . . . 0.4 109.567 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.73 -36.32 76.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 2.09 109.698 -179.941 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.8 tp -64.74 -45.61 85.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.75 109.645 -179.785 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 351' ' ' LYS . 0.6 OUTLIER -61.25 -41.6 97.17 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.35 -0.844 . . . . 2.19 109.122 179.932 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.21 -32.35 66.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.611 -0.681 . . . . 1.34 109.665 179.703 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.8 88.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.72 109.786 -179.678 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.22 -5.24 57.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.8 109.629 -179.849 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.54 -82.38 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 1.39 109.195 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 61.42 4.66 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.601 -1.399 . . . . 1.66 109.601 179.721 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 22.0 tttp -86.54 13.18 8.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -1.202 . . . . 4.45 109.658 -179.885 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.87 160.78 0.45 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 6.19 109.668 -179.844 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.55 -81.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.332 2.021 . . . . 5.58 110.318 -179.895 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.464 -1.454 . . . . 6.9 109.464 -179.952 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.563 -0.532 . . . . 7.36 109.563 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 1.9 ttpp 79.86 -25.6 0.18 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.474 -0.766 . . . . 7.15 110.892 179.813 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.33 85.97 0.17 Allowed Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 120.863 -1.148 . . . . 6.5 109.696 179.913 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -67.7 -3.9 11.17 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.256 1.971 . . . . 4.5 110.505 179.875 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.494 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.5 mm? -83.95 12.0 6.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.071 -1.018 . . . . 4.32 109.734 179.867 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 5.9 m-20 -78.15 -130.42 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.46 109.338 -179.713 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.31 143.3 42.52 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.486 -1.445 . . . . 0.97 109.486 -179.765 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -60.53 144.52 51.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -1.026 . . . . 1.67 109.702 -179.869 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -94.89 155.97 16.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 0.61 109.104 179.48 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.3 m-85 -138.49 -168.95 2.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.56 109.802 -179.718 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 16.4 p -154.97 158.33 39.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 0.43 109.336 179.987 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.9 tp -147.89 128.77 14.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.35 109.438 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.42 34.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 1.37 109.601 -179.885 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.533 HD13 ' CG ' ' D' ' 341' ' ' PHE . 43.7 mt -123.97 119.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.897 . . . . 0.48 109.32 179.694 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.56 149.75 41.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 2.08 109.52 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.09 135.63 6.03 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.688 -1.365 . . . . 0.4 109.688 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 tpt180 -80.27 -51.62 8.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -1.17 . . . . 2.64 109.511 179.953 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.51 -44.59 85.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.22 109.669 -179.676 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.651 HH12 HD22 ' B' ' 348' ' ' LEU . 9.0 tpp180 -63.36 -44.77 93.86 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.282 -0.886 . . . . 2.74 109.597 179.979 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' B' ' 329' ' ' THR . 59.2 t80 -53.64 -49.93 66.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.381 -0.824 . . . . 0.43 109.411 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 20.7 mt-10 -52.73 -39.74 62.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.269 -0.894 . . . . 1.69 109.854 -179.877 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.15 -45.46 93.33 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.204 -0.935 . . . . 0.43 110.242 -179.395 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.552 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 28.7 m-85 -61.51 -53.23 59.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.27 109.317 -179.881 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.85 -38.96 52.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.476 -0.765 . . . . 2.45 109.725 179.985 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.89 -44.79 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.18 -0.95 . . . . 1.75 109.956 -179.686 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.05 -44.85 95.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.171 -0.956 . . . . 0.31 109.527 -179.808 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' B' ' 330' ' ' LEU . 38.7 t30 -58.25 -43.58 87.9 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.276 -0.89 . . . . 1.22 109.649 -179.862 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -39.01 93.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 1.73 109.91 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.47 -49.62 76.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.28 109.899 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.711 HD22 HH12 ' B' ' 337' ' ' ARG . 43.9 mt -61.45 -43.74 98.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.31 109.612 -179.706 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.95 -36.24 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 1.91 109.582 -179.856 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.63 -45.67 85.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.43 109.722 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 1.57 109.096 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.21 -32.39 66.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.478 -0.764 . . . . 1.44 109.632 179.71 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.865 . . . . 0.64 109.845 -179.685 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -81.39 -5.09 57.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 1.21 109.608 -179.845 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -82.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 1.22 109.186 179.616 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 61.37 4.67 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.567 -1.413 . . . . 1.5 109.567 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' D' ' 357' ' ' LYS . 22.1 tttp -86.52 13.24 8.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -1.146 . . . . 4.18 109.598 -179.929 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.93 160.83 0.45 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.184 -0.947 . . . . 5.67 109.586 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.6 -81.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.28 1.987 . . . . 5.65 110.389 -179.925 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.983 -1.454 . . . . 7.27 109.54 -179.948 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 65.8 mttt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 7.33 109.534 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.19 116.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.865 . . . . 7.21 109.77 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.21 107.31 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 6.47 109.585 179.822 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.81 -82.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.904 1.736 . . . . 4.53 110.066 -179.992 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 33.2 mt -82.64 108.05 15.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.973 . . . . 4.35 109.335 179.759 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.84 161.56 25.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.27 -0.894 . . . . 2.48 109.566 -179.876 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.72 159.05 51.03 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.428 -1.469 . . . . 0.98 109.428 179.994 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -58.72 129.03 40.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.136 -1.214 . . . . 1.7 109.566 -179.896 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 18.6 m-85 -93.79 156.61 16.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 0.61 109.379 179.921 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -139.47 -172.79 3.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.58 109.463 179.802 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 2.4 p -153.22 160.99 42.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.21 -0.931 . . . . 0.42 109.476 -179.84 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.9 tp -147.75 126.82 12.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 0.36 109.507 -179.826 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.8 126.84 34.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.37 109.427 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 341' ' ' PHE . 42.8 mt -123.82 117.84 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 0.47 109.663 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.43 151.08 39.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 2.1 109.513 179.858 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.32 133.23 7.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.833 -1.307 . . . . 0.42 109.833 179.764 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.5 ttp180 -75.89 -60.09 2.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.08 . . . . 2.68 109.491 179.858 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 24.2 pt-20 -59.01 -40.81 86.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 2.22 109.671 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.23 -47.95 83.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.291 -0.881 . . . . 2.77 109.543 -179.916 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' C' ' 329' ' ' THR . 48.8 t80 -55.49 -47.82 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.413 -0.804 . . . . 0.43 109.595 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.39 -37.01 46.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.332 -0.855 . . . . 1.66 109.976 -179.761 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -62.62 -46.99 85.69 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 0.44 109.907 -179.4 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 27.1 m-85 -61.22 -51.91 67.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.29 109.328 -179.974 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.53 -38.69 46.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.541 -0.725 . . . . 2.44 109.774 179.933 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.61 -49.85 75.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.034 -1.041 . . . . 1.74 109.736 -179.754 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.54 -33.52 73.97 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.169 -0.957 . . . . 0.3 108.948 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.825 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.6 t-20 -59.34 -53.63 56.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 1.22 109.632 179.815 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.428 ' HB3' ' HE3' ' B' ' 351' ' ' LYS . 0.9 OUTLIER -62.59 -34.29 76.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.432 -0.793 . . . . 1.72 109.892 -179.565 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -48.82 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 0.27 110.075 -179.625 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 51.0 mt -61.61 -43.06 99.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -0.914 . . . . 0.29 109.793 -179.536 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -59.86 -37.73 80.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.91 109.827 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.458 HD21 ' NE2' ' B' ' 354' ' ' GLN . 9.1 tp -64.08 -44.93 90.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.41 109.775 -179.729 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -61.98 -40.31 95.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.371 -0.831 . . . . 1.56 109.182 -179.959 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.43 -33.18 65.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.587 -0.696 . . . . 1.43 109.633 179.885 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.73 64.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.66 109.544 -179.956 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' B' ' 350' ' ' LEU . 24.5 mt-30 -81.28 -2.23 48.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 1.18 109.635 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.24 -81.62 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.951 . . . . 1.23 109.582 -179.915 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.79 95.12 0.08 OUTLIER Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.686 -1.366 . . . . 1.54 109.686 -179.84 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -87.22 111.42 20.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -1.13 . . . . 4.18 109.4 179.865 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.72 147.65 8.15 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.245 -0.909 . . . . 5.71 109.613 -179.953 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.95 145.79 96.65 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.124 1.883 . . . . 5.61 110.283 179.896 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.985 -1.453 . . . . 7.24 109.553 179.972 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.387 0.613 . . . . 7.34 109.422 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.04 116.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.937 . . . . 7.17 109.717 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.2 107.23 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.44 -0.787 . . . . 6.44 109.566 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.57 -82.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.988 1.792 . . . . 4.54 110.11 179.922 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 33.3 mt -82.52 107.98 15.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 4.32 109.343 179.757 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.89 161.51 25.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 2.47 109.493 -179.858 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -67.66 158.96 51.01 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.489 -1.444 . . . . 0.95 109.489 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.75 128.96 39.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.202 -1.175 . . . . 1.61 109.618 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 18.7 m-85 -93.66 156.72 16.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.293 -0.879 . . . . 0.57 109.404 179.922 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.4 m-85 -139.66 -172.83 3.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.53 109.359 179.928 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 2.4 p -153.24 160.98 42.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.38 109.502 -179.739 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.8 tp -147.82 126.83 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 0.36 109.503 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 26.4 tt0 -86.81 126.91 34.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.312 -0.867 . . . . 1.36 109.405 179.952 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.532 HD13 ' CG ' ' B' ' 341' ' ' PHE . 42.6 mt -123.83 117.8 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.165 -0.959 . . . . 0.49 109.626 -179.984 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -74.42 151.12 39.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 2.1 109.457 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.28 133.14 7.19 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.774 -1.33 . . . . 0.44 109.774 179.666 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 38.6 ttp180 -75.86 -60.08 2.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -1.15 . . . . 2.72 109.501 179.899 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 24.1 pt-20 -58.98 -40.75 85.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.357 -0.84 . . . . 2.21 109.614 179.968 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -47.95 83.85 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.364 -0.835 . . . . 2.79 109.53 -179.86 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.1 t80 -55.36 -47.89 75.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.421 -0.799 . . . . 0.45 109.662 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.35 -37.03 45.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.36 -0.837 . . . . 1.68 110.008 -179.772 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.63 -46.91 86.06 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.177 -0.952 . . . . 0.43 109.934 -179.392 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.91 66.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.28 109.326 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.59 -38.64 46.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -0.809 . . . . 2.52 109.786 179.967 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.65 -49.79 76.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 1.75 109.806 -179.844 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.51 -33.55 74.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.19 -0.943 . . . . 0.31 108.979 179.762 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.784 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.5 t-20 -59.39 -53.58 56.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.579 -0.7 . . . . 1.21 109.627 179.782 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -34.23 76.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 1.69 109.878 -179.54 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -48.88 79.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.188 -0.945 . . . . 0.27 110.052 -179.639 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 50.6 mt -61.51 -43.23 99.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 0.3 109.746 -179.534 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.81 -37.78 80.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 1.93 109.828 -179.836 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 354' ' ' GLN . 9.0 tp -64.05 -44.97 90.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 0.4 109.809 -179.787 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 346' ' ' GLU . 13.6 ttmm -61.89 -40.39 95.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.59 109.181 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.38 -33.2 65.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.399 -0.813 . . . . 1.43 109.575 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.78 64.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.65 109.437 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD21 ' A' ' 350' ' ' LEU . 24.3 mt-30 -81.23 -2.29 48.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.318 -0.864 . . . . 1.19 109.675 -179.909 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.12 -81.66 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.22 -0.925 . . . . 1.22 109.631 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.81 95.17 0.08 OUTLIER Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.686 -1.366 . . . . 1.53 109.686 -179.838 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -87.33 111.52 21.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -1.132 . . . . 4.21 109.332 179.901 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.82 147.67 8.32 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.203 -0.936 . . . . 5.68 109.537 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.84 145.74 96.92 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.141 1.894 . . . . 5.57 110.227 179.822 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.964 -1.465 . . . . 7.2 109.541 179.878 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.314 0.578 . . . . 8.96 109.51 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.1 116.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 8.15 109.744 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.33 107.23 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 7.15 109.563 179.758 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.71 -82.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 121.905 1.737 . . . . 4.35 110.136 179.916 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -82.51 108.04 15.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.114 -0.991 . . . . 4.63 109.316 179.729 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.82 161.6 25.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.352 -0.842 . . . . 2.85 109.491 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.75 159.04 51.09 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.325 -1.51 . . . . 1.12 109.325 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -58.77 129.03 40.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.203 -1.175 . . . . 2.11 109.552 -179.915 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 18.5 m-85 -93.8 156.7 16.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.64 109.366 179.903 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.1 m-85 -139.58 -172.85 3.46 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.179 -0.951 . . . . 0.49 109.415 179.938 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 2.4 p -153.29 160.92 42.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 0.47 109.481 -179.832 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.8 tp -147.71 126.81 12.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.42 109.514 -179.847 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.7 126.73 34.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.856 . . . . 1.81 109.503 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.531 HD13 ' CG ' ' C' ' 341' ' ' PHE . 42.1 mt -123.71 117.92 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.42 109.693 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.48 151.08 39.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.374 -0.828 . . . . 2.35 109.531 179.856 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.38 133.24 7.26 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.825 -1.31 . . . . 0.41 109.825 179.723 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.5 ttp180 -75.94 -60.03 2.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -1.103 . . . . 2.59 109.511 179.856 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 336' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 24.1 pt-20 -59.09 -40.68 86.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 2.54 109.655 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.35 -47.94 83.91 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.247 -0.908 . . . . 3.39 109.465 -179.89 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.0 t80 -55.46 -47.83 75.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.47 109.601 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.39 -37.04 46.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.85 . . . . 1.66 109.996 -179.762 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.67 -46.78 86.58 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.17 -0.956 . . . . 0.61 110.014 -179.38 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 27.4 m-85 -61.35 -51.8 67.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.205 -0.934 . . . . 0.33 109.378 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.63 -38.54 46.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.437 -0.789 . . . . 3.28 109.742 179.951 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.8 -49.83 76.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 1.78 109.677 -179.728 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.49 -33.57 74.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.977 . . . . 0.38 108.93 179.827 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.792 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.6 t-20 -59.21 -53.7 55.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.404 -0.81 . . . . 1.2 109.738 179.678 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -34.24 76.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.465 -0.772 . . . . 2.12 109.873 -179.539 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.94 -48.89 79.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.26 110.063 -179.612 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 51.3 mt -61.48 -43.25 99.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.903 . . . . 0.4 109.785 -179.594 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.82 -37.67 79.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 2.09 109.81 -179.814 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.461 HD11 ' NE2' ' D' ' 354' ' ' GLN . 9.0 tp -64.16 -44.98 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.75 109.725 -179.737 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 13.6 ttmm -61.8 -40.48 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.385 -0.822 . . . . 2.19 109.241 179.978 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.29 -33.25 65.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.393 -0.817 . . . . 1.34 109.68 179.809 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.72 109.477 -179.907 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.25 -2.2 47.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.368 -0.832 . . . . 1.8 109.697 -179.972 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 1.39 109.63 -179.932 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.82 95.03 0.08 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.751 -1.34 . . . . 1.66 109.751 -179.906 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -87.11 111.47 20.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -1.131 . . . . 4.45 109.411 179.863 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.79 147.71 8.22 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 6.19 109.542 -179.957 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.99 145.74 96.59 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.174 1.916 . . . . 5.58 110.193 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.908 -1.496 . . . . 6.9 109.54 179.982 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.259 0.552 . . . . 7.36 109.521 . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.28 116.14 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.243 -0.91 . . . . 7.15 109.675 179.801 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.22 107.25 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.268 -0.895 . . . . 6.5 109.632 179.78 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.72 -82.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 121.91 1.74 . . . . 4.5 110.196 179.998 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 33.6 mt -82.61 108.03 15.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 4.32 109.333 179.66 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.86 161.48 25.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.253 -0.904 . . . . 2.46 109.557 -179.903 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.449 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.68 159.13 50.91 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.43 -1.468 . . . . 0.97 109.43 -179.947 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.85 129.04 40.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -1.184 . . . . 1.67 109.525 -179.833 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 18.2 m-85 -93.8 156.63 16.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.61 109.423 179.916 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.53 -172.8 3.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.897 . . . . 0.56 109.346 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 2.5 p -153.29 160.97 42.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.43 109.428 -179.75 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.9 tp -147.8 126.75 12.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 0.35 109.533 -179.871 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.78 126.85 34.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.37 109.395 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' D' ' 341' ' ' PHE . 42.9 mt -123.75 117.77 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.133 -0.979 . . . . 0.48 109.684 179.935 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.36 151.05 39.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.42 -0.8 . . . . 2.08 109.547 179.805 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.45 133.27 7.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.695 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.7 ttp180 -75.94 -60.11 2.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -1.15 . . . . 2.64 109.479 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 336' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 24.1 pt-20 -59.07 -40.73 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 2.22 109.602 -179.925 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.31 -48.04 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.283 -0.885 . . . . 2.74 109.456 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.31 -47.91 74.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -0.828 . . . . 0.43 109.634 179.97 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.34 -37.09 46.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.858 . . . . 1.69 110.04 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.49 -47.03 85.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.14 -0.975 . . . . 0.43 109.997 -179.467 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.9 67.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.27 109.333 -179.956 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.5 -38.63 45.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.523 -0.736 . . . . 2.45 109.757 179.94 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.77 -49.78 76.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.75 109.723 -179.692 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.39 -33.61 73.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.956 . . . . 0.31 108.976 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.804 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.6 t-20 -59.35 -53.6 56.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.391 -0.818 . . . . 1.22 109.712 179.793 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.443 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 0.9 OUTLIER -62.53 -34.39 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.835 . . . . 1.73 109.942 -179.612 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.88 -48.9 79.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.265 -0.897 . . . . 0.28 110.056 -179.593 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 50.5 mt -61.45 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.31 109.785 -179.604 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.82 -37.66 79.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 1.91 109.82 -179.85 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' C' ' 351' ' ' LYS . 9.1 tp -64.17 -44.98 90.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.43 109.76 -179.759 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -61.86 -40.42 95.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 1.57 109.214 179.987 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.26 -33.28 65.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.521 -0.737 . . . . 1.44 109.694 179.777 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.85 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.64 109.512 -179.952 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.461 ' NE2' HD11 ' C' ' 350' ' ' LEU . 25.3 mt-30 -81.25 -2.15 47.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.21 109.748 -179.949 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -81.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 1.22 109.615 -179.975 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.85 95.16 0.08 OUTLIER Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.686 -1.366 . . . . 1.5 109.686 -179.858 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -87.24 111.47 21.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -1.165 . . . . 4.18 109.392 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.83 147.69 8.33 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 5.67 109.49 -179.875 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.9 145.76 96.78 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.131 1.887 . . . . 5.65 110.297 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 117.99 -1.45 . . . . 7.27 109.606 -179.97 . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.453 -0.573 . . . . 7.33 109.453 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.569 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.1 OUTLIER 56.74 109.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 7.21 109.095 -179.738 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.99 75.67 0.64 Allowed Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.047 -1.033 . . . . 6.47 109.323 -179.556 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.25 -80.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.056 1.837 . . . . 4.53 110.157 -179.674 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.18 115.64 21.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 4.35 109.514 179.778 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.17 -118.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 2.48 109.117 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.16 156.71 52.85 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.215 -1.554 . . . . 0.98 109.215 179.837 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.86 140.77 51.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -1.155 . . . . 1.7 109.421 -179.679 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.02 152.91 19.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 0.61 109.488 -179.893 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.4 m-85 -137.69 -168.44 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.918 . . . . 0.58 109.493 -179.964 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.5 p -153.36 158.94 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.939 . . . . 0.42 109.464 -179.919 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' C' ' 345' ' ' ASN . 16.1 tp -148.06 131.43 16.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.36 109.389 -179.752 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 22.9 tt0 -86.26 131.24 34.27 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.178 -0.951 . . . . 1.37 109.504 -179.943 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.5 mt -123.76 118.76 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.129 -0.982 . . . . 0.47 109.342 179.728 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.94 147.94 44.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.92 . . . . 2.1 109.467 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.55 138.27 9.58 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.67 -1.372 . . . . 0.42 109.67 179.956 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.7 ttt180 -82.83 -59.22 2.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 2.68 109.61 179.907 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.4 82.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.282 -0.886 . . . . 2.22 109.481 179.894 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.9 tpp180 -62.31 -44.59 96.16 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.356 -0.84 . . . . 2.77 109.243 179.82 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.9 t80 -55.27 -48.69 73.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.327 -0.858 . . . . 0.43 109.502 -179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.55 -38.1 52.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.66 109.97 -179.593 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.64 87.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.209 -0.932 . . . . 0.44 110.063 -179.173 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 20.4 m-85 -60.86 -48.17 83.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 0.29 109.278 179.885 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.88 -43.38 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.434 -0.791 . . . . 2.44 109.662 179.879 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.28 -40.74 91.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.9 . . . . 1.74 110.044 -179.467 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 38.2 mt -62.99 -45.56 91.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.3 109.542 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' C' ' 330' ' ' LEU . 58.4 t30 -58.31 -46.38 86.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.276 -0.89 . . . . 1.22 109.838 -179.853 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -37.21 84.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.72 109.876 -179.673 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.29 -49.72 76.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.27 110.006 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.846 HD22 HH12 ' C' ' 337' ' ' ARG . 56.4 mt -61.08 -44.12 97.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.29 109.751 -179.571 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.02 -37.43 76.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 1.91 109.642 -179.971 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.569 HD11 ' OE1' ' B' ' 354' ' ' GLN . 11.7 tp -64.65 -40.44 95.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.315 -0.866 . . . . 0.41 109.651 -179.916 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -46.99 85.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.374 -0.829 . . . . 1.56 109.448 -179.897 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.45 -32.83 65.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.489 -0.757 . . . . 1.43 110.029 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.11 84.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.66 109.708 -179.526 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.575 ' OE1' HD11 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -82.27 -3.97 56.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 1.18 109.847 -179.809 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.52 62.04 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.089 -1.007 . . . . 1.23 109.548 -179.87 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.73 4.84 85.26 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.694 -1.362 . . . . 1.54 109.694 179.746 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -85.61 -106.62 0.05 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.065 -1.256 . . . . 4.18 109.634 -179.489 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 358' ' ' GLU . . . . . 0.554 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -51.89 -57.74 13.77 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 5.71 109.879 -179.735 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.554 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 4.2 Cg_exo -59.31 130.46 36.07 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 121.773 1.649 . . . . 5.61 110.362 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.438 -1.465 . . . . 7.24 109.438 -179.951 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.468 -0.567 . . . . 7.34 109.468 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.567 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.1 OUTLIER 56.92 108.99 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.834 . . . . 7.17 109.104 -179.773 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.08 75.73 0.63 Allowed Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 120.997 -1.064 . . . . 6.44 109.196 -179.594 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.14 -81.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.176 1.917 . . . . 4.54 110.083 -179.732 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.18 115.66 21.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 4.32 109.475 179.878 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.3 -118.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.103 -0.998 . . . . 2.47 109.093 179.934 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.52 156.74 52.28 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.293 -1.523 . . . . 0.95 109.293 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.78 140.72 50.98 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.168 -1.195 . . . . 1.61 109.488 -179.917 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -93.1 153.02 18.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.57 109.506 -179.902 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -137.7 -168.38 2.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.53 109.484 -179.968 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.3 p -153.44 158.9 42.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.263 -0.898 . . . . 0.38 109.459 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' D' ' 345' ' ' ASN . 16.0 tp -147.97 131.54 16.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.36 109.351 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 22.9 tt0 -86.35 131.17 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.327 -0.858 . . . . 1.36 109.517 -179.989 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.8 mt -123.77 118.88 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.49 109.269 179.737 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.98 147.94 44.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.253 -0.904 . . . . 2.1 109.484 179.9 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.57 138.14 9.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.621 -1.392 . . . . 0.44 109.621 179.988 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.8 ttt180 -82.77 -59.18 2.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.188 -1.184 . . . . 2.72 109.525 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.27 -39.16 82.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.374 -0.829 . . . . 2.21 109.435 179.989 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.87 HH12 HD22 ' D' ' 348' ' ' LEU . 6.8 tpp180 -62.51 -44.49 96.24 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.376 -0.828 . . . . 2.79 109.19 179.835 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.7 t80 -55.29 -48.77 73.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 0.45 109.473 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.14 52.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.828 . . . . 1.68 110.045 -179.648 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.66 87.56 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.212 -0.93 . . . . 0.43 110.092 -179.207 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.2 m-85 -60.87 -48.17 83.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.28 109.245 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.86 -43.32 59.39 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.411 -0.806 . . . . 2.52 109.736 179.874 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.35 -40.83 92.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 1.75 109.964 -179.477 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 38.3 mt -62.93 -45.5 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.31 109.601 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.501 ' HB2' HD21 ' D' ' 330' ' ' LEU . 58.6 t30 -58.38 -46.53 86.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.274 -0.891 . . . . 1.21 109.729 -179.878 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.19 84.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 1.69 109.876 -179.624 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.27 110.002 -179.646 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.899 HD22 HH12 ' D' ' 337' ' ' ARG . 57.3 mt -61.05 -44.21 97.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.3 109.78 -179.608 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -59.03 -37.33 76.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.88 . . . . 1.93 109.609 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.575 HD11 ' OE1' ' A' ' 354' ' ' GLN . 11.7 tp -64.72 -40.45 95.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.233 -0.917 . . . . 0.4 109.577 -179.875 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.85 -46.93 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.414 -0.803 . . . . 1.59 109.439 -179.905 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.53 -32.78 65.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.488 -0.757 . . . . 1.43 110.045 -179.784 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.23 84.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 0.65 109.699 -179.629 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.569 ' OE1' HD11 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -82.26 -3.97 56.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.19 109.887 -179.778 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.87 -13.62 62.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.033 -1.042 . . . . 1.22 109.481 -179.935 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 4.83 85.26 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.708 -1.357 . . . . 1.53 109.708 179.814 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.54 -106.55 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.191 -1.182 . . . . 4.21 109.77 -179.616 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.557 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -51.98 -57.67 14.1 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.918 -1.114 . . . . 5.68 109.85 -179.764 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 4.1 Cg_exo -59.38 130.47 35.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 121.804 1.67 . . . . 5.57 110.316 -179.771 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 CA-C-O 117.872 -1.515 . . . . 7.2 109.672 -179.93 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.422 -0.584 . . . . 8.96 109.422 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.561 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.1 OUTLIER 56.93 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 8.15 109.118 -179.751 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.02 75.67 0.64 Allowed Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.975 -1.078 . . . . 7.15 109.308 -179.508 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.12 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.05 1.834 . . . . 4.35 110.168 -179.767 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.9 mt -82.17 115.71 21.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.273 -0.892 . . . . 4.63 109.487 179.855 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.29 -118.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.915 . . . . 2.85 109.125 179.891 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.86 156.87 52.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.274 -1.53 . . . . 1.12 109.274 179.797 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.89 140.83 51.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -1.137 . . . . 2.11 109.426 -179.801 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.16 152.92 18.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.64 109.45 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -137.73 -168.48 2.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.278 -0.889 . . . . 0.49 109.433 -179.923 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.457 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.5 p -153.28 158.98 42.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.47 109.427 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 345' ' ' ASN . 16.1 tp -148.04 131.34 16.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.42 109.359 -179.763 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 22.9 tt0 -86.24 131.19 34.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 1.81 109.537 179.976 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.508 HD12 ' CD1' ' C' ' 338' ' ' PHE . 35.2 mt -123.63 118.73 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.42 109.342 179.759 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.93 147.94 44.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.325 -0.86 . . . . 2.35 109.459 179.995 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.54 138.22 9.56 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.8 ttt180 -82.82 -59.16 2.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -1.133 . . . . 2.59 109.62 179.951 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.11 -39.51 82.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.372 -0.83 . . . . 2.54 109.407 179.925 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.846 HH12 HD22 ' A' ' 348' ' ' LEU . 6.9 tpp180 -62.2 -44.58 96.25 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.335 -0.853 . . . . 3.39 109.267 179.823 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.508 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.37 -48.63 73.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.311 -0.868 . . . . 0.47 109.517 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.61 -38.11 53.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.333 -0.854 . . . . 1.66 109.903 -179.59 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.4 -46.68 87.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.23 -0.919 . . . . 0.61 110.074 -179.183 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -60.81 -48.23 82.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.12 -0.988 . . . . 0.33 109.296 179.888 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.91 -43.19 59.87 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.49 -0.756 . . . . 3.28 109.757 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.47 -40.74 92.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 1.78 109.971 -179.527 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' D' ' 344' ' ' LEU . 38.0 mt -62.94 -45.57 91.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.039 -1.038 . . . . 0.38 109.576 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.508 ' HB2' HD21 ' A' ' 330' ' ' LEU . 58.5 t30 -58.25 -46.52 85.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.2 109.833 -179.92 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.01 -37.27 84.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.269 -0.895 . . . . 2.12 109.866 -179.641 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.7 76.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.871 . . . . 0.26 109.925 -179.564 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 56.5 mt -61.08 -44.17 97.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.4 109.689 -179.516 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -59.0 -37.45 76.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 2.09 109.636 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.435 HD21 ' OE1' ' D' ' 354' ' ' GLN . 11.7 tp -64.61 -40.53 95.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 0.75 109.59 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -46.85 86.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.19 109.485 -179.931 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.604 -0.685 . . . . 1.34 110.087 -179.785 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.07 83.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.895 . . . . 0.72 109.742 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.524 ' OE1' HD21 ' D' ' 350' ' ' LEU . 0.6 OUTLIER -82.19 -4.06 56.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 1.8 109.875 -179.884 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.88 -13.58 62.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.039 -1.038 . . . . 1.39 109.503 -179.843 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 4.85 85.25 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.739 -1.344 . . . . 1.66 109.739 179.779 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.5 -106.66 0.05 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.044 -1.268 . . . . 4.45 109.754 -179.595 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.561 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -51.91 -57.67 14.06 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.876 -1.14 . . . . 6.19 109.967 -179.885 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.561 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 4.1 Cg_exo -59.27 130.46 36.13 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 121.875 1.716 . . . . 5.58 110.297 -179.866 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 118.023 -1.432 . . . . 6.9 109.577 179.984 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' D' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.47 -0.567 . . . . 7.36 109.47 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.569 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.1 OUTLIER 56.87 109.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 7.15 109.046 -179.711 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.97 75.68 0.64 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.952 -1.093 . . . . 6.5 109.345 -179.524 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.24 -81.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.071 1.847 . . . . 4.5 110.099 -179.708 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.7 mt -82.21 115.64 21.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 4.32 109.435 179.86 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.28 -118.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 2.46 109.101 179.9 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 156.78 52.64 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.254 -1.539 . . . . 0.97 109.254 179.864 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.85 140.8 51.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -1.17 . . . . 1.67 109.472 -179.801 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -93.05 152.92 19.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.87 . . . . 0.61 109.5 -179.96 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.7 m-85 -137.63 -168.37 2.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 0.56 109.458 -179.95 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -153.45 158.76 41.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.43 109.454 -179.851 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' B' ' 345' ' ' ASN . 16.1 tp -147.88 131.6 16.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.35 109.406 -179.775 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 22.9 tt0 -86.46 131.24 34.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 1.37 109.432 -179.974 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.2 mt -123.83 118.82 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -0.912 . . . . 0.48 109.256 179.77 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 147.84 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.907 . . . . 2.08 109.445 179.97 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.61 138.14 9.53 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.8 ttt180 -82.8 -59.19 2.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -1.148 . . . . 2.64 109.529 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.34 81.88 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.382 -0.824 . . . . 2.22 109.478 179.905 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.899 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -44.52 96.2 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.454 -0.778 . . . . 2.74 109.216 179.842 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.8 t80 -55.35 -48.74 73.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.43 109.456 -179.986 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.16 52.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 1.69 109.94 -179.594 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.56 -46.52 87.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.205 -0.934 . . . . 0.43 110.066 -179.159 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.0 m-85 -60.93 -48.18 83.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.135 -0.978 . . . . 0.27 109.21 179.85 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.9 -43.41 59.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.543 -0.723 . . . . 2.45 109.62 179.922 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.23 -40.85 91.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 1.75 109.97 -179.464 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' C' ' 344' ' ' LEU . 38.4 mt -62.95 -45.58 91.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.31 109.574 -179.755 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.522 ' HB2' HD21 ' B' ' 330' ' ' LEU . 58.7 t30 -58.26 -46.56 85.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 1.22 109.756 -179.849 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -37.2 83.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 1.73 109.861 -179.586 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.31 -49.77 76.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.28 109.925 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.87 HD22 HH12 ' B' ' 337' ' ' ARG . 57.3 mt -61.12 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.31 109.68 -179.533 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.11 -37.39 77.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.91 109.556 -179.879 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' C' ' 354' ' ' GLN . 11.8 tp -64.69 -40.44 95.39 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.287 -0.883 . . . . 0.43 109.62 -179.803 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -62.83 -46.84 86.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 1.57 109.44 -179.934 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.65 -32.8 65.72 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.56 -0.713 . . . . 1.44 109.934 -179.678 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.21 84.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.64 109.759 -179.608 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.435 ' OE1' HD21 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -82.21 -3.96 56.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.21 109.893 -179.852 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.91 -13.63 62.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 1.22 109.497 -179.857 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 4.79 85.23 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.842 -1.303 . . . . 1.5 109.842 179.713 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.54 -106.67 0.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.15 -1.206 . . . . 4.18 109.706 -179.538 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.561 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -51.93 -57.63 14.19 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.868 -1.145 . . . . 5.67 109.974 -179.849 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.561 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 4.3 Cg_exo -59.4 130.53 36.2 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.804 1.67 . . . . 5.65 110.263 -179.799 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 117.917 -1.491 . . . . 7.27 109.6 179.981 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.523 -0.547 . . . . 7.33 109.523 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 18.1 mttt 58.53 -103.58 0.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 7.21 109.544 -179.928 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.35 80.35 0.3 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 120.933 -1.105 . . . . 6.47 109.415 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.16 84.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.3 2.0 . . . . 4.53 110.626 -179.786 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.25 47.59 1.44 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.304 -0.872 . . . . 4.35 109.545 179.589 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.44 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 3.9 m-20 -78.74 -159.35 0.17 Allowed 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.385 -0.822 . . . . 2.48 109.791 -179.594 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 173.32 33.03 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.645 -1.382 . . . . 0.98 109.645 -179.642 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.95 138.26 57.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -1.146 . . . . 1.7 109.543 -179.927 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.05 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.914 . . . . 0.61 109.447 179.871 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.66 -171.44 3.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.58 109.474 -179.871 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.3 p -152.62 160.95 43.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.42 109.625 -179.799 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.52 128.57 13.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.36 109.618 -179.944 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 38.6 tt0 -86.92 126.57 34.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.37 109.473 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 49.3 mt -123.87 117.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.47 109.481 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.439 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.2 OUTLIER -73.75 149.5 41.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 2.1 109.486 179.908 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.56 134.23 7.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.754 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.3 ttp180 -78.69 -57.35 3.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -1.134 . . . . 2.68 109.583 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -44.44 91.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 2.22 109.543 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.88 -46.14 91.8 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.358 -0.839 . . . . 2.77 109.639 -179.742 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.2 t80 -54.93 -54.92 36.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.43 109.692 -179.837 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -50.29 -36.38 31.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.89 . . . . 1.66 109.963 -179.628 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.72 -47.25 84.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.117 -0.989 . . . . 0.44 109.954 -179.452 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.69 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.9 m-85 -61.32 -53.03 61.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.91 . . . . 0.29 109.267 179.942 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.448 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.88 -36.33 37.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 2.44 109.56 179.954 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.97 -45.15 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 1.74 109.898 -179.837 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' B' ' 344' ' ' LEU . 26.8 mt -61.83 -43.68 98.37 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.299 -0.876 . . . . 0.3 109.569 -179.775 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 47.5 t30 -57.88 -44.43 86.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.879 . . . . 1.22 109.569 179.86 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.25 91.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.365 -0.835 . . . . 1.72 109.663 -179.825 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.04 -46.36 88.43 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.27 109.934 -179.69 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.714 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 19.5 mt -61.5 -45.15 95.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.29 109.777 -179.765 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.56 -36.76 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.91 109.737 -179.904 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 19.6 tp -63.69 -43.1 97.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.41 109.497 -179.91 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.8 -50.09 73.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 1.56 108.743 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.9 -28.36 64.14 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.647 -0.658 . . . . 1.43 109.483 179.533 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.66 85.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.458 -0.776 . . . . 0.66 109.789 -179.463 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -83.08 -14.56 53.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.18 109.513 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -46.5 45.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.302 -0.874 . . . . 1.23 109.622 179.864 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.58 12.01 53.72 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.063 -1.215 . . . . 1.54 110.063 -179.484 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.82 117.83 24.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -1.193 . . . . 4.18 109.401 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -50.09 165.72 0.31 Allowed Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 5.71 109.688 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.94 146.07 98.19 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.17 1.913 . . . . 5.61 110.374 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 118.008 -1.44 . . . . 7.24 109.538 179.957 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.34 109.434 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 18.1 mttt 58.45 -103.66 0.18 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 7.17 109.543 179.999 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.55 80.2 0.31 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 120.936 -1.103 . . . . 6.44 109.436 179.978 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.06 84.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.379 2.052 . . . . 4.54 110.711 -179.816 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.15 47.63 1.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.893 . . . . 4.32 109.575 179.646 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.86 -159.49 0.18 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.473 -0.767 . . . . 2.47 109.821 -179.558 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.96 173.33 31.55 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.703 -1.359 . . . . 0.95 109.703 -179.745 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 138.35 57.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -1.119 . . . . 1.61 109.547 -179.974 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.06 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.182 -0.949 . . . . 0.57 109.499 179.89 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 82.4 m-85 -139.67 -171.49 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.53 109.571 -179.894 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.0 p -152.58 161.04 43.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.137 -0.977 . . . . 0.38 109.564 -179.787 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.4 tp -148.63 128.55 13.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.36 109.468 -179.833 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 38.7 tt0 -86.93 126.52 34.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 1.36 109.521 179.954 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.89 117.58 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.49 109.465 179.888 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.2 OUTLIER -73.72 149.45 41.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.194 -0.941 . . . . 2.1 109.575 179.889 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.33 7.74 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.831 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.3 ttp180 -78.76 -57.38 3.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -1.11 . . . . 2.72 109.634 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.76 -44.37 90.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.359 -0.838 . . . . 2.21 109.653 179.987 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.556 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.94 -46.11 92.0 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.295 -0.878 . . . . 2.79 109.647 -179.736 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.7 t80 -55.12 -54.81 38.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.46 -0.775 . . . . 0.45 109.646 -179.779 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -50.31 -36.35 31.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.386 -0.821 . . . . 1.68 109.922 -179.6 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.75 -47.31 84.11 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.17 -0.956 . . . . 0.43 109.883 -179.436 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.738 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.8 m-85 -61.32 -53.14 60.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.139 -0.976 . . . . 0.28 109.22 -179.993 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.462 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.67 -36.49 35.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.306 -0.871 . . . . 2.52 109.574 179.836 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.85 -45.25 95.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.771 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 344' ' ' LEU . 27.3 mt -61.81 -43.75 98.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.31 109.442 -179.718 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 47.4 t30 -57.8 -44.49 86.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.288 -0.882 . . . . 1.21 109.584 179.865 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -39.04 91.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.41 -0.806 . . . . 1.69 109.662 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.14 -46.33 88.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.27 109.959 -179.786 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 19.6 mt -61.53 -45.02 95.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.319 -0.863 . . . . 0.3 109.725 -179.732 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.79 -36.65 77.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 1.93 109.672 -179.809 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.504 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 19.8 tp -63.7 -43.19 97.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.4 109.468 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.7 -50.08 73.88 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.279 -0.888 . . . . 1.59 108.854 179.629 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.91 -28.37 64.18 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.594 -0.691 . . . . 1.43 109.384 179.52 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.65 85.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.65 109.832 -179.418 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.06 -14.54 53.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 1.19 109.443 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -46.53 45.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 1.22 109.688 179.842 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.59 12.12 53.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.071 -1.212 . . . . 1.53 110.071 -179.591 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.78 117.82 24.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.191 -1.182 . . . . 4.21 109.346 179.919 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.403 ' HB3' ' HD2' ' B' ' 359' ' ' PRO . 15.2 mt-10 -50.06 165.74 0.31 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.887 . . . . 5.68 109.617 -179.855 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -60.98 146.12 98.18 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.304 2.003 . . . . 5.57 110.296 179.924 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 CA-C-O 117.991 -1.449 . . . . 7.2 109.479 179.902 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.454 -0.572 . . . . 8.96 109.454 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 58.5 -103.67 0.18 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.31 -0.869 . . . . 8.15 109.523 -179.971 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.5 80.2 0.31 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.867 -1.145 . . . . 7.15 109.417 179.954 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.02 84.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.343 2.028 . . . . 4.35 110.616 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' C' ' 323' ' ' LEU . 19.3 mt -85.28 47.65 1.45 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 4.63 109.552 179.622 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 324' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 3.9 m-20 -78.79 -159.58 0.18 Allowed 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.389 -0.82 . . . . 2.85 109.765 -179.55 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.08 173.24 32.14 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.705 -1.358 . . . . 1.12 109.705 -179.761 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.05 138.36 57.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.332 -1.099 . . . . 2.11 109.61 -179.949 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.14 159.19 15.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.884 . . . . 0.64 109.473 179.938 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 82.3 m-85 -139.64 -171.47 3.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.49 109.506 -179.877 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.1 p -152.64 160.96 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.181 -0.949 . . . . 0.47 109.566 -179.808 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -148.5 128.58 13.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.187 -0.946 . . . . 0.42 109.514 -179.827 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 38.7 tt0 -86.96 126.58 34.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.314 -0.866 . . . . 1.81 109.47 179.959 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' C' ' 341' ' ' PHE . 49.2 mt -123.89 117.56 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.42 109.558 179.784 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.2 OUTLIER -73.67 149.46 41.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 2.35 109.524 179.913 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.27 7.72 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.813 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.3 ttp180 -78.71 -57.36 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.224 -1.162 . . . . 2.59 109.674 179.929 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.8 -44.43 90.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 2.54 109.55 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.96 -46.08 92.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.265 -0.897 . . . . 3.39 109.634 -179.65 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.06 -54.76 38.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.47 109.783 -179.905 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -50.34 -36.33 31.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 1.66 109.996 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.81 -47.2 84.46 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.139 -0.975 . . . . 0.61 109.942 -179.459 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.714 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.26 -53.17 60.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.33 109.232 179.916 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.459 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.76 -36.45 36.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.398 -0.814 . . . . 3.28 109.659 179.902 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.19 95.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.78 109.886 -179.801 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' D' ' 344' ' ' LEU . 27.1 mt -61.81 -43.69 98.35 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.38 109.525 -179.82 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 341' ' ' PHE . 47.6 t30 -57.98 -44.29 87.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 1.2 109.545 179.903 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -39.1 91.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.217 -0.927 . . . . 2.12 109.735 -179.915 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.09 -46.37 88.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.26 109.905 -179.748 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.69 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 19.6 mt -61.55 -44.99 96.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.189 -0.944 . . . . 0.4 109.754 -179.682 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.68 -36.73 77.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 2.09 109.753 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 19.5 tp -63.65 -43.34 97.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.947 . . . . 0.75 109.425 -179.914 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.64 -50.08 73.96 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.352 -0.842 . . . . 2.19 108.867 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.88 -28.28 64.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.502 0.667 . . . . 1.34 109.533 179.48 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.72 109.838 -179.515 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -82.98 -14.67 53.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.067 -1.021 . . . . 1.8 109.462 179.951 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.66 -46.55 45.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 1.39 109.612 179.909 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.61 12.02 53.79 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.977 -1.249 . . . . 1.66 109.977 -179.467 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -85.89 117.95 25.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -1.191 . . . . 4.45 109.353 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' C' C ' 358' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 15.3 mt-10 -50.15 165.76 0.31 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 6.19 109.605 -179.785 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 3.0 Cg_endo -61.02 146.15 98.13 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.187 1.925 . . . . 5.58 110.229 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 118.008 -1.44 . . . . 6.9 109.609 179.986 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.471 -0.566 . . . . 7.36 109.471 . . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 58.56 -103.68 0.18 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.269 -0.894 . . . . 7.15 109.495 -179.966 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.49 80.23 0.31 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 6.5 109.395 179.956 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.06 84.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.321 2.014 . . . . 4.5 110.64 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' D' ' 323' ' ' LEU . 19.4 mt -85.36 47.8 1.48 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.458 -0.776 . . . . 4.32 109.505 179.631 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 324' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' B' ' 333' ' ' ARG . 3.9 m-20 -78.88 -159.42 0.18 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.477 -0.765 . . . . 2.46 109.716 -179.603 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.18 173.2 32.59 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.759 -1.336 . . . . 0.97 109.759 -179.747 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.95 138.37 57.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -1.136 . . . . 1.67 109.522 -179.914 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 7.3 m-85 -94.18 159.14 15.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 0.61 109.421 179.936 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 82.3 m-85 -139.69 -171.5 3.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.56 109.571 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.0 p -152.62 160.9 43.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 0.43 109.562 -179.744 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.3 tp -148.5 128.73 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.338 -0.851 . . . . 0.35 109.429 -179.841 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 38.8 tt0 -87.01 126.56 34.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.181 -0.949 . . . . 1.37 109.471 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.5 mt -123.93 117.46 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.125 -0.985 . . . . 0.48 109.476 179.902 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.61 149.43 42.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 2.08 109.512 179.912 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.47 134.19 7.67 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.72 -1.352 . . . . 0.4 109.72 179.75 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.3 ttp180 -78.6 -57.32 3.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -1.112 . . . . 2.64 109.65 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.82 -44.25 90.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 2.22 109.666 -179.926 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -61.07 -46.03 92.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 2.74 109.705 -179.799 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.1 t80 -55.06 -54.89 37.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.801 . . . . 0.43 109.669 -179.924 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -50.32 -36.28 31.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.69 109.965 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.78 -47.38 83.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.007 -1.058 . . . . 0.43 109.824 -179.451 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.736 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.9 m-85 -61.22 -53.19 59.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.27 109.202 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.459 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.73 -36.4 36.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 2.45 109.575 179.964 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.27 95.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 1.75 109.821 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' C' ' 344' ' ' LEU . 27.4 mt -61.84 -43.65 98.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.295 -0.878 . . . . 0.31 109.478 -179.711 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' B' ' 330' ' ' LEU . 47.5 t30 -57.93 -44.45 86.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 1.22 109.525 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -39.18 91.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 1.73 109.762 -179.884 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.11 -46.37 88.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.28 109.902 -179.715 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.738 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 19.6 mt -61.47 -45.08 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 0.31 109.768 -179.707 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.66 -36.72 76.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 1.91 109.749 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.447 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 19.6 tp -63.65 -43.24 97.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.43 109.448 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.74 -50.01 74.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.57 108.87 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.98 -28.19 64.16 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 1.44 109.55 179.457 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.7 85.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.64 109.86 -179.567 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.05 -14.6 53.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.971 . . . . 1.21 109.46 179.999 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.65 45.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.22 109.674 179.855 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.97 53.65 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.126 -1.19 . . . . 1.5 110.126 -179.54 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.8 117.88 24.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.113 -1.227 . . . . 4.18 109.413 179.937 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.407 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 15.3 mt-10 -50.01 165.67 0.31 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.216 -0.928 . . . . 5.67 109.571 -179.814 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 3.0 Cg_endo -60.99 146.12 98.2 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.262 1.975 . . . . 5.65 110.291 179.966 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.076 -1.402 . . . . 7.27 109.63 179.986 . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.315 0.578 . . . . 7.33 109.547 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 11.9 tttt 61.37 -143.98 0.46 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.057 -1.027 . . . . 7.21 109.171 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.717 ' CB ' ' CD ' ' A' ' 322' ' ' PRO . 26.9 mmtt 43.27 -97.91 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.596 0 CA-C-O 117.638 -1.173 . . . . 6.47 110.303 179.922 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.717 ' CD ' ' CB ' ' A' ' 321' ' ' LYS . 1.3 Cg_endo -62.09 84.82 0.1 OUTLIER 'Trans proline' 0 N--CA 1.484 0.926 0 CA-C-N 121.001 1.393 . . . . 4.53 110.789 179.751 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 320' ' ' LYS . 8.4 mt -86.64 -0.37 56.1 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.073 -1.017 . . . . 4.35 109.563 179.286 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.57 -14.91 51.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.096 -1.003 . . . . 2.48 110.051 -179.439 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.519 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -72.48 120.18 7.48 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 119.614 -1.279 . . . . 0.98 109.922 179.874 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.16 123.12 17.82 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.601 -0.941 . . . . 1.7 109.132 179.288 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 79.0 m-85 -95.97 149.03 22.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.123 -0.986 . . . . 0.61 109.994 -179.81 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.7 m-85 -137.8 -168.89 2.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.398 -0.814 . . . . 0.58 109.361 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 65.3 p -154.18 158.98 41.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.213 -0.929 . . . . 0.42 109.621 -179.937 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 9.6 tp -147.1 128.97 15.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.206 -0.934 . . . . 0.36 109.515 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 36.9 tt0 -87.38 129.77 34.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.283 -0.885 . . . . 1.37 109.634 -179.949 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 341' ' ' PHE . 46.0 mt -123.5 120.45 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.47 109.439 179.677 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.48 41.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.211 -0.93 . . . . 2.1 109.787 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.22 138.91 4.57 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.742 -1.343 . . . . 0.42 109.742 179.695 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.2 -45.64 19.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.297 -1.119 . . . . 2.68 109.495 179.925 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.77 -46.6 87.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 2.22 109.424 179.951 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.7 ' HD2' HD13 ' C' ' 348' ' ' LEU . 6.6 tpp180 -61.29 -44.71 96.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.343 -0.848 . . . . 2.77 109.786 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' C' ' 329' ' ' THR . 24.0 t80 -54.94 -56.27 21.51 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.525 -0.734 . . . . 0.43 109.833 -179.77 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.85 -37.89 60.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.279 -0.888 . . . . 1.66 109.978 -179.642 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.7 -46.69 86.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.202 -0.936 . . . . 0.44 110.115 -179.328 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.36 -51.44 68.79 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.29 109.401 -179.847 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 10.5 ttm180 -50.93 -37.74 46.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.391 -0.818 . . . . 2.44 109.688 179.978 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.44 -46.39 90.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 1.74 110.054 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 344' ' ' LEU . 75.1 mt -61.65 -43.13 99.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.197 -0.94 . . . . 0.3 109.651 -179.682 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.33 -46.54 86.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.296 -0.878 . . . . 1.22 109.7 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.67 -37.23 85.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.72 109.879 -179.683 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -48.1 83.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.27 110.058 -179.719 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.726 HD13 ' HD2' ' C' ' 337' ' ' ARG . 51.1 mt -61.56 -44.74 96.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 0.29 109.711 -179.675 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.31 -36.44 75.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 1.91 109.458 179.97 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' B' ' 354' ' ' GLN . 15.7 tp -64.29 -41.34 96.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 0.41 109.454 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.533 ' HA ' HD22 ' B' ' 350' ' ' LEU . 1.1 ttmp? -62.32 -49.48 75.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 1.56 109.054 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -56.93 -30.74 64.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.585 -0.697 . . . . 1.43 109.718 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.65 84.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.849 . . . . 0.66 109.961 -179.593 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -81.91 -6.99 59.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.18 109.807 -179.728 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.88 -24.24 61.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.16 -0.962 . . . . 1.23 109.404 179.962 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -1.05 88.06 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.816 -1.314 . . . . 1.54 109.816 -179.918 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 121.12 28.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.081 -1.246 . . . . 4.18 109.697 -179.723 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 163.44 0.56 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 5.71 109.562 179.941 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.92 142.12 92.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.2 1.933 . . . . 5.61 110.198 179.905 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 CA-C-O 117.944 -1.476 . . . . 7.24 109.561 179.869 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.228 0.537 . . . . 7.34 109.573 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' B' ' 322' ' ' PRO . 11.9 tttt 61.27 -144.01 0.46 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.247 -0.908 . . . . 7.17 109.18 -179.866 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.708 ' CB ' ' CD ' ' B' ' 322' ' ' PRO . 27.0 mmtt 43.32 -97.97 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.607 0 CA-C-O 117.683 -1.151 . . . . 6.44 110.353 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' B' ' 321' ' ' LYS . 1.3 Cg_endo -62.05 84.77 0.1 OUTLIER 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.966 1.381 . . . . 4.54 110.877 179.763 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 320' ' ' LYS . 8.4 mt -86.68 -0.26 55.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.022 -1.049 . . . . 4.32 109.546 179.395 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -83.77 -14.09 52.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 2.47 110.065 -179.475 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -73.57 120.41 6.95 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.721 -1.351 . . . . 0.95 109.721 -179.945 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.27 123.05 17.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.557 -0.966 . . . . 1.61 109.001 179.565 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.515 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 79.4 m-85 -95.93 149.24 21.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -0.966 . . . . 0.57 109.901 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.7 m-85 -138.05 -168.97 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.398 -0.814 . . . . 0.53 109.294 179.887 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 65.5 p -154.22 158.84 40.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.197 -0.939 . . . . 0.38 109.706 -179.789 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.6 tp -147.06 129.04 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.36 109.488 -179.879 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 37.0 tt0 -87.31 129.85 34.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.848 . . . . 1.36 109.68 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' B' ' 341' ' ' PHE . 46.4 mt -123.67 120.6 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.49 109.358 179.656 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.8 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 2.1 109.717 -179.908 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.89 139.0 4.42 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.832 -1.307 . . . . 0.44 109.832 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.486 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -79.29 -45.72 19.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -1.143 . . . . 2.72 109.369 179.923 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.7 -46.6 86.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.862 . . . . 2.21 109.498 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD2' HD13 ' D' ' 348' ' ' LEU . 6.6 tpp180 -61.21 -44.76 96.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.325 -0.86 . . . . 2.79 109.814 179.975 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 24.0 t80 -54.96 -56.2 22.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.475 -0.766 . . . . 0.45 109.843 -179.738 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.94 -37.74 61.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.461 -0.774 . . . . 1.68 110.025 -179.662 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.75 -46.57 87.45 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.43 110.228 -179.419 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' B' ' 332' ' ' ILE . 28.4 m-85 -61.45 -51.48 68.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.28 109.273 -179.834 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' D' ' 330' ' ' LEU . 10.5 ttm180 -51.02 -37.73 46.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 2.52 109.655 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.39 -46.32 90.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.75 110.112 -179.58 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 344' ' ' LEU . 74.9 mt -61.68 -43.14 99.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.31 109.663 -179.721 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.4 -46.44 86.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.21 109.688 -179.942 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.76 -37.18 85.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 1.69 109.892 -179.734 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.91 -48.1 83.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.27 109.98 -179.744 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' D' ' 337' ' ' ARG . 50.9 mt -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.3 109.799 -179.729 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.25 -36.46 75.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.386 -0.821 . . . . 1.93 109.531 179.886 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 351' ' ' LYS . 15.8 tp -64.2 -41.45 97.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.363 -0.836 . . . . 0.4 109.475 179.982 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 1.1 ttmp? -62.31 -49.47 75.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.879 . . . . 1.59 109.024 179.885 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -56.92 -30.74 64.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.485 -0.759 . . . . 1.43 109.644 179.776 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.86 84.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.65 109.973 -179.652 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.494 ' OE1' HD21 ' A' ' 350' ' ' LEU . 2.2 mt-30 -81.87 -6.87 59.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.213 -0.93 . . . . 1.19 109.814 -179.643 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.91 -24.17 61.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.126 -0.984 . . . . 1.22 109.49 179.875 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.93 87.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.862 -1.295 . . . . 1.53 109.862 -179.966 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.37 121.06 28.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -1.219 . . . . 4.21 109.67 -179.696 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.25 163.34 0.55 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 5.68 109.616 179.93 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.92 142.12 92.0 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.207 1.938 . . . . 5.57 110.25 179.819 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.573 -1.411 . . . . 7.2 109.573 179.94 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.311 0.577 . . . . 8.96 109.464 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.534 ' O ' ' HD2' ' C' ' 322' ' ' PRO . 11.8 tttt 61.35 -144.05 0.46 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 8.15 109.193 -179.89 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.716 ' CB ' ' CD ' ' C' ' 322' ' ' PRO . 27.0 mmtt 43.28 -97.9 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 CA-C-O 117.637 -1.173 . . . . 7.15 110.311 -179.985 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.716 ' CD ' ' CB ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -62.16 84.78 0.1 Allowed 'Trans proline' 0 N--CA 1.483 0.88 0 CA-C-N 121.01 1.396 . . . . 4.35 110.771 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' C' ' 320' ' ' LYS . 8.3 mt -86.67 -0.24 55.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.959 -1.088 . . . . 4.63 109.547 179.357 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -83.75 -14.45 51.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.85 110.047 -179.46 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.505 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -73.08 120.34 7.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.746 -1.342 . . . . 1.12 109.746 -179.956 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.34 123.24 18.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.614 -0.933 . . . . 2.11 109.04 179.475 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.505 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 79.5 m-85 -96.09 149.21 21.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.028 . . . . 0.64 109.858 -179.702 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.9 m-85 -138.01 -168.97 2.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.49 109.358 179.854 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.8 p -154.19 158.9 41.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.47 109.616 -179.819 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tp -147.04 128.93 15.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.379 -0.825 . . . . 0.42 109.557 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.3 129.85 34.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.394 -0.816 . . . . 1.81 109.722 -179.95 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.659 HD13 ' CD2' ' C' ' 341' ' ' PHE . 46.5 mt -123.65 120.5 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.42 109.388 179.753 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.28 151.45 41.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -0.937 . . . . 2.35 109.759 -179.855 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.27 138.85 4.58 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.795 -1.322 . . . . 0.41 109.795 179.686 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -79.13 -45.78 19.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -1.137 . . . . 2.59 109.43 179.94 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.63 -46.69 86.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 2.54 109.473 179.964 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.726 ' HD2' HD13 ' A' ' 348' ' ' LEU . 6.6 tpp180 -61.2 -44.74 96.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.367 -0.833 . . . . 3.39 109.8 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' A' ' 329' ' ' THR . 23.9 t80 -54.91 -56.35 20.48 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.522 -0.737 . . . . 0.47 109.732 -179.716 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.88 -37.77 60.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.4 -0.813 . . . . 1.66 110.005 -179.573 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.68 86.97 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.925 . . . . 0.61 110.129 -179.364 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.659 ' CD2' HD13 ' C' ' 332' ' ' ILE . 28.5 m-85 -61.45 -51.37 69.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.33 109.358 -179.763 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 10.5 ttm180 -50.99 -37.74 46.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 3.28 109.686 179.923 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.48 -46.23 90.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.266 -0.896 . . . . 1.78 110.129 -179.532 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 344' ' ' LEU . 74.6 mt -61.64 -43.32 99.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.38 109.545 -179.724 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.3 t30 -58.25 -46.46 85.94 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 1.2 109.743 -179.894 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.74 -37.29 86.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 2.12 109.79 -179.649 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.89 -48.02 83.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.26 110.052 -179.71 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 337' ' ' ARG . 50.6 mt -61.53 -44.75 96.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.35 -0.844 . . . . 0.4 109.772 -179.672 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.26 -36.49 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.175 -0.953 . . . . 2.09 109.475 179.938 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' C' ' 350' ' ' LEU . 15.7 tp -64.22 -41.42 97.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.75 109.46 179.96 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.33 -49.32 76.06 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.422 -0.799 . . . . 2.19 109.089 179.909 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.93 -30.92 64.44 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.62 -0.675 . . . . 1.34 109.652 179.723 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.78 84.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.356 -0.84 . . . . 0.72 109.929 -179.583 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' D' ' 350' ' ' LEU . 2.2 mt-30 -81.92 -6.88 59.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 1.8 109.855 -179.712 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -24.12 61.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 1.39 109.347 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 -1.08 87.98 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.871 -1.291 . . . . 1.66 109.871 -179.967 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.23 121.01 28.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -1.222 . . . . 4.45 109.728 -179.685 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 163.31 0.56 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.241 -0.912 . . . . 6.19 109.656 179.939 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.8 142.13 92.59 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.261 1.974 . . . . 5.58 110.242 179.863 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.574 -1.41 . . . . 6.9 109.574 179.95 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.252 0.548 . . . . 7.36 109.538 . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' D' ' 322' ' ' PRO . 11.8 tttt 61.39 -144.06 0.45 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 7.15 109.161 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.723 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 27.1 mmtt 43.31 -97.97 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 117.775 -1.107 . . . . 6.5 110.26 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.723 ' CD ' ' CB ' ' D' ' 321' ' ' LYS . 1.3 Cg_endo -62.03 84.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.483 0.896 0 CA-C-N 120.986 1.388 . . . . 4.5 110.807 179.783 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' D' ' 320' ' ' LYS . 8.4 mt -86.81 -0.19 55.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.049 -1.032 . . . . 4.32 109.486 179.348 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.7 -14.63 51.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.304 -0.873 . . . . 2.46 109.975 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.99 120.29 7.19 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.843 -1.303 . . . . 0.97 109.843 -179.995 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.18 123.0 17.5 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.621 -0.929 . . . . 1.67 109.139 179.476 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 79.3 m-85 -95.89 149.36 21.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.95 -1.093 . . . . 0.61 109.881 -179.701 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 92.9 m-85 -138.05 -168.98 2.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.56 109.224 179.899 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.3 p -154.26 158.94 40.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.43 109.634 -179.884 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -147.07 129.03 15.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.35 109.478 -179.818 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 37.0 tt0 -87.34 129.86 34.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.37 109.631 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' D' ' 341' ' ' PHE . 45.9 mt -123.68 120.59 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.14 -0.975 . . . . 0.48 109.389 179.606 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -73.16 151.74 41.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 2.08 109.765 -179.915 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.94 138.95 4.43 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.764 -1.334 . . . . 0.4 109.764 179.765 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.21 -45.78 19.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -1.145 . . . . 2.64 109.323 179.89 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.68 -46.58 86.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.37 -0.831 . . . . 2.22 109.522 179.987 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.733 ' HD2' HD13 ' B' ' 348' ' ' LEU . 6.6 tpp180 -61.25 -44.86 96.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.295 -0.878 . . . . 2.74 109.754 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' O ' ' B' ' 329' ' ' THR . 24.0 t80 -54.79 -56.36 20.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.417 -0.802 . . . . 0.43 109.876 -179.748 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -52.78 -37.78 60.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.434 -0.791 . . . . 1.69 110.089 -179.699 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.58 87.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.43 110.214 -179.379 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.661 ' CD2' HD13 ' D' ' 332' ' ' ILE . 28.7 m-85 -61.49 -51.47 68.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.27 109.326 -179.839 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' B' ' 330' ' ' LEU . 10.5 ttm180 -50.94 -37.61 45.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 2.45 109.722 179.976 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.46 -46.29 90.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.297 -0.877 . . . . 1.75 110.141 -179.582 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' D' ' 344' ' ' LEU . 75.6 mt -61.71 -43.23 99.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.31 109.661 -179.667 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.16 -46.52 85.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 1.22 109.748 179.925 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.77 -37.29 86.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 1.73 109.79 -179.607 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -48.12 82.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.357 -0.839 . . . . 0.28 110.025 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' B' ' 337' ' ' ARG . 51.7 mt -61.5 -44.68 96.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.31 109.793 -179.689 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.36 -36.49 75.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 1.91 109.503 179.87 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' C' ' 354' ' ' GLN . 15.8 tp -64.24 -41.42 96.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 0.43 109.46 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.26 -49.46 75.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.349 -0.844 . . . . 1.57 109.044 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.91 -30.89 64.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.634 -0.666 . . . . 1.44 109.622 179.762 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.67 84.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.64 109.963 -179.605 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -81.93 -6.91 59.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.17 -0.956 . . . . 1.21 109.804 -179.687 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.03 61.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.122 -0.986 . . . . 1.22 109.449 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.7 -0.85 87.68 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.841 -1.304 . . . . 1.5 109.841 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.28 121.11 28.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -1.168 . . . . 4.18 109.72 -179.837 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 163.42 0.56 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 5.67 109.556 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.94 142.13 91.89 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.211 1.941 . . . . 5.65 110.258 179.803 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.555 -1.418 . . . . 7.27 109.555 179.902 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.517 -0.549 . . . . 7.33 109.517 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 321' ' ' LYS . 2.4 mtmt 59.03 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.248 -0.908 . . . . 7.21 109.371 179.943 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.526 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 3.9 pttp 40.74 58.42 8.15 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.449 -0.782 . . . . 6.47 110.134 -179.998 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.8 Cg_endo -60.97 164.23 14.63 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.085 1.857 . . . . 4.53 109.919 179.592 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.02 95.33 6.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.019 -1.051 . . . . 4.35 109.584 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 324' ' ' ASP . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 8.0 m-20 -82.66 -170.72 3.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.447 -0.783 . . . . 2.48 109.466 179.799 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 -179.0 20.08 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.348 -1.501 . . . . 0.98 109.348 179.661 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.12 136.64 58.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -1.198 . . . . 1.7 109.465 179.957 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 65.1 m-85 -93.3 158.81 15.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 0.61 109.355 179.938 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.4 m-85 -139.72 -169.46 2.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.58 109.523 -179.962 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -153.58 156.24 37.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.324 -0.86 . . . . 0.42 109.377 -179.854 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.432 HD13 ' HG3' ' C' ' 342' ' ' ARG . 29.1 tp -149.67 135.4 18.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.36 109.522 -179.733 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.85 134.23 33.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.37 109.499 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 341' ' ' PHE . 45.5 mt -124.05 111.4 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.47 109.571 179.96 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.38 144.0 46.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 2.1 109.494 179.833 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.44 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 100.49 140.19 11.2 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.725 -1.35 . . . . 0.42 109.725 179.809 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -79.82 -59.46 2.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -1.159 . . . . 2.68 109.473 179.866 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.81 -42.4 89.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.387 -0.82 . . . . 2.22 109.786 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 340' ' ' MET . 5.8 ttm180 -60.41 -44.09 96.06 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.364 -0.835 . . . . 2.77 109.94 -179.606 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.509 ' HA ' HG21 ' A' ' 332' ' ' ILE . 34.9 t80 -54.52 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.283 -0.886 . . . . 0.43 109.66 -179.791 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.6 -31.32 35.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 1.66 109.985 -179.848 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.453 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 2.9 ttp -65.88 -50.2 65.36 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.21 -0.931 . . . . 0.44 109.756 -179.813 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.638 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -60.59 -52.57 64.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.29 109.328 -179.941 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.438 ' HG3' HD13 ' C' ' 330' ' ' LEU . 7.6 ttm180 -50.66 -37.1 38.9 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 2.44 109.633 179.824 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.74 -45.34 94.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 1.74 109.854 -179.823 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -61.91 -44.86 95.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.3 109.604 -179.762 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.56 -45.3 85.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.321 -0.862 . . . . 1.22 109.593 179.944 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.71 -36.29 82.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 1.72 109.515 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.37 -50.5 73.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.27 109.799 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.558 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 18.8 mt -61.13 -42.36 98.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.151 -0.968 . . . . 0.29 109.601 -179.646 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.301 -0.875 . . . . 1.91 109.445 179.936 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.509 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 33.0 tp -63.9 -40.92 97.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.378 -0.826 . . . . 0.41 109.369 179.958 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -50.34 72.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.837 -0.801 . . . . 1.56 108.837 179.666 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -31.46 63.96 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.701 -0.625 . . . . 1.43 109.562 179.706 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.99 79.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.66 109.44 -179.758 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.84 -8.51 59.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.9 . . . . 1.18 109.485 179.952 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -88.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -0.907 . . . . 1.23 109.198 179.708 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.52 103.19 1.59 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.408 -1.477 . . . . 1.54 109.408 179.703 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -85.87 -153.62 0.19 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -1.21 . . . . 4.18 109.399 -179.93 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.31 133.91 17.15 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 5.71 109.269 179.97 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.7 123.62 13.37 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 121.946 1.764 . . . . 5.61 110.193 -179.871 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.978 -1.457 . . . . 7.24 109.536 179.974 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.492 -0.559 . . . . 7.34 109.492 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' B' ' 321' ' ' LYS . 2.4 mtmt 58.99 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 7.17 109.427 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 3.9 pttp 40.88 58.31 8.34 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 6.44 110.172 179.934 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.8 Cg_endo -60.95 164.17 14.73 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.142 1.895 . . . . 4.54 109.924 179.585 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.06 95.38 6.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 4.32 109.53 179.939 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 324' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 8.1 m-20 -82.62 -170.77 3.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.386 -0.821 . . . . 2.47 109.386 179.747 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 -179.1 20.35 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.3 -1.52 . . . . 0.95 109.3 179.696 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.99 136.55 57.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.138 -1.213 . . . . 1.61 109.512 179.94 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 64.2 m-85 -93.27 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.57 109.416 179.956 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 90.7 m-85 -139.7 -169.51 2.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.234 -0.916 . . . . 0.53 109.571 -179.927 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 35.0 p -153.54 156.32 37.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.207 -0.933 . . . . 0.38 109.397 -179.904 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.444 HD13 ' HG3' ' D' ' 342' ' ' ARG . 28.7 tp -149.77 135.36 18.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.202 -0.936 . . . . 0.36 109.542 -179.689 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 35.4 tt0 -85.89 134.27 33.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.36 109.476 -179.945 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.4 mt -124.01 111.41 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.49 109.598 179.942 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.43 143.98 46.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 2.1 109.522 179.823 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 100.56 140.11 11.16 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.727 -1.349 . . . . 0.44 109.727 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.505 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -79.75 -59.38 2.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -1.116 . . . . 2.72 109.463 179.954 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.88 -42.48 89.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 2.21 109.726 -179.991 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' B' ' 340' ' ' MET . 5.7 ttm180 -60.37 -44.02 95.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.302 -0.873 . . . . 2.79 109.975 -179.556 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.507 ' HA ' HG21 ' B' ' 332' ' ' ILE . 34.9 t80 -54.46 -58.27 8.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.829 . . . . 0.45 109.591 -179.819 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.46 -31.52 35.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 1.68 109.859 -179.745 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 2.9 ttp -65.81 -50.19 65.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.43 109.724 -179.721 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -60.64 -52.6 64.46 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.255 -0.903 . . . . 0.28 109.299 -179.871 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' D' ' 330' ' ' LEU . 7.7 ttm180 -50.67 -37.05 38.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.398 -0.814 . . . . 2.52 109.611 179.848 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.85 -45.13 95.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 1.75 109.957 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' A' ' 344' ' ' LEU . 72.7 mt -61.96 -44.9 95.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.31 109.605 -179.866 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.49 -45.4 84.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.214 -0.929 . . . . 1.21 109.547 179.985 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -36.26 82.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.873 . . . . 1.69 109.558 -179.885 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.46 -50.32 74.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.27 109.87 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.569 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 18.9 mt -61.32 -42.32 98.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.3 109.512 -179.645 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.54 -37.33 78.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.93 109.467 179.885 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 33.4 tp -63.86 -40.99 97.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.4 109.373 179.924 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.41 72.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.274 -0.891 . . . . 1.59 108.799 179.719 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -31.5 63.82 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.729 -0.607 . . . . 1.43 109.635 179.659 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.87 79.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.65 109.521 -179.825 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.84 -8.58 59.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 1.19 109.511 179.939 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -88.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 1.22 109.163 179.798 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.61 103.41 1.63 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.399 -1.48 . . . . 1.53 109.399 179.738 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -86.03 -153.6 0.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -1.103 . . . . 4.21 109.345 -179.873 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.36 134.07 17.42 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.196 -0.94 . . . . 5.68 109.137 -179.913 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.87 123.65 13.38 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.925 1.75 . . . . 5.57 110.168 -179.914 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.954 -1.47 . . . . 7.2 109.548 179.942 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.442 -0.577 . . . . 8.96 109.442 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' C' ' 321' ' ' LYS . 2.4 mtmt 58.98 -91.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 8.15 109.382 -179.979 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.535 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 3.8 pttp 40.76 58.46 8.18 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.402 -0.811 . . . . 7.15 110.087 -179.985 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.8 Cg_endo -61.01 164.22 14.73 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.161 1.908 . . . . 4.35 109.896 179.575 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.03 95.39 6.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 4.63 109.476 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.69 -170.79 3.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 2.85 109.416 179.721 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 -179.16 20.39 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 1.12 109.417 179.66 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.02 136.52 57.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.176 -1.191 . . . . 2.11 109.483 179.987 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -93.26 158.78 15.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.64 109.408 179.932 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.4 m-85 -139.68 -169.58 2.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.49 109.513 -179.836 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.402 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 35.2 p -153.5 156.13 37.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.232 -0.918 . . . . 0.47 109.41 -179.952 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 342' ' ' ARG . 28.7 tp -149.52 135.54 18.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.42 109.657 -179.847 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.98 134.16 33.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.955 . . . . 1.81 109.454 -179.896 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.0 mt -123.93 111.37 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.958 . . . . 0.42 109.613 179.977 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.54 144.07 46.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.218 -0.926 . . . . 2.35 109.445 179.889 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 100.5 140.13 11.17 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.776 -1.33 . . . . 0.41 109.776 179.883 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -79.8 -59.32 2.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -1.159 . . . . 2.59 109.511 179.885 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.94 -42.43 89.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 2.54 109.755 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' C' ' 340' ' ' MET . 5.7 ttm180 -60.3 -44.27 95.56 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 3.39 109.875 -179.615 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.522 ' HA ' HG21 ' C' ' 332' ' ' ILE . 35.1 t80 -54.37 -58.25 8.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.247 -0.908 . . . . 0.47 109.687 -179.699 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.4 -31.5 34.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 1.66 109.98 -179.879 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 2.8 ttp -65.75 -50.2 65.63 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.29 -0.881 . . . . 0.61 109.681 -179.736 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.54 64.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.247 -0.908 . . . . 0.33 109.333 -179.837 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.432 ' HG3' HD13 ' A' ' 330' ' ' LEU . 7.7 ttm180 -50.75 -37.03 39.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.397 -0.814 . . . . 3.28 109.531 179.871 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.7 -45.34 94.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.206 -0.934 . . . . 1.78 109.889 -179.786 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' D' ' 344' ' ' LEU . 72.6 mt -61.88 -44.9 95.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.38 109.554 -179.746 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.58 -45.34 85.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 1.2 109.544 -179.959 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.69 -36.13 81.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.287 -0.883 . . . . 2.12 109.582 -179.911 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.54 -50.31 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.26 109.886 -179.864 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.525 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 18.7 mt -61.2 -42.35 98.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.848 . . . . 0.4 109.646 -179.785 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.5 -37.37 78.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.09 109.456 179.903 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 33.2 tp -63.88 -40.93 97.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.3 -0.875 . . . . 0.75 109.376 179.994 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -50.43 72.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.383 -0.823 . . . . 2.19 108.889 179.602 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.685 -0.634 . . . . 1.34 109.589 179.698 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.83 78.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.28 -0.888 . . . . 0.72 109.491 -179.776 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.85 -8.58 59.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.903 . . . . 1.8 109.556 179.879 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -88.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.185 -0.947 . . . . 1.39 109.173 179.832 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.69 103.29 1.62 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.364 -1.494 . . . . 1.66 109.364 179.72 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -85.85 -153.63 0.19 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -1.129 . . . . 4.45 109.368 -179.872 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.35 133.98 17.38 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 6.19 109.215 179.944 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.81 123.58 13.25 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.991 1.794 . . . . 5.58 110.14 -179.817 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 117.939 -1.478 . . . . 6.9 109.573 179.978 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.457 -0.572 . . . . 7.36 109.457 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' D' ' 321' ' ' LYS . 2.4 mtmt 59.07 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -0.882 . . . . 7.15 109.389 179.966 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 3.8 pttp 40.8 58.44 8.24 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.5 -0.75 . . . . 6.5 110.087 179.941 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.8 Cg_endo -61.05 164.24 14.82 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.074 1.85 . . . . 4.5 109.931 179.606 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.04 95.33 6.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 4.32 109.545 179.948 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.62 -170.7 3.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.494 -0.754 . . . . 2.46 109.467 179.714 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.01 -179.09 20.37 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.301 -1.52 . . . . 0.97 109.301 179.724 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.02 136.61 58.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 1.67 109.499 179.878 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.26 158.79 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 0.61 109.338 179.975 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.5 m-85 -139.83 -169.6 2.75 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.17 -0.956 . . . . 0.56 109.553 -179.988 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 34.7 p -153.49 156.33 37.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.43 109.379 -179.892 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' ' 342' ' ' ARG . 28.7 tp -149.69 135.39 18.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.35 109.521 -179.639 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.3 tt0 -85.87 134.18 33.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.32 -0.862 . . . . 1.37 109.517 179.969 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.62 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.6 mt -124.03 111.34 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.48 109.592 179.961 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.36 144.04 46.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.241 -0.912 . . . . 2.08 109.487 179.843 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 100.54 140.16 11.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.734 -1.346 . . . . 0.4 109.734 179.78 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -79.87 -59.35 2.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 2.64 109.437 179.904 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.86 -42.53 89.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 2.22 109.674 -179.956 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' D' ' 340' ' ' MET . 5.8 ttm180 -60.36 -44.11 95.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.217 -0.927 . . . . 2.74 109.814 -179.474 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.526 ' HA ' HG21 ' D' ' 332' ' ' ILE . 34.7 t80 -54.55 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.961 . . . . 0.43 109.611 -179.723 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.54 -31.4 35.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.69 110.019 -179.821 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 2.9 ttp -65.91 -50.1 65.65 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.063 -1.023 . . . . 0.43 109.66 -179.734 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.62 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.63 64.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.27 109.269 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.444 ' HG3' HD13 ' B' ' 330' ' ' LEU . 7.7 ttm180 -50.62 -37.1 38.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.314 -0.866 . . . . 2.45 109.569 179.881 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.68 -45.3 94.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 1.75 109.881 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' C' ' 344' ' ' LEU . 72.3 mt -61.99 -44.95 95.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.943 . . . . 0.31 109.538 -179.659 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.44 -45.42 84.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 1.22 109.566 179.912 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.64 -36.22 82.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.432 -0.793 . . . . 1.73 109.557 -179.915 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.51 -50.29 74.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.28 109.904 -179.884 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.611 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 18.9 mt -61.25 -42.31 98.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.848 . . . . 0.31 109.625 -179.763 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.62 -37.16 77.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.91 109.466 179.921 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 33.4 tp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.313 -0.867 . . . . 0.43 109.325 -179.964 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -50.33 72.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.796 -0.816 . . . . 1.57 108.796 179.677 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -31.38 64.06 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.609 -0.682 . . . . 1.44 109.624 179.746 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.0 79.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.64 109.519 -179.9 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.8 -8.65 59.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.21 109.569 179.877 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.41 -88.38 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.163 -0.961 . . . . 1.22 109.149 179.795 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.73 103.27 1.62 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.376 -1.49 . . . . 1.5 109.376 179.761 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -85.91 -153.67 0.19 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -1.185 . . . . 4.18 109.423 -179.932 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.21 133.95 16.39 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.218 -0.926 . . . . 5.67 109.204 -179.95 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.8 123.61 13.32 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.044 1.83 . . . . 5.65 110.157 -179.862 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.5 -1.44 . . . . 7.27 109.5 179.946 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 320' ' ' LYS . 20.8 mttt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.33 -0.618 . . . . 7.33 109.33 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 319' ' ' LYS . 0.1 OUTLIER 59.08 111.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 7.21 109.2 -179.775 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 14.5 mttm 59.06 94.07 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 6.47 109.389 179.976 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.8 -80.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 121.956 1.771 . . . . 4.53 109.964 179.892 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.79 113.85 20.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 4.35 109.52 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.78 161.75 25.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 2.48 109.326 179.813 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 153.35 52.89 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.376 -1.489 . . . . 0.98 109.376 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.26 131.32 50.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.204 -1.174 . . . . 1.7 109.461 -179.684 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.82 154.43 17.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -0.915 . . . . 0.61 109.505 -179.92 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.6 m-85 -138.14 -169.39 2.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.164 -0.96 . . . . 0.58 109.675 179.93 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.2 p -154.0 157.5 39.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.42 109.226 -179.757 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.7 tp -149.26 130.28 14.4 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.18 -0.95 . . . . 0.36 109.388 -179.941 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.4 tt0 -86.61 132.76 33.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 1.37 109.369 179.794 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.595 HD12 ' CD1' ' A' ' 338' ' ' PHE . 28.4 mt -124.11 116.17 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.179 -0.951 . . . . 0.47 109.555 179.768 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.04 42.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.482 -0.761 . . . . 2.1 109.174 179.671 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.77 134.72 7.48 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.754 -1.338 . . . . 0.42 109.754 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -77.38 -63.35 1.39 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.243 -1.151 . . . . 2.68 109.34 -179.924 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.13 -38.21 76.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.391 -0.818 . . . . 2.22 109.819 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.775 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -63.06 -46.1 89.05 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.236 -0.915 . . . . 2.77 109.548 -179.867 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 332' ' ' ILE . 53.9 t80 -53.47 -51.05 63.98 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.313 -0.867 . . . . 0.43 109.677 -179.861 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -52.49 -39.21 60.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.31 -0.869 . . . . 1.66 110.06 -179.735 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -61.89 -47.97 82.58 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.186 -0.946 . . . . 0.44 110.232 -179.115 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 25.0 m-85 -60.34 -54.55 44.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.166 -0.959 . . . . 0.29 109.239 -179.808 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.25 -36.32 30.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.357 -0.839 . . . . 2.44 109.367 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.31 -48.35 81.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 1.74 109.707 -179.896 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.63 -40.64 92.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -0.898 . . . . 0.3 109.407 -179.534 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 44.4 t30 -58.11 -47.74 82.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.327 -0.858 . . . . 1.22 109.491 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.09 -35.2 79.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.84 . . . . 1.72 109.872 -179.656 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -49.36 77.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.27 109.839 -179.709 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.884 HD22 HH12 ' C' ' 337' ' ' ARG . 46.5 mt -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.29 109.802 -179.82 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.4 -37.63 81.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 1.91 109.624 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.723 HD21 ' OE1' ' B' ' 354' ' ' GLN . 8.8 tp -63.87 -44.19 93.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.41 109.667 -179.593 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HA ' HD22 ' B' ' 350' ' ' LEU . 35.0 ttmt -62.26 -42.42 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 1.56 109.063 179.986 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.86 -32.03 63.29 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.601 -0.687 . . . . 1.43 109.546 179.725 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.96 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.214 -0.929 . . . . 0.66 109.525 -179.939 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.656 ' OE1' HD21 ' B' ' 350' ' ' LEU . 3.1 mt-30 -81.27 -2.66 49.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 1.18 109.595 179.929 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -62.17 1.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.139 -0.975 . . . . 1.23 109.421 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.24 -1.05 63.02 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.864 -1.294 . . . . 1.54 109.864 -179.858 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.69 129.07 35.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -1.234 . . . . 4.18 109.463 179.907 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.16 145.01 7.41 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 5.71 109.459 -179.748 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.39 -3.05 9.32 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.235 1.957 . . . . 5.61 110.862 -179.905 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 N-CA-C 109.42 -1.472 . . . . 7.24 109.42 -179.978 . . . . . . . . 0 0 . 1 . 072 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 320' ' ' LYS . 20.6 mttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.361 0.6 . . . . 7.34 109.405 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 319' ' ' LYS . 0.1 OUTLIER 59.09 111.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 7.17 109.284 -179.835 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 59.19 94.03 0.05 OUTLIER Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.835 . . . . 6.44 109.29 179.962 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.64 -81.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.035 1.823 . . . . 4.54 109.911 179.882 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.66 113.64 19.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.238 -0.914 . . . . 4.32 109.68 179.749 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.76 161.51 25.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 2.47 109.455 179.774 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.1 153.38 52.9 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.525 -1.43 . . . . 0.95 109.525 179.875 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.45 131.21 50.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -1.199 . . . . 1.61 109.524 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.84 154.41 17.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -0.933 . . . . 0.57 109.49 -179.873 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.5 m-85 -138.2 -169.4 2.57 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.151 -0.968 . . . . 0.53 109.741 179.878 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.2 p -153.9 157.62 39.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.285 -0.884 . . . . 0.38 109.276 -179.742 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.6 tp -149.33 130.22 14.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.36 109.537 -179.983 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.59 132.45 33.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -0.871 . . . . 1.36 109.434 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' B' ' 338' ' ' PHE . 27.7 mt -124.06 115.98 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.49 109.594 179.913 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.77 139.31 43.25 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.454 -0.779 . . . . 2.1 109.267 179.684 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.41 134.93 7.63 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.766 -1.333 . . . . 0.44 109.766 179.908 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -77.46 -63.47 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.349 -1.089 . . . . 2.72 109.339 179.918 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.79 . . . . 2.21 109.84 -179.62 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' D' ' 348' ' ' LEU . 11.2 tpp180 -62.95 -46.02 89.74 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.252 -0.905 . . . . 2.79 109.635 -179.816 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.601 ' CD1' HD12 ' B' ' 332' ' ' ILE . 53.9 t80 -53.55 -51.03 64.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.298 -0.876 . . . . 0.45 109.719 -179.884 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.43 -39.2 60.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.904 . . . . 1.68 110.095 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -61.79 -47.93 82.9 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.104 -0.998 . . . . 0.43 110.31 -179.151 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.659 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 24.8 m-85 -60.48 -54.68 42.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.28 109.06 -179.8 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.07 -36.58 29.84 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.52 109.39 179.769 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.16 -48.27 82.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.75 109.782 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.58 -40.58 92.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.31 109.427 -179.553 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.441 ' HB2' HD21 ' D' ' 330' ' ' LEU . 43.8 t30 -58.21 -48.03 81.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.276 -0.89 . . . . 1.21 109.455 179.721 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.8 -35.15 78.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -0.807 . . . . 1.69 110.054 -179.718 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.66 -49.49 77.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.27 109.757 -179.743 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.802 HD22 HH12 ' D' ' 337' ' ' ARG . 48.2 mt -62.14 -41.36 98.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.3 109.614 -179.641 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.44 -37.61 81.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 1.93 109.701 -179.995 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.656 HD21 ' OE1' ' A' ' 354' ' ' GLN . 8.8 tp -63.91 -44.15 93.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.4 109.661 -179.716 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -62.25 -42.67 99.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.217 -0.927 . . . . 1.59 108.961 179.965 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.64 -32.1 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.574 -0.703 . . . . 1.43 109.558 179.732 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.84 81.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.65 109.539 -179.812 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.723 ' OE1' HD21 ' A' ' 350' ' ' LEU . 3.2 mt-30 -81.21 -2.78 50.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.19 109.664 179.835 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -62.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 1.22 109.445 -179.98 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.1 -1.1 62.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.839 -1.304 . . . . 1.53 109.839 -179.785 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' B' ' 354' ' ' GLN . 0.0 OUTLIER -86.66 129.12 34.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.097 -1.237 . . . . 4.21 109.379 179.881 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' B' B ' 358' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 359' ' ' PRO . 2.0 mt-10 -49.31 145.05 7.82 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 5.68 109.462 -179.825 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 358' ' ' GLU . 1.1 Cg_endo -67.36 -3.13 9.43 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.148 1.899 . . . . 5.57 110.813 -179.966 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.42 -1.472 . . . . 7.2 109.42 -179.928 . . . . . . . . 0 0 . 1 . 072 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 320' ' ' LYS . 20.8 mttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.423 0.63 . . . . 8.96 109.383 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 319' ' ' LYS . 0.1 OUTLIER 59.07 111.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 8.15 109.242 -179.879 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 58.95 94.11 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 7.15 109.427 -179.943 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.73 -81.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.027 1.818 . . . . 4.35 109.885 179.953 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.78 113.58 19.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 4.63 109.581 179.896 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.78 161.65 25.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.197 -0.94 . . . . 2.85 109.273 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.22 153.39 52.91 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.455 -1.458 . . . . 1.12 109.455 179.862 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -59.38 131.27 50.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.105 -1.232 . . . . 2.11 109.503 -179.813 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.81 154.24 17.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 0.64 109.481 -179.89 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.0 m-85 -138.03 -169.44 2.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.49 109.665 179.967 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.3 p -154.01 157.54 39.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 0.47 109.283 -179.842 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.32 130.06 14.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.161 -0.962 . . . . 0.42 109.464 -179.956 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.43 132.57 33.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.302 -0.874 . . . . 1.81 109.423 179.909 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.592 HD12 ' CD1' ' C' ' 338' ' ' PHE . 27.3 mt -123.94 116.11 47.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.205 -0.934 . . . . 0.42 109.582 179.868 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.0 139.08 42.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.375 -0.828 . . . . 2.35 109.244 179.576 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.72 134.94 7.56 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.725 -1.35 . . . . 0.41 109.725 179.898 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -77.66 -63.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -1.108 . . . . 2.59 109.392 179.933 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.14 -38.17 76.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -0.833 . . . . 2.54 109.769 -179.659 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.884 HH12 HD22 ' A' ' 348' ' ' LEU . 11.2 tpp180 -63.23 -46.1 88.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.206 -0.934 . . . . 3.39 109.58 -179.835 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.592 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -53.52 -50.95 64.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.367 -0.833 . . . . 0.47 109.68 -179.856 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -52.49 -39.16 60.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.842 . . . . 1.66 110.108 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.02 -47.78 83.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.233 -0.917 . . . . 0.61 110.238 -179.106 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.666 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 25.2 m-85 -60.52 -54.67 42.68 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.33 109.176 -179.858 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -50.08 -36.39 29.1 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.372 -0.83 . . . . 3.28 109.363 179.733 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -48.42 81.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.78 109.777 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' D' ' 344' ' ' LEU . 91.1 mt -60.28 -40.61 91.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 0.38 109.472 -179.574 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' A' ' 330' ' ' LEU . 43.6 t30 -58.33 -47.96 82.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.339 -0.851 . . . . 1.2 109.485 179.757 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.64 -35.46 79.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 2.12 109.913 -179.795 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.48 -49.51 77.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.264 -0.898 . . . . 0.26 109.822 -179.652 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.775 HD22 HH12 ' A' ' 337' ' ' ARG . 49.0 mt -62.2 -41.34 98.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.344 -0.848 . . . . 0.4 109.635 -179.624 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.44 -37.47 81.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.09 109.634 -179.955 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.58 HD23 HD23 ' D' ' 350' ' ' LEU . 8.8 tp -64.0 -44.29 93.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.75 109.73 -179.666 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.19 -42.43 99.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.277 -0.889 . . . . 2.19 109.003 179.951 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.83 -32.06 63.25 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.599 -0.688 . . . . 1.34 109.544 179.724 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.83 81.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.274 -0.891 . . . . 0.72 109.524 -179.872 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.771 ' OE1' HD21 ' D' ' 350' ' ' LEU . 3.2 mt-30 -81.21 -2.81 50.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.884 . . . . 1.8 109.703 179.876 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.12 -62.13 1.51 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.084 -1.01 . . . . 1.39 109.468 -179.967 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.03 62.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 109.881 -1.288 . . . . 1.66 109.881 -179.932 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -86.87 129.15 35.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.13 -1.218 . . . . 4.45 109.279 179.928 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.24 145.08 7.59 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 6.19 109.524 -179.798 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.5 -2.94 9.21 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.147 1.898 . . . . 5.58 110.795 -179.868 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.418 -1.473 . . . . 6.9 109.418 -179.977 . . . . . . . . 0 0 . 1 . 072 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' D' ' 320' ' ' LYS . 21.2 mttt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.353 -0.61 . . . . 7.36 109.353 . . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' D' ' 319' ' ' LYS . 0.1 OUTLIER 58.91 111.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.865 . . . . 7.15 109.316 -179.749 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 14.5 mttm 59.17 94.13 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 6.5 109.313 179.954 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.72 -81.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.088 1.859 . . . . 4.5 109.904 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.74 113.57 19.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.888 . . . . 4.32 109.595 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 161.69 25.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 2.46 109.427 179.895 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 153.37 52.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.292 -1.523 . . . . 0.97 109.292 179.948 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.44 131.29 50.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.238 -1.154 . . . . 1.67 109.545 -179.86 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -94.86 154.44 17.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.257 -0.902 . . . . 0.61 109.505 -179.859 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -138.26 -169.34 2.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.56 109.595 179.976 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.2 p -154.09 157.49 39.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.353 -0.842 . . . . 0.43 109.277 -179.695 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.6 tp -149.31 130.16 14.24 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.099 -1.0 . . . . 0.35 109.5 -179.935 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.51 132.7 33.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 1.37 109.401 179.927 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.593 HD12 ' CD1' ' D' ' 338' ' ' PHE . 27.8 mt -124.07 116.2 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 0.48 109.572 179.823 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.96 139.13 42.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 2.08 109.181 179.648 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.56 134.6 7.5 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.706 -1.358 . . . . 0.4 109.706 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -77.34 -63.53 1.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.316 -1.108 . . . . 2.64 109.292 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.88 -38.32 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.371 -0.831 . . . . 2.22 109.833 -179.612 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.802 HH12 HD22 ' B' ' 348' ' ' LEU . 11.2 tpp180 -63.06 -46.15 88.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.227 -0.92 . . . . 2.74 109.56 -179.886 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.3 t80 -53.43 -50.93 64.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.349 -0.844 . . . . 0.43 109.729 -179.93 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -52.58 -39.15 61.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.875 . . . . 1.69 110.016 -179.732 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.9 -47.99 82.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.238 -0.914 . . . . 0.43 110.3 -179.094 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 25.0 m-85 -60.35 -54.57 44.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.145 -0.972 . . . . 0.27 109.224 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.2 -36.51 31.0 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.45 109.304 179.697 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.27 -48.22 82.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 1.75 109.713 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 344' ' ' LEU . 91.6 mt -60.67 -40.56 92.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.865 . . . . 0.31 109.413 -179.52 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.429 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.3 t30 -58.31 -47.8 82.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 1.22 109.507 179.802 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -35.29 79.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 1.73 109.868 -179.782 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.52 -49.58 76.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.28 109.84 -179.698 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' B' ' 337' ' ' ARG . 49.3 mt -62.16 -41.26 98.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.31 109.692 -179.715 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.51 -37.42 81.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.139 -0.976 . . . . 1.91 109.746 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.771 HD21 ' OE1' ' C' ' 354' ' ' GLN . 8.9 tp -63.94 -44.3 93.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.43 109.711 -179.806 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.22 -42.61 99.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.57 109.016 179.923 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.71 -31.98 62.94 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.537 -0.727 . . . . 1.44 109.57 179.698 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.98 81.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.91 . . . . 0.64 109.489 -179.878 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.568 ' OE1' HD21 ' C' ' 350' ' ' LEU . 3.2 mt-30 -81.14 -2.71 49.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.21 109.693 179.898 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -62.2 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.113 -0.992 . . . . 1.22 109.437 -179.963 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.23 -0.94 62.69 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.856 -1.298 . . . . 1.5 109.856 -179.856 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 129.03 35.04 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -1.212 . . . . 4.18 109.34 179.934 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 358' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' D' ' 359' ' ' PRO . 2.0 mt-10 -49.24 145.14 7.51 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.254 -0.904 . . . . 5.67 109.541 -179.751 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' ' 358' ' ' GLU . 1.1 Cg_endo -67.63 -2.68 8.88 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.298 1.999 . . . . 5.65 110.845 -179.919 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.415 0 CA-C-O 117.9 -1.5 . . . . 7.27 109.44 -179.945 . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 320' ' ' LYS . 11.8 mttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.485 -0.561 . . . . 7.33 109.485 . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 20.4 tttt 70.46 -79.71 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.564 -0.71 . . . . 7.21 109.986 179.951 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 12.0 pttm 42.93 75.14 0.67 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 6.47 109.863 -179.73 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.406 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 5.2 Cg_endo -71.41 14.68 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.726 2.284 . . . . 4.53 111.472 179.488 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.77 34.42 0.44 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.538 -1.352 . . . . 4.35 110.401 -179.769 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.9 -80.11 0.13 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.051 -1.03 . . . . 2.48 109.515 179.886 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.54 143.0 37.99 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.753 -1.339 . . . . 0.98 109.753 -179.909 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.97 147.13 44.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -1.04 . . . . 1.7 109.629 179.92 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' OH ' ' HB2' ' A' ' 322' ' ' PRO . 10.4 m-85 -94.87 154.68 17.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.61 109.453 179.897 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.3 m-85 -140.47 -171.89 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 0.58 109.58 -179.934 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 6.1 p -153.24 159.63 42.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.42 109.383 -179.799 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.5 tp -149.1 130.59 14.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.36 109.597 -179.791 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.264 -0.898 . . . . 1.37 109.452 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.4 mt -124.02 119.05 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.973 . . . . 0.47 109.701 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 12.9 ttt180 -74.02 154.29 39.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.1 109.5 179.774 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.69 137.11 4.21 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.876 -1.29 . . . . 0.42 109.876 179.679 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.91 -52.24 7.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -1.201 . . . . 2.68 109.388 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -58.02 -46.22 85.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 2.22 109.276 179.858 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.56 -40.87 93.18 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.303 -0.873 . . . . 2.77 109.337 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' C' ' 329' ' ' THR . 41.4 t80 -55.39 -55.58 30.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 0.43 109.564 -179.948 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.22 -32.5 24.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.324 -0.86 . . . . 1.66 109.865 -179.788 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 8.9 ttp -64.24 -50.81 66.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.2 -0.937 . . . . 0.44 109.953 -179.616 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.533 ' HB2' HD13 ' A' ' 332' ' ' ILE . 42.9 m-85 -61.14 -55.93 26.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.29 109.214 -179.931 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.22 -33.46 27.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 2.44 109.437 179.766 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 340' ' ' MET . 1.6 tt0 -61.27 -50.18 74.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.318 -0.864 . . . . 1.74 109.555 -179.892 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' B' ' 344' ' ' LEU . 87.9 mt -61.37 -35.04 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 0.3 108.967 179.728 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.45 65.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 1.22 109.435 179.599 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.81 -32.6 73.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.413 -0.804 . . . . 1.72 109.791 -179.866 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.48 -52.79 63.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.171 -0.956 . . . . 0.27 109.923 -179.692 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.425 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 32.4 mt -61.16 -43.01 99.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.29 109.544 -179.652 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.54 -35.62 74.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 1.91 109.658 -179.966 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.81 -43.22 93.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.281 -0.887 . . . . 0.41 109.24 179.943 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.1 ttmm -61.43 -47.76 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.89 -0.782 . . . . 1.56 108.89 179.751 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.76 -30.88 65.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.504 -0.747 . . . . 1.43 109.352 179.574 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.99 -33.37 75.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.454 -0.779 . . . . 0.66 109.608 -179.817 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.65 -11.58 58.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 1.18 109.381 179.912 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.35 38.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 1.23 109.594 179.932 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.76 8.31 66.43 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.951 -1.26 . . . . 1.54 109.951 -179.75 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.92 -89.22 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.244 . . . . 4.18 109.484 -179.949 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -51.92 151.8 6.07 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.134 -0.979 . . . . 5.71 109.592 -179.977 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.7 141.9 92.29 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.124 1.882 . . . . 5.61 110.246 179.839 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.958 -1.468 . . . . 7.24 109.553 179.929 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' B' ' 320' ' ' LYS . 11.8 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.437 -0.579 . . . . 7.34 109.437 . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 20.3 tttt 70.34 -79.67 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.467 -0.77 . . . . 7.17 109.997 179.889 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 12.1 pttm 42.97 75.1 0.67 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 6.44 109.857 -179.732 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 5.3 Cg_endo -71.23 14.53 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.794 2.329 . . . . 4.54 111.51 179.409 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.79 34.46 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.614 -1.303 . . . . 4.32 110.427 -179.701 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.98 -79.88 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.079 -1.013 . . . . 2.47 109.499 179.907 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.79 143.0 37.57 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.768 -1.333 . . . . 0.95 109.768 -179.916 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.88 147.24 43.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.442 -1.034 . . . . 1.61 109.558 179.954 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' B' ' 322' ' ' PRO . 10.3 m-85 -95.03 154.62 17.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 0.57 109.459 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -140.35 -171.94 3.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.53 109.601 -179.888 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 6.1 p -153.2 159.71 42.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.38 109.431 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -149.1 130.57 14.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.36 109.562 -179.718 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.46 129.9 34.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 1.36 109.499 -179.983 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.4 mt -124.04 118.97 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.013 . . . . 0.49 109.682 179.948 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 12.9 ttt180 -73.97 154.28 39.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 2.1 109.508 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.66 137.09 4.19 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.677 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.8 -52.32 7.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -1.124 . . . . 2.72 109.444 179.816 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.98 -46.17 85.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.21 109.316 179.862 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -40.96 93.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.381 -0.824 . . . . 2.79 109.385 179.872 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.16 -55.65 28.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.745 . . . . 0.45 109.627 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -51.33 -32.46 25.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -0.838 . . . . 1.68 109.812 -179.758 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.78 66.7 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.668 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' B' ' 332' ' ' ILE . 42.7 m-85 -61.08 -55.96 26.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.352 -0.843 . . . . 0.28 109.226 -179.893 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.33 -33.32 28.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.406 -0.809 . . . . 2.52 109.464 179.792 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.28 -50.3 73.57 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.19 -0.944 . . . . 1.75 109.502 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' A' ' 344' ' ' LEU . 88.4 mt -61.32 -34.98 76.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.31 109.029 179.704 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.5 t-20 -58.94 -52.42 65.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.402 -0.811 . . . . 1.21 109.318 179.608 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.9 -32.53 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.452 -0.78 . . . . 1.69 109.751 -179.775 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.65 -52.64 64.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.27 109.868 -179.619 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.44 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 32.6 mt -61.22 -42.97 99.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 0.3 109.541 -179.727 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.54 -35.74 74.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.93 109.57 -179.951 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.699 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.87 -43.07 94.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.368 -0.832 . . . . 0.4 109.258 -179.954 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.2 ttmm -61.43 -47.8 84.1 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.891 -0.781 . . . . 1.59 108.891 179.746 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.71 -30.88 65.89 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.599 -0.688 . . . . 1.43 109.392 179.522 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.32 75.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.65 109.52 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.72 -11.52 58.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.217 -0.927 . . . . 1.19 109.352 179.923 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.04 -5.28 37.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.142 -0.974 . . . . 1.22 109.718 179.795 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.84 8.36 66.48 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.959 -1.257 . . . . 1.53 109.959 -179.759 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -85.9 -89.16 0.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.237 . . . . 4.21 109.53 -179.944 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.09 151.78 6.43 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.283 -0.886 . . . . 5.68 109.57 -179.97 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.64 141.9 92.63 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.188 1.925 . . . . 5.57 110.237 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.992 -1.449 . . . . 7.2 109.558 179.899 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' C' ' 320' ' ' LYS . 11.9 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.434 -0.58 . . . . 8.96 109.434 . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 20.5 tttt 70.38 -79.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.552 -0.718 . . . . 8.15 109.971 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 12.1 pttm 42.85 75.16 0.66 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 7.15 109.839 -179.706 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 5.2 Cg_endo -71.42 14.84 0.36 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.693 2.262 . . . . 4.35 111.536 179.42 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.89 34.45 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.694 -1.254 . . . . 4.63 110.374 -179.798 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.95 -80.0 0.14 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 2.85 109.55 179.807 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 143.08 38.03 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.74 -1.344 . . . . 1.12 109.74 -179.929 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.95 147.09 44.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.512 -0.993 . . . . 2.11 109.603 179.913 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' C' ' 322' ' ' PRO . 10.4 m-85 -94.87 154.62 17.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.64 109.585 179.804 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.8 m-85 -140.38 -171.93 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.105 -0.997 . . . . 0.49 109.636 -179.898 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 6.3 p -153.22 159.55 42.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.279 -0.888 . . . . 0.47 109.465 -179.834 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -149.08 130.67 14.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.42 109.541 -179.789 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.5 129.89 34.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.81 109.487 -179.996 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 41.9 mt -124.07 119.02 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.187 -0.946 . . . . 0.42 109.679 179.899 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 12.9 ttt180 -73.99 154.37 39.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 2.35 109.567 179.748 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.59 137.07 4.14 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.917 -1.273 . . . . 0.41 109.917 179.78 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.77 -52.39 7.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.106 . . . . 2.59 109.437 179.802 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.92 -46.27 85.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 2.54 109.225 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -40.99 93.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.31 -0.869 . . . . 3.39 109.284 179.952 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -55.18 -55.67 28.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 0.47 109.579 -179.937 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.36 -32.4 25.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 1.66 109.849 -179.718 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 8.8 ttp -64.23 -50.74 66.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.139 -0.976 . . . . 0.61 110.01 -179.682 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' C' ' 332' ' ' ILE . 42.8 m-85 -61.07 -56.08 25.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.33 109.172 -179.956 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.09 -33.38 25.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 3.28 109.553 179.749 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' C' ' 340' ' ' MET . 1.6 tt0 -61.34 -50.21 73.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.904 . . . . 1.78 109.519 -179.889 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' D' ' 344' ' ' LEU . 87.8 mt -61.49 -34.8 76.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.226 -0.921 . . . . 0.38 109.0 179.815 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.5 t-20 -59.01 -52.43 65.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.382 -0.823 . . . . 1.2 109.422 179.487 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.76 -32.68 73.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.371 -0.831 . . . . 2.12 109.817 -179.89 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -52.68 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.26 109.942 -179.658 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.426 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 32.8 mt -61.31 -42.89 99.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 0.4 109.571 -179.726 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.49 -35.71 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 2.09 109.598 179.953 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.92 -43.08 93.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.75 109.278 -179.941 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -61.33 -47.78 84.33 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.45 -0.781 . . . . 2.19 108.992 179.626 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.79 -30.81 65.98 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.567 -0.708 . . . . 1.34 109.408 179.549 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -33.31 75.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.469 -0.769 . . . . 0.72 109.524 -179.773 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -82.62 -11.62 58.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.8 109.376 179.864 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.02 -5.29 37.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.928 . . . . 1.39 109.64 179.865 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.82 8.25 66.83 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.905 -1.278 . . . . 1.66 109.905 -179.678 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.83 -89.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.241 . . . . 4.45 109.504 -179.933 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.91 151.86 5.99 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 6.19 109.552 179.988 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.77 141.88 91.86 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.139 1.893 . . . . 5.58 110.246 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.01 -1.439 . . . . 6.9 109.517 179.921 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' D' ' 320' ' ' LYS . 11.8 mttp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.495 -0.557 . . . . 7.36 109.495 . . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 20.4 tttt 70.3 -79.56 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.55 -0.719 . . . . 7.15 109.958 179.879 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 12.1 pttm 42.74 75.16 0.66 Allowed Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.229 -0.92 . . . . 6.5 109.913 -179.634 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.407 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.2 Cg_endo -71.27 14.61 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.721 2.281 . . . . 4.5 111.502 179.436 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.7 34.32 0.44 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.671 -1.268 . . . . 4.32 110.467 -179.746 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.89 -80.1 0.13 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.169 -0.957 . . . . 2.46 109.519 179.964 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.57 143.09 38.1 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.749 -1.34 . . . . 0.97 109.749 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.93 147.19 44.1 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.471 -1.017 . . . . 1.67 109.575 179.894 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' D' ' 322' ' ' PRO . 10.4 m-85 -94.99 154.52 17.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.61 109.565 179.795 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 66.9 m-85 -140.32 -171.9 3.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 0.56 109.537 -179.873 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 6.1 p -153.22 159.6 42.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.43 109.439 -179.819 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.2 tp -149.08 130.56 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.35 109.62 -179.804 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 129.96 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.343 -0.848 . . . . 1.37 109.517 179.96 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' D' ' 341' ' ' PHE . 40.8 mt -124.09 118.91 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.224 -0.923 . . . . 0.48 109.72 179.969 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 12.9 ttt180 -73.93 154.41 39.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 2.08 109.5 179.8 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.55 137.04 4.1 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.92 -1.272 . . . . 0.4 109.92 179.681 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.89 -52.2 7.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -1.112 . . . . 2.64 109.372 179.932 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.04 -46.24 85.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 2.22 109.351 179.827 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -41.06 93.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.354 -0.841 . . . . 2.74 109.266 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.6 t80 -55.24 -55.64 29.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 0.43 109.551 -179.922 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -51.33 -32.4 25.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.69 109.81 -179.71 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.87 66.34 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.153 -0.967 . . . . 0.43 109.936 -179.681 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.539 ' HB2' HD13 ' D' ' 332' ' ' ILE . 42.7 m-85 -61.09 -56.02 25.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.27 109.158 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.23 -33.33 27.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 2.45 109.43 179.814 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.33 -50.26 73.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -0.935 . . . . 1.75 109.494 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' C' ' 344' ' ' LEU . 88.1 mt -61.44 -34.97 76.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -0.876 . . . . 0.31 108.903 179.77 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.43 65.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.374 -0.829 . . . . 1.22 109.42 179.565 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.86 -32.54 73.79 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.49 -0.756 . . . . 1.73 109.756 -179.772 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.53 -52.79 63.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.28 109.927 -179.65 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 32.1 mt -61.15 -42.89 99.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -0.937 . . . . 0.31 109.62 -179.719 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.68 -35.58 74.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.235 -0.916 . . . . 1.91 109.637 -179.996 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.86 -43.16 93.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.43 109.145 -179.973 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -61.4 -47.82 84.04 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.38 -0.825 . . . . 1.57 108.953 179.711 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.76 -30.89 65.98 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.537 -0.727 . . . . 1.44 109.353 179.582 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.37 75.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.367 -0.833 . . . . 0.64 109.608 -179.785 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -82.61 -11.45 58.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -0.941 . . . . 1.21 109.451 179.851 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.45 39.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.228 -0.92 . . . . 1.22 109.671 179.843 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.7 8.33 66.14 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.986 -1.246 . . . . 1.5 109.986 -179.746 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.95 -89.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.002 -1.293 . . . . 4.18 109.48 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -51.98 151.81 6.18 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 5.67 109.554 -179.932 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.76 142.01 92.39 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.16 1.907 . . . . 5.65 110.26 179.848 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.484 -1.447 . . . . 7.27 109.484 179.979 . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.439 -0.578 . . . . 7.33 109.439 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 319' ' ' LYS . 5.1 mtmt 61.87 144.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.28 -0.888 . . . . 7.21 109.35 -179.877 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 0.7 OUTLIER 57.7 96.93 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.185 -0.947 . . . . 6.47 109.215 -179.915 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.77 89.59 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.173 1.915 . . . . 4.53 110.553 -179.709 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 321' ' ' LYS . 4.1 mm? -80.9 4.61 18.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.899 . . . . 4.35 109.639 179.604 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -78.64 -166.33 0.86 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 2.48 109.439 -179.854 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.87 165.01 45.7 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.456 -1.458 . . . . 0.98 109.456 -179.847 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.83 139.61 56.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -1.107 . . . . 1.7 109.613 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.13 159.52 15.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.61 109.439 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.3 m-85 -139.48 -169.91 2.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 0.58 109.493 -179.892 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 5.9 p -153.9 159.61 41.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.42 109.521 -179.776 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.98 129.98 14.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.36 109.429 -179.855 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 43.1 tt0 -87.14 128.21 35.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.314 -0.866 . . . . 1.37 109.753 -179.929 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.3 mt -124.23 115.9 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.47 109.563 179.737 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -73.88 150.71 40.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 2.1 109.568 179.929 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 95.12 133.6 7.34 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.824 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.0 ttt180 -76.85 -58.12 3.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.118 . . . . 2.68 109.356 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.99 -42.54 90.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.4 -0.813 . . . . 2.22 109.37 179.898 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.9 OUTLIER -60.5 -46.62 89.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.296 -0.878 . . . . 2.77 109.424 -179.883 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.6 t80 -55.73 -51.34 67.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.43 109.606 179.923 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.56 20.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 1.66 109.702 -179.811 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.81 -49.8 73.5 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.256 -0.903 . . . . 0.44 109.865 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -60.95 -54.8 40.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.194 -0.941 . . . . 0.29 109.151 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.51 23.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.467 -0.771 . . . . 2.44 109.525 179.833 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.95 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.919 . . . . 1.74 109.698 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' B' ' 344' ' ' LEU . 97.3 mt -61.34 -33.97 74.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.944 . . . . 0.3 109.103 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.642 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.7 t-20 -59.63 -51.13 71.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.841 . . . . 1.22 109.464 179.741 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 1.72 109.759 -179.736 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.62 -47.79 84.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.263 -0.898 . . . . 0.27 110.045 -179.626 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.546 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 57.0 mt -61.55 -45.38 94.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.29 109.784 -179.608 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.5 -35.3 75.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 1.91 109.634 179.92 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.85 -47.46 77.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.289 -0.882 . . . . 0.41 109.79 -179.82 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.68 -41.34 97.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.336 -0.852 . . . . 1.56 109.037 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.25 -34.33 68.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.65 -0.656 . . . . 1.43 109.565 179.644 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.31 -41.54 89.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.66 109.354 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -81.05 1.36 31.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.91 . . . . 1.18 109.601 179.892 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -77.89 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.23 109.715 -179.937 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.31 -0.33 36.75 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.209 -1.156 . . . . 1.54 110.209 -179.622 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 4.9 tttt -85.16 124.34 31.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.035 -1.273 . . . . 4.18 109.219 179.947 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 106.51 0.6 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.882 . . . . 5.71 109.584 -179.953 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.6 Cg_exo -60.42 144.58 99.52 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.987 1.791 . . . . 5.61 110.222 179.941 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 7.24 109.546 179.991 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 320' ' ' LYS . 21.1 mttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.415 -0.587 . . . . 7.34 109.415 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 319' ' ' LYS . 5.1 mtmt 61.93 144.36 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.972 . . . . 7.17 109.349 -179.923 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER 57.62 96.93 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 6.44 109.251 -179.79 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.71 89.55 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.098 1.865 . . . . 4.54 110.62 -179.803 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' B' ' 321' ' ' LYS . 4.1 mm? -80.94 4.74 18.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 4.32 109.617 179.633 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -78.72 -166.55 0.9 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.142 -0.973 . . . . 2.47 109.484 -179.982 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 164.98 44.27 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.508 -1.437 . . . . 0.95 109.508 -179.948 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.81 139.71 56.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.222 -1.164 . . . . 1.61 109.552 -179.929 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 12.5 m-85 -93.16 159.46 15.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 0.57 109.469 179.869 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.2 m-85 -139.47 -169.89 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.53 109.574 -179.916 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 5.8 p -153.96 159.62 41.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.187 -0.946 . . . . 0.38 109.488 -179.837 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -148.98 130.02 14.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.36 109.402 -179.885 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 43.1 tt0 -87.09 128.25 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 1.36 109.751 -179.917 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.564 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.4 mt -124.22 115.87 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.49 109.534 179.728 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -73.79 150.72 40.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 2.1 109.631 179.831 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.507 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.03 133.66 7.33 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.715 -1.354 . . . . 0.44 109.715 179.746 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.1 ttt180 -76.79 -58.08 3.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -1.12 . . . . 2.72 109.442 179.882 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.9 -42.67 90.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 2.21 109.394 179.795 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.9 OUTLIER -60.47 -46.63 89.39 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.267 -0.896 . . . . 2.79 109.439 -179.887 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.4 t80 -55.74 -51.41 67.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.45 109.529 -179.984 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.79 -34.64 20.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.851 . . . . 1.68 109.661 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -62.87 -49.71 73.79 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.102 -0.999 . . . . 0.43 109.803 -179.664 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.04 -54.82 40.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.204 -0.935 . . . . 0.28 109.087 -179.976 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.55 23.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.443 -0.785 . . . . 2.52 109.484 179.896 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.86 -51.92 67.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 1.75 109.783 -179.894 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 344' ' ' LEU . 97.4 mt -61.25 -34.05 74.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.229 -0.919 . . . . 0.31 109.058 179.935 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.62 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.7 t-20 -59.59 -51.18 70.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.428 -0.795 . . . . 1.21 109.482 179.755 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.66 81.08 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.356 -0.84 . . . . 1.69 109.773 -179.742 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.7 -47.74 84.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.27 109.993 -179.568 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.0 mt -61.5 -45.49 93.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.3 109.829 -179.661 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.43 -35.33 75.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 1.93 109.731 179.913 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.84 -47.41 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.4 109.715 -179.731 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.69 -41.42 97.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 1.59 108.994 179.929 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -34.45 68.38 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.47 -0.769 . . . . 1.43 109.506 179.627 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.45 -41.47 89.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.65 109.271 -179.79 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -81.11 1.45 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.818 . . . . 1.19 109.622 179.853 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -77.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.153 -0.967 . . . . 1.22 109.797 -179.978 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.43 -0.3 37.59 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.256 -1.138 . . . . 1.53 110.256 -179.667 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 4.9 tttt -85.21 124.48 31.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.074 -1.251 . . . . 4.21 109.276 179.876 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.46 106.57 0.61 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 5.68 109.553 -179.844 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.7 Cg_exo -60.37 144.58 99.51 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.958 1.772 . . . . 5.57 110.242 179.932 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 CA-C-O 118.024 -1.431 . . . . 7.2 109.552 -179.999 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.354 0.597 . . . . 8.96 109.434 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 319' ' ' LYS . 5.0 mtmt 61.92 144.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.132 -0.98 . . . . 8.15 109.251 179.981 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.535 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 0.7 OUTLIER 57.61 96.91 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.204 -0.935 . . . . 7.15 109.296 -179.872 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.85 89.68 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.139 1.893 . . . . 4.35 110.525 -179.662 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' C' ' 321' ' ' LYS . 4.1 mm? -80.95 4.71 18.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.947 . . . . 4.63 109.59 179.57 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.76 -166.46 0.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 2.85 109.4 -179.913 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.6 164.99 44.86 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.456 -1.457 . . . . 1.12 109.456 -179.834 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.77 139.8 55.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -1.11 . . . . 2.11 109.634 -179.95 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.25 159.44 15.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.237 -0.914 . . . . 0.64 109.453 179.904 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.1 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.49 109.524 -179.939 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.44 HG23 ' O ' ' C' ' 328' ' ' PHE . 6.0 p -153.81 159.62 41.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 0.47 109.539 -179.851 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.4 tp -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.42 109.446 -179.864 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.06 128.26 35.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.231 -0.918 . . . . 1.81 109.773 -179.926 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' C' ' 341' ' ' PHE . 29.4 mt -124.27 115.76 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.42 109.598 179.748 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -73.71 150.66 41.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 2.35 109.621 179.953 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 95.01 133.71 7.35 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.719 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.2 ttt180 -76.77 -58.18 3.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -1.161 . . . . 2.59 109.399 179.922 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.79 -42.78 89.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 2.54 109.369 179.839 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.9 OUTLIER -60.43 -46.54 89.64 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.373 -0.829 . . . . 3.39 109.451 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.5 t80 -55.79 -51.33 67.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.47 109.606 179.958 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.45 20.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.66 109.781 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.95 -49.73 73.58 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.131 -0.981 . . . . 0.61 109.794 -179.741 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.9 m-85 -60.95 -54.85 39.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.147 -0.97 . . . . 0.33 109.169 179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.19 -34.54 23.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.382 -0.824 . . . . 3.28 109.591 179.778 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.93 -51.85 67.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 1.78 109.758 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' D' ' 344' ' ' LEU . 97.4 mt -61.21 -34.13 74.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.38 109.153 179.814 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.7 t-20 -59.56 -51.16 71.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.49 -0.756 . . . . 1.2 109.535 179.71 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -35.65 81.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.844 . . . . 2.12 109.781 -179.733 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.61 -47.8 84.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.26 109.996 -179.675 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 57.5 mt -61.52 -45.46 94.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.881 . . . . 0.4 109.768 -179.544 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.48 -35.39 75.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.213 -0.929 . . . . 2.09 109.571 179.986 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.531 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 13.4 tp -64.85 -47.43 77.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.75 109.71 -179.681 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.67 -41.4 97.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.897 . . . . 2.19 108.984 179.938 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.499 -0.75 . . . . 1.34 109.588 179.655 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.47 -41.36 89.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.72 109.378 -179.936 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -81.13 1.43 31.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.8 109.618 179.825 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.22 -77.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.39 109.732 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.3 -0.42 37.12 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.278 -1.129 . . . . 1.66 110.278 -179.691 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 4.9 tttt -85.06 124.4 31.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.988 -1.301 . . . . 4.45 109.273 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.38 106.61 0.61 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.211 -0.93 . . . . 6.19 109.553 -179.934 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.7 Cg_exo -60.43 144.55 99.52 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.085 1.856 . . . . 5.58 110.242 179.945 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.9 -1.5 . . . . 6.9 109.482 -179.95 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' D' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.42 -0.585 . . . . 7.36 109.42 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' D' ' 319' ' ' LYS . 5.0 mtmt 61.82 144.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.193 -0.942 . . . . 7.15 109.306 -179.9 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 0.7 OUTLIER 57.63 97.0 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 6.5 109.159 -179.864 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.83 89.7 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.126 1.884 . . . . 4.5 110.605 -179.837 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' D' ' 321' ' ' LYS . 4.1 mm? -81.0 4.71 18.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.178 -0.951 . . . . 4.32 109.644 179.621 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -78.67 -166.43 0.88 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.27 -0.894 . . . . 2.46 109.473 -179.906 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 164.96 44.92 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.97 109.536 -179.93 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.76 139.7 55.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.274 -1.133 . . . . 1.67 109.65 -179.924 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.25 159.51 15.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.61 109.284 -179.95 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.9 m-85 -139.49 -169.8 2.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.322 -0.861 . . . . 0.56 109.517 -179.94 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 5.8 p -153.94 159.63 41.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.43 109.428 -179.774 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.04 130.01 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.187 -0.946 . . . . 0.35 109.446 -179.969 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.15 128.24 35.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.177 -0.952 . . . . 1.37 109.704 -179.816 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -124.18 115.85 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.48 109.537 179.8 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.516 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -73.81 150.68 40.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 2.08 109.639 179.857 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.516 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.05 133.73 7.37 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.789 -1.324 . . . . 0.4 109.789 179.798 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.0 ttt180 -76.92 -58.01 3.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -1.123 . . . . 2.64 109.453 179.807 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.93 -42.73 90.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 2.22 109.429 179.793 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.9 OUTLIER -60.34 -46.69 89.01 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.335 -0.853 . . . . 2.74 109.385 -179.851 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.3 t80 -55.76 -51.37 67.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.43 109.555 -179.961 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.85 -34.52 20.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.378 -0.826 . . . . 1.69 109.745 -179.859 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.99 -49.64 73.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.186 -0.946 . . . . 0.43 109.766 -179.612 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.7 m-85 -60.93 -54.87 39.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.27 109.167 179.938 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.18 -34.59 23.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.445 -0.784 . . . . 2.45 109.555 179.824 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.91 67.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 1.75 109.757 -179.863 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' C' ' 344' ' ' LEU . 96.8 mt -61.24 -34.02 74.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.31 109.1 179.899 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.672 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.7 t-20 -59.7 -51.11 71.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 1.22 109.509 179.751 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.323 -0.861 . . . . 1.73 109.743 -179.763 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.68 -47.76 84.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.28 110.03 -179.598 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 57.2 mt -61.46 -45.47 94.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.31 109.77 -179.63 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -35.26 75.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.91 109.658 179.969 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 13.6 tp -64.88 -47.32 78.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.43 109.815 -179.838 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.6 -41.51 97.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 1.57 109.007 179.89 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.17 -34.33 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.536 -0.727 . . . . 1.44 109.572 179.683 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.35 -41.5 89.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.872 . . . . 0.64 109.39 -179.92 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -81.08 1.42 31.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.381 -0.824 . . . . 1.21 109.67 179.83 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -77.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.936 . . . . 1.22 109.735 -179.918 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.34 -0.38 37.22 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.219 -1.152 . . . . 1.5 110.219 -179.66 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 4.8 tttt -85.15 124.4 31.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.021 -1.282 . . . . 4.18 109.319 179.901 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 106.54 0.6 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 5.67 109.584 -179.824 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.7 Cg_exo -60.34 144.56 99.51 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.993 1.796 . . . . 5.65 110.198 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.929 -1.484 . . . . 7.27 109.515 179.954 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 77.0 mttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.55 -0.537 . . . . 7.33 109.55 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.43 173.84 0.11 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 7.21 109.498 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.2 OUTLIER 57.17 60.53 6.98 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.296 -0.877 . . . . 6.47 109.596 179.962 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 322' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.2 Cg_exo -61.53 89.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.045 1.83 . . . . 4.53 110.163 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.95 22.67 1.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.263 -0.898 . . . . 4.35 110.001 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.58 -90.4 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.299 -0.876 . . . . 2.48 109.905 -179.554 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.42 139.51 32.16 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.934 -1.266 . . . . 0.98 109.934 -179.472 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.58 149.82 37.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.493 -1.004 . . . . 1.7 109.451 179.597 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.9 m-85 -94.89 149.44 21.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.895 . . . . 0.61 109.506 179.846 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.4 m-85 -139.12 -168.98 2.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 0.58 109.772 -179.783 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 26.2 p -152.91 156.7 39.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.265 -0.897 . . . . 0.42 109.348 -179.721 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.05 136.21 19.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.15 -0.969 . . . . 0.36 109.634 -179.552 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 40.5 tt0 -86.53 132.19 33.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.822 . . . . 1.37 109.149 179.625 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.83 120.34 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.47 109.591 -179.896 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.91 152.37 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.337 -0.852 . . . . 2.1 109.51 179.869 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.06 2.65 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.776 -1.33 . . . . 0.42 109.776 179.657 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttm180 -81.94 -50.1 9.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -1.16 . . . . 2.68 109.452 179.787 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.58 -46.0 87.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.402 -0.811 . . . . 2.22 109.45 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.99 -41.26 96.13 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.314 -0.866 . . . . 2.77 109.385 -179.955 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 71.5 t80 -55.32 -56.51 19.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.535 -0.728 . . . . 0.43 109.721 -179.938 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.44 -35.43 39.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.828 . . . . 1.66 110.027 -179.782 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.9 -47.22 84.21 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.245 -0.91 . . . . 0.44 109.871 -179.584 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.58 -49.15 77.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 0.29 109.24 -179.996 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.37 -40.32 58.93 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.65 179.783 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.63 -42.81 97.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.74 109.831 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.08 -45.61 92.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -0.883 . . . . 0.3 109.542 -179.753 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.87 -46.2 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.34 -0.85 . . . . 1.22 109.795 -179.953 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -35.97 80.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 1.72 109.789 -179.628 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.09 -53.02 63.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.188 -0.945 . . . . 0.27 109.696 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.58 -36.3 80.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.29 109.258 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.323 -0.86 . . . . 1.91 109.535 179.914 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.29 -43.94 96.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.41 109.454 -179.928 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -61.77 -47.55 84.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.346 -0.846 . . . . 1.56 109.033 179.844 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -28.6 59.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.642 -0.661 . . . . 1.43 109.465 179.614 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 357' ' ' LYS . . . -65.17 -46.29 81.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 0.66 109.488 -179.779 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.82 -5.6 58.35 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.18 109.52 179.832 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.62 -78.11 0.08 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.131 -0.98 . . . . 1.23 109.874 -179.895 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.63 7.92 17.08 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.67 -0.972 . . . . 1.54 110.67 -179.493 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 353' ' ' ALA . 1.0 OUTLIER -84.3 -85.68 0.13 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.801 -1.411 . . . . 4.18 109.321 179.985 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -48.97 107.52 0.78 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.963 . . . . 5.71 109.337 179.947 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.3 Cg_exo -60.7 124.39 14.93 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 121.99 1.793 . . . . 5.61 110.388 -179.871 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.047 -1.418 . . . . 7.24 109.663 179.87 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 76.8 mttt . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.223 0.535 . . . . 7.34 109.594 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 51.8 mttm 61.18 173.88 0.11 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.133 -0.979 . . . . 7.17 109.537 -179.984 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.2 OUTLIER 57.17 60.62 6.95 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.858 . . . . 6.44 109.528 -179.949 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.2 Cg_exo -61.55 89.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.996 1.797 . . . . 4.54 110.228 179.89 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.9 22.54 1.13 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.815 . . . . 4.32 110.039 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -78.56 -90.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 2.47 109.893 -179.415 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 139.4 31.7 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.974 -1.25 . . . . 0.95 109.974 -179.504 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.55 149.87 37.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.536 -0.979 . . . . 1.61 109.434 179.708 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.8 m-85 -94.98 149.37 21.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.57 109.484 179.814 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 69.4 m-85 -138.95 -169.01 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.281 -0.887 . . . . 0.53 109.774 -179.727 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 26.3 p -152.82 156.9 39.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.38 109.349 -179.818 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.21 136.11 19.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.36 109.705 -179.617 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 40.7 tt0 -86.45 132.25 33.98 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.378 -0.827 . . . . 1.36 109.117 179.661 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.6 mt -123.9 120.35 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.967 . . . . 0.49 109.558 -179.895 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.78 152.38 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.303 -0.873 . . . . 2.1 109.538 179.797 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.47 137.09 2.6 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.881 -1.288 . . . . 0.44 109.881 179.626 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.407 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttm180 -81.93 -50.04 9.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -1.142 . . . . 2.72 109.457 179.896 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.63 -45.82 88.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 2.21 109.515 179.913 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.408 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 4.0 ttm180 -61.07 -41.36 96.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.324 -0.86 . . . . 2.79 109.39 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' B' ' 332' ' ' ILE . 72.1 t80 -55.17 -56.64 17.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.54 -0.725 . . . . 0.45 109.711 179.991 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.46 -35.42 39.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.388 -0.82 . . . . 1.68 110.005 -179.668 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.79 -47.32 83.97 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.007 -1.058 . . . . 0.43 109.834 -179.596 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.64 -49.01 78.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.28 109.213 -179.871 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -51.53 -40.17 59.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 2.52 109.59 179.858 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.74 -42.75 97.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.75 109.838 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.1 -45.54 93.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 0.31 109.576 -179.773 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -58.03 -46.08 85.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 1.21 109.674 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.07 81.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.331 -0.856 . . . . 1.69 109.768 -179.632 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -53.07 62.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 0.27 109.642 -179.729 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.449 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 17.3 mt -61.58 -36.15 79.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.3 109.399 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.23 83.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.916 . . . . 1.93 109.453 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.26 -43.84 96.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.4 109.542 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.8 -47.46 85.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -0.818 . . . . 1.59 109.055 179.762 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.58 -28.65 60.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.524 -0.735 . . . . 1.43 109.376 179.687 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 353' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' B' ' 357' ' ' LYS . . . -65.09 -46.41 81.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.394 -0.816 . . . . 0.65 109.439 -179.755 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.79 -5.59 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 1.19 109.584 179.793 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.58 -78.16 0.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 1.22 109.868 -179.947 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.7 8.03 16.86 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.744 -0.943 . . . . 1.53 110.744 -179.476 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' B' ' 353' ' ' ALA . 1.0 OUTLIER -84.26 -85.61 0.13 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.859 -1.377 . . . . 4.21 109.427 179.877 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -48.95 107.53 0.79 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 5.68 109.297 179.871 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' B' B ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.4 Cg_exo -60.85 124.39 14.86 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.954 1.769 . . . . 5.57 110.433 -179.835 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.973 -1.46 . . . . 7.2 109.58 179.924 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.238 0.542 . . . . 8.96 109.607 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.26 173.8 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 8.15 109.673 179.998 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.522 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.2 OUTLIER 57.14 60.63 6.97 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.86 . . . . 7.15 109.527 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.1 Cg_exo -61.4 89.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.054 1.836 . . . . 4.35 110.209 179.883 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.97 22.58 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.264 -0.898 . . . . 4.63 110.012 179.824 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -78.56 -90.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 2.85 110.027 -179.572 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 139.51 31.88 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.956 -1.258 . . . . 1.12 109.956 -179.565 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.56 149.82 37.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.546 -0.973 . . . . 2.11 109.393 179.709 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 9.1 m-85 -94.93 149.41 21.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.64 109.401 179.862 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.4 m-85 -139.0 -168.93 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.49 109.728 -179.8 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -152.82 157.04 40.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.47 109.302 -179.766 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.42 136.19 19.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.42 109.588 -179.597 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 40.5 tt0 -86.58 132.2 33.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.348 -0.845 . . . . 1.81 109.089 179.723 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.2 mt -123.78 120.22 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.42 109.716 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.75 152.4 40.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 2.35 109.544 179.854 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.5 137.11 2.62 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.675 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttm180 -82.0 -50.11 9.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -1.154 . . . . 2.59 109.362 179.95 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.53 -46.15 87.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 2.54 109.356 179.986 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.9 -41.24 95.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 3.39 109.333 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CD1' HD12 ' C' ' 332' ' ' ILE . 71.4 t80 -55.37 -56.5 19.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.47 109.708 -179.942 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.49 -35.49 40.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 1.66 109.957 -179.748 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.73 -47.37 83.88 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.142 -0.974 . . . . 0.61 109.89 -179.599 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.41 -49.16 77.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.33 109.312 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.47 -40.29 59.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.475 -0.766 . . . . 3.28 109.65 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.5 -42.89 97.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.187 -0.945 . . . . 1.78 109.906 -179.764 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 344' ' ' LEU . 91.2 mt -62.02 -45.56 93.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.38 109.624 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.95 -46.19 85.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.822 . . . . 1.2 109.787 -179.949 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -36.1 80.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 2.12 109.877 -179.758 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.04 62.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.944 . . . . 0.26 109.669 -179.697 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.68 -36.12 79.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 0.4 109.361 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.31 -38.14 82.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 2.09 109.551 179.826 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.24 -43.93 96.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.75 109.545 -179.976 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.75 -47.48 85.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 2.19 109.068 179.837 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.45 -28.83 60.66 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.566 -0.709 . . . . 1.34 109.355 179.636 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 353' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' C' ' 357' ' ' LYS . . . -64.91 -46.51 81.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.72 109.491 -179.734 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -81.75 -5.57 58.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 1.8 109.558 179.839 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -77.96 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 1.39 109.911 -179.894 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.94 8.11 17.53 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.605 -0.998 . . . . 1.66 110.605 -179.457 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' C' ' 353' ' ' ALA . 1.0 OUTLIER -84.23 -85.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.917 -1.343 . . . . 4.45 109.355 179.831 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.86 107.56 0.79 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.177 -0.952 . . . . 6.19 109.378 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' C' C ' 359' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.4 Cg_exo -60.78 124.42 14.94 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 121.986 1.791 . . . . 5.58 110.379 -179.829 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 117.971 -1.461 . . . . 6.9 109.533 179.839 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 77.0 mttt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.241 0.544 . . . . 7.36 109.61 . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.31 173.79 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.198 -0.939 . . . . 7.15 109.576 179.982 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.2 OUTLIER 57.11 60.68 6.97 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.341 -0.849 . . . . 6.5 109.51 179.957 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -61.45 89.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.016 1.811 . . . . 4.5 110.239 179.85 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.98 22.63 1.14 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.329 -0.857 . . . . 4.32 109.988 179.839 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.67 -90.36 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.196 -0.94 . . . . 2.46 109.881 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.43 139.45 32.04 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.001 -1.24 . . . . 0.97 110.001 -179.566 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.6 149.86 37.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.448 -1.03 . . . . 1.67 109.386 179.644 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.9 m-85 -94.97 149.49 21.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.962 . . . . 0.61 109.435 179.833 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HG3' ' B' ' 331' ' ' GLN . 69.5 m-85 -139.08 -169.04 2.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.56 109.709 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 26.1 p -152.71 157.02 40.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.43 109.347 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.3 136.15 19.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 0.35 109.601 -179.579 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 40.6 tt0 -86.55 132.14 33.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.378 -0.826 . . . . 1.37 109.204 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.84 120.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.48 109.611 -179.874 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.77 152.33 40.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.45 -0.781 . . . . 2.08 109.649 179.804 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.16 2.68 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.8 ttm180 -82.04 -50.06 9.52 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -1.096 . . . . 2.64 109.39 179.929 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.55 -46.11 87.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 2.22 109.406 179.921 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.449 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 4.0 ttm180 -60.94 -41.29 95.98 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.296 -0.877 . . . . 2.74 109.407 -179.913 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' D' ' 332' ' ' ILE . 71.7 t80 -55.28 -56.54 18.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.498 -0.751 . . . . 0.43 109.71 -179.97 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.53 -35.42 40.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 1.69 109.982 -179.714 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.76 -47.34 83.95 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.136 -0.977 . . . . 0.43 109.875 -179.654 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -49.0 78.36 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.271 -0.893 . . . . 0.27 109.296 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.51 -40.22 59.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 2.45 109.599 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.69 -42.73 97.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 1.75 109.896 -179.682 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 344' ' ' LEU . 90.6 mt -62.0 -45.68 92.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.31 109.555 -179.848 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.93 -46.18 85.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.391 -0.818 . . . . 1.22 109.727 -179.858 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -36.13 81.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 1.73 109.862 -179.688 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -53.05 62.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.28 109.688 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.408 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 17.4 mt -61.66 -36.1 79.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 0.31 109.368 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.19 82.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.326 -0.859 . . . . 1.91 109.464 179.823 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.18 -43.89 96.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.43 109.565 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.95 -47.36 85.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.383 -0.823 . . . . 1.57 109.072 179.862 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.46 -28.7 60.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.626 -0.671 . . . . 1.44 109.442 179.517 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 353' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' D' ' 357' ' ' LYS . . . -65.09 -46.34 81.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.64 109.475 -179.722 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.86 -5.59 58.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 1.21 109.489 179.868 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -78.02 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 1.22 109.919 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.83 8.02 17.55 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.613 -0.995 . . . . 1.5 110.613 -179.445 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' D' ' 353' ' ' ALA . 1.0 OUTLIER -84.24 -85.74 0.13 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.81 -1.406 . . . . 4.18 109.303 179.936 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.9 107.59 0.8 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 5.67 109.361 179.933 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' D' D ' 359' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.5 Cg_exo -60.92 124.37 14.81 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 121.984 1.789 . . . . 5.65 110.331 -179.748 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 118.033 -1.426 . . . . 7.27 109.562 179.816 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.22 0.533 . . . . 7.33 109.624 . . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 319' ' ' LYS . 9.3 ptmt 40.84 84.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.369 -0.832 . . . . 7.21 109.788 -179.891 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.83 79.5 0.33 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 6.47 109.076 -179.926 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.53 -3.12 8.5 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.352 2.035 . . . . 4.53 111.008 -179.386 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.4 98.69 8.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.858 -1.151 . . . . 4.35 109.542 179.829 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.88 -107.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.85 . . . . 2.48 109.421 179.816 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.11 161.46 53.17 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.533 -1.427 . . . . 0.98 109.533 179.78 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.9 138.16 57.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -1.106 . . . . 1.7 109.384 179.935 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.3 m-85 -93.72 158.49 15.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.61 109.527 -179.88 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.0 m-85 -138.24 -166.51 2.0 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.203 -0.935 . . . . 0.58 109.601 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.95 156.74 40.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.42 109.498 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.98 132.54 16.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.926 . . . . 0.36 109.585 -179.541 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 40.4 tt0 -86.64 127.24 34.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 1.37 109.414 179.97 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.8 117.43 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.47 109.622 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.0 OUTLIER -73.48 154.3 39.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 2.1 109.437 179.986 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.56 128.26 3.03 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.744 -1.342 . . . . 0.42 109.744 179.717 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -77.07 -52.41 9.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.308 -1.113 . . . . 2.68 109.261 179.807 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -59.41 -47.1 86.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.86 . . . . 2.22 109.479 179.877 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.94 -42.66 98.6 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.296 -0.877 . . . . 2.77 109.564 -179.903 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.04 -55.94 25.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.355 -0.841 . . . . 0.43 109.659 -179.88 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.62 -34.42 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.882 . . . . 1.66 109.848 -179.706 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.4 -49.08 75.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.145 -0.972 . . . . 0.44 110.088 -179.646 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.18 -53.24 59.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.306 -0.872 . . . . 0.29 109.299 -179.781 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.65 41.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.396 -0.815 . . . . 2.44 109.717 179.745 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.9 -44.97 96.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.74 109.864 -179.797 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.41 97.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.3 109.403 -179.887 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.01 -47.83 81.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.302 -0.874 . . . . 1.22 109.549 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -36.28 80.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.72 109.92 -179.703 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.24 -46.82 88.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.27 109.971 -179.731 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.91 -47.75 83.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.29 109.817 -179.558 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.14 -34.66 72.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.91 109.769 -179.782 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.86 -47.13 79.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.272 -0.892 . . . . 0.41 109.561 -179.861 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -61.18 -39.1 88.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.363 -0.836 . . . . 1.56 109.185 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -56.57 -40.39 75.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.443 -0.786 . . . . 1.43 109.557 179.698 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.87 68.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66 109.516 -179.954 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.542 ' OE1' HD11 ' B' ' 350' ' ' LEU . 26.0 mt-30 -82.33 -5.11 58.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 1.18 109.718 -179.854 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -81.19 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 1.23 109.59 -179.884 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.47 67.83 3.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.823 -1.311 . . . . 1.54 109.823 -179.817 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 357' ' ' LYS . 15.2 tttt -87.04 16.05 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.151 -1.206 . . . . 4.18 109.576 179.976 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.05 155.9 1.48 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.146 -0.971 . . . . 5.71 109.496 -179.908 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.19 -167.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.234 1.956 . . . . 5.61 110.326 179.926 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.987 -1.451 . . . . 7.24 109.571 179.996 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.22 0.533 . . . . 7.34 109.616 . . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' B' ' 319' ' ' LYS . 9.2 ptmt 40.98 84.79 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 7.17 109.75 -179.917 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.69 79.55 0.33 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 6.44 109.068 -179.866 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.6 -3.0 8.36 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.326 2.017 . . . . 4.54 111.081 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.49 98.74 9.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.887 -1.133 . . . . 4.32 109.483 179.779 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.9 -107.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 2.47 109.38 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 161.47 53.37 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.409 -1.476 . . . . 0.95 109.409 179.912 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.88 138.13 57.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -1.19 . . . . 1.61 109.396 179.976 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.5 15.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.885 . . . . 0.57 109.567 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.54 2.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.53 109.564 -179.791 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 13.4 p -151.82 156.74 40.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.38 109.522 -179.687 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.3 tp -148.97 132.56 16.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.36 109.595 -179.628 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 40.4 tt0 -86.59 127.33 34.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.38 -0.825 . . . . 1.36 109.413 179.896 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 117.51 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.166 -0.959 . . . . 0.49 109.548 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.0 OUTLIER -73.52 154.27 39.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 2.1 109.523 179.925 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.48 128.31 3.02 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.762 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -77.06 -52.34 9.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -1.098 . . . . 2.72 109.256 179.875 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.47 -47.2 86.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 2.21 109.42 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.83 -42.69 98.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.279 -0.888 . . . . 2.79 109.591 -179.933 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -54.92 -56.06 23.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -0.83 . . . . 0.45 109.618 -179.898 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.57 -34.61 26.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 1.68 109.736 -179.619 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.24 -49.12 75.39 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.211 -0.93 . . . . 0.43 110.132 -179.586 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.07 -53.37 57.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.28 109.279 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.03 -36.82 41.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 2.52 109.524 179.872 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.74 -45.04 95.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.978 . . . . 1.75 109.897 -179.743 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.47 97.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.31 109.348 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -57.99 -47.83 81.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.395 -0.816 . . . . 1.21 109.588 179.911 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -36.41 81.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -0.862 . . . . 1.69 109.917 -179.698 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -46.76 88.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.27 109.915 -179.59 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.98 -47.58 84.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.207 -0.933 . . . . 0.3 109.888 -179.563 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.22 -34.71 72.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.885 . . . . 1.93 109.713 -179.84 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.658 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.83 -47.1 79.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.4 109.578 -179.822 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 18.8 ttmm -61.21 -39.14 89.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.495 -0.753 . . . . 1.59 109.089 -179.999 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -56.64 -40.42 75.38 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.431 -0.793 . . . . 1.43 109.433 179.809 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.96 69.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 0.65 109.541 -179.971 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 350' ' ' LEU . 26.4 mt-30 -82.3 -5.09 58.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.173 -0.954 . . . . 1.19 109.779 -179.886 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -81.23 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 1.22 109.581 -179.895 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.45 67.79 3.67 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.793 -1.323 . . . . 1.53 109.793 -179.774 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 357' ' ' LYS . 15.2 tttt -87.05 16.18 5.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.114 -1.227 . . . . 4.21 109.691 179.938 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -50.05 155.9 1.48 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 5.68 109.621 179.962 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 -167.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.191 1.928 . . . . 5.57 110.336 -179.978 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 CA-C-O 117.908 -1.495 . . . . 7.2 109.493 -179.999 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.176 0.513 . . . . 8.96 109.659 . . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' C' ' 319' ' ' LYS . 9.3 ptmt 40.86 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.463 -0.773 . . . . 8.15 109.779 -179.908 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.72 79.52 0.33 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 7.15 109.188 -179.847 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.5 -3.08 8.39 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.251 1.967 . . . . 4.35 111.074 -179.392 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 41.4 mt -82.57 98.93 9.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.974 -1.079 . . . . 4.63 109.363 179.973 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.96 -107.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 2.85 109.393 179.776 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.26 161.57 53.31 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.39 -1.484 . . . . 1.12 109.39 179.868 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.06 138.15 57.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.196 -1.179 . . . . 2.11 109.354 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 8.3 m-85 -93.67 158.45 15.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.908 . . . . 0.64 109.49 -179.859 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.5 2.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.49 109.599 -179.794 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.85 156.74 40.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.47 109.528 -179.68 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.92 132.66 16.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.908 . . . . 0.42 109.6 -179.652 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 40.4 tt0 -86.7 127.33 34.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.81 109.387 179.915 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.86 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.217 -0.927 . . . . 0.42 109.578 -179.964 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 1.0 OUTLIER -73.43 154.25 40.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.86 . . . . 2.35 109.541 179.898 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.6 128.31 3.06 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.721 -1.352 . . . . 0.41 109.721 179.706 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -77.17 -52.38 9.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.253 -1.145 . . . . 2.59 109.28 179.738 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.4 -47.15 86.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 2.54 109.415 179.819 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.85 -42.77 98.46 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.344 -0.848 . . . . 3.39 109.511 -179.867 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.93 -56.11 23.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.381 -0.825 . . . . 0.47 109.625 -179.809 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.43 -34.57 25.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 1.66 109.868 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.32 -49.07 75.4 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.267 -0.895 . . . . 0.61 110.121 -179.656 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.13 -53.37 57.84 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.28 -0.887 . . . . 0.33 109.286 -179.819 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.366 -0.834 . . . . 3.28 109.618 179.836 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.85 -45.07 95.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 1.78 109.794 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.9 mt -61.8 -41.35 97.63 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.246 -0.908 . . . . 0.38 109.389 -179.812 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.03 -47.79 82.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.4 -0.812 . . . . 1.2 109.622 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.43 81.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 2.12 109.822 -179.717 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.2 -46.78 88.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.26 110.04 -179.625 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.92 -47.71 83.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.4 109.889 -179.665 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.13 -34.72 72.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 2.09 109.722 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.65 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.81 -47.18 78.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.75 109.584 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 18.8 ttmm -61.13 -39.12 88.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 2.19 109.132 -179.936 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.62 -40.4 75.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.376 -0.828 . . . . 1.34 109.485 179.743 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -29.75 68.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.352 -0.842 . . . . 0.72 109.543 -179.925 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.435 ' OE1' HD11 ' D' ' 350' ' ' LEU . 26.2 mt-30 -82.38 -5.23 58.49 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.282 -0.886 . . . . 1.8 109.732 -179.892 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -81.12 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.936 . . . . 1.39 109.633 -179.865 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.55 67.94 3.64 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.85 -1.3 . . . . 1.66 109.85 -179.843 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 15.2 tttt -87.08 16.03 5.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.208 -1.172 . . . . 4.45 109.608 -179.965 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -49.97 155.93 1.44 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 6.19 109.576 -179.945 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.35 -167.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.181 1.921 . . . . 5.58 110.228 -179.981 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 118.01 -1.439 . . . . 6.9 109.505 179.974 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.623 -0.51 . . . . 7.36 109.623 . . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' D' ' 319' ' ' LYS . 9.3 ptmt 40.97 84.68 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.501 -0.75 . . . . 7.15 109.771 -179.97 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.88 79.43 0.33 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.885 . . . . 6.5 109.091 -179.892 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.64 -2.9 8.25 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.274 1.982 . . . . 4.5 111.001 -179.379 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.55 98.73 9.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.883 -1.136 . . . . 4.32 109.516 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.88 -107.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 2.46 109.388 179.876 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.2 161.55 53.24 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.467 -1.453 . . . . 0.97 109.467 179.815 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.99 138.1 57.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 1.67 109.422 179.93 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 8.3 m-85 -93.68 158.48 15.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.61 109.532 -179.894 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.1 m-85 -138.27 -166.51 2.0 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.288 -0.882 . . . . 0.56 109.674 -179.754 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 13.6 p -151.91 156.64 40.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.43 109.518 -179.713 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.85 132.62 16.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.168 -0.957 . . . . 0.35 109.569 -179.602 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 40.5 tt0 -86.63 127.37 34.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.37 109.328 179.91 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.88 117.49 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.48 109.588 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.491 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.0 OUTLIER -73.56 154.32 39.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 2.08 109.515 179.921 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.47 128.43 3.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.781 -1.328 . . . . 0.4 109.781 179.769 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -77.16 -52.37 9.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.162 . . . . 2.64 109.306 179.792 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.46 -46.97 87.26 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 2.22 109.488 179.835 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -61.01 -42.69 98.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 2.74 109.512 -179.89 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -55.01 -55.97 25.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.43 109.63 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -50.57 -34.51 25.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.69 109.801 -179.658 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.37 -49.07 75.29 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.192 -0.942 . . . . 0.43 110.063 -179.575 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.1 -53.41 57.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.168 -0.958 . . . . 0.27 109.263 -179.837 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.69 41.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 2.45 109.555 179.908 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.93 -44.92 96.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.91 . . . . 1.75 109.837 -179.767 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.82 -41.43 97.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.31 109.372 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.97 -47.84 81.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.22 109.596 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -36.33 81.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 1.73 109.855 -179.686 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.36 -46.81 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.28 109.975 -179.679 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.81 -47.65 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.31 109.918 -179.668 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -59.16 -34.76 72.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 1.91 109.703 -179.772 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.643 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.88 -47.0 79.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.289 -0.882 . . . . 0.43 109.614 -179.758 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -61.25 -38.96 88.56 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.409 -0.807 . . . . 1.57 109.186 179.994 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.54 -40.6 75.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.399 -0.813 . . . . 1.44 109.521 179.647 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.78 68.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 0.64 109.662 -179.987 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.591 ' OE1' HD11 ' C' ' 350' ' ' LEU . 26.2 mt-30 -82.45 -5.07 58.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.21 109.703 -179.879 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -81.16 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.94 . . . . 1.22 109.629 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.41 67.78 3.67 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.865 -1.294 . . . . 1.5 109.865 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' D' ' 357' ' ' LYS . 15.2 tttt -87.12 16.28 5.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.24 -1.153 . . . . 4.18 109.649 179.992 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -50.13 155.87 1.53 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.107 -0.996 . . . . 5.67 109.561 179.945 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.35 -167.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.159 1.906 . . . . 5.65 110.276 -179.941 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 118.072 -1.405 . . . . 7.27 109.604 -179.981 . . . . . . . . 0 0 . 1 . 076 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.299 0.571 . . . . 1.7 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 18.8 m-85 -93.63 157.42 16.19 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.228 -0.92 . . . . 0.61 109.544 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 85.6 m-85 -139.11 -173.14 3.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.316 -0.865 . . . . 0.58 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.7 p -153.4 160.38 42.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.901 . . . . 0.42 109.427 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.05 133.53 18.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.36 109.289 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.65 130.05 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 1.37 109.649 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.3 mt -123.82 110.8 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.47 109.394 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.29 146.01 45.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 2.1 109.52 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.2 127.73 5.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.42 109.772 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.2 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.47 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 22.5 pt-20 -58.05 -43.95 87.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.301 -0.875 . . . . 2.22 109.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 0.5 OUTLIER -59.8 -40.51 88.59 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.357 -0.839 . . . . 2.77 109.651 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' C' ' 329' ' ' THR . 65.0 t80 -55.26 -53.69 52.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.43 109.865 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.69 -36.34 35.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.66 109.992 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.27 -50.78 68.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.95 . . . . 0.44 110.482 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -60.52 -52.25 65.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.29 109.341 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.89 -37.07 41.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.322 -0.861 . . . . 2.44 109.716 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.38 -50.79 72.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.18 -0.95 . . . . 1.74 109.846 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 344' ' ' LEU . 82.1 mt -60.88 -34.54 74.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.907 . . . . 0.3 108.927 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.88 -54.18 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.401 -0.812 . . . . 1.22 109.364 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.57 69.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.347 -0.846 . . . . 1.72 109.769 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.44 -61.04 2.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.27 110.046 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -39.05 85.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.289 -0.882 . . . . 0.29 109.485 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.03 -34.61 73.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 1.91 109.264 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.49 HD22 ' HD3' ' B' ' 351' ' ' LYS . 20.0 tp -64.91 -40.42 95.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.41 109.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.17 -52.54 61.96 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.689 0.756 . . . . 1.56 109.146 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.65 -30.66 63.59 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.662 -0.649 . . . . 1.43 109.841 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.85 91.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.66 109.866 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' B' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.884 . . . . 1.18 109.803 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.452 -0.573 . . . . 1.61 109.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.56 157.52 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.57 109.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.5 m-85 -139.19 -173.32 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.203 -0.935 . . . . 0.53 109.414 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 39.3 p -153.25 160.42 42.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.38 109.513 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.4 tp -148.02 133.57 18.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.251 -0.905 . . . . 0.36 109.311 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.76 129.91 34.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 1.36 109.644 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.3 mt -123.71 111.06 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.49 109.411 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -73.51 145.93 45.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 2.1 109.417 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.31 127.75 5.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.745 -1.342 . . . . 0.44 109.745 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.2 ttt180 -72.55 -54.99 7.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.29 -1.124 . . . . 2.72 109.426 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 22.6 pt-20 -58.04 -43.79 87.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 2.21 109.564 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 336' ' ' GLU . 0.5 OUTLIER -59.96 -40.43 89.03 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.295 -0.878 . . . . 2.79 109.64 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.0 t80 -55.39 -53.63 53.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.842 . . . . 0.45 109.825 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -50.76 -36.29 35.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 1.68 109.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.25 -50.93 68.25 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.211 -0.93 . . . . 0.43 110.367 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.3 m-85 -60.42 -52.2 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.96 . . . . 0.28 109.411 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.99 -37.07 42.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 2.52 109.611 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.37 -50.85 72.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 1.75 109.814 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' B' ' 344' ' ' LEU . 81.3 mt -60.87 -34.5 74.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.31 108.934 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.3 t-20 -58.86 -54.24 49.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.454 -0.779 . . . . 1.21 109.42 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.391 -0.818 . . . . 1.69 109.821 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.44 -61.0 2.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.146 -0.971 . . . . 0.27 110.04 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.41 -38.95 85.66 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.357 -0.839 . . . . 0.3 109.441 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.12 -34.52 73.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 1.93 109.261 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.0 tp -64.91 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.4 109.096 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.13 -52.65 61.7 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.472 -0.767 . . . . 1.59 109.097 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.56 -30.73 63.47 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.76 -0.587 . . . . 1.43 109.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.79 91.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.65 109.872 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.174 -0.954 . . . . 1.19 109.692 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.433 -0.58 . . . . 2.11 109.433 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 18.7 m-85 -93.64 157.56 16.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.64 109.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 85.8 m-85 -139.24 -173.33 3.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.49 109.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 39.7 p -153.19 160.51 42.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.98 . . . . 0.47 109.461 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -148.12 133.48 18.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.42 109.37 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.69 129.97 34.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.303 -0.873 . . . . 1.81 109.659 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' C' ' 341' ' ' PHE . 42.3 mt -123.77 110.9 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.42 109.445 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.33 145.96 45.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 2.35 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.67 5.49 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.4 ttt180 -72.41 -54.99 7.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -1.134 . . . . 2.59 109.527 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 22.5 pt-20 -58.11 -43.93 87.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 2.54 109.517 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' C' ' 336' ' ' GLU . 0.5 OUTLIER -59.87 -40.37 88.42 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.212 -0.93 . . . . 3.39 109.621 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.0 t80 -55.4 -53.69 53.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.47 109.815 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.6 -36.29 34.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 1.66 110.071 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.38 -50.91 68.05 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.176 -0.952 . . . . 0.61 110.381 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -60.44 -52.31 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.33 109.288 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -50.89 -36.97 40.93 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.438 -0.789 . . . . 3.28 109.783 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.41 -50.76 72.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -1.0 . . . . 1.78 109.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' C' ' 344' ' ' LEU . 81.5 mt -60.95 -34.48 74.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.38 108.937 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.84 -54.16 50.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 1.2 109.536 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.79 -28.47 69.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.436 -0.79 . . . . 2.12 109.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.57 -61.01 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.26 109.934 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.48 -38.89 85.73 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.29 -0.881 . . . . 0.4 109.48 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.97 -34.59 73.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 2.09 109.288 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' C' ' 350' ' ' LEU . 20.0 tp -64.89 -40.45 95.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.75 109.076 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -52.54 61.76 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.641 0.734 . . . . 2.19 109.087 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.59 -30.7 63.5 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.664 -0.647 . . . . 1.34 109.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.78 91.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.72 109.928 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.509 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.115 -0.991 . . . . 1.8 109.735 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.462 -0.569 . . . . 1.67 109.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 18.6 m-85 -93.57 157.46 16.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 0.61 109.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.0 m-85 -139.12 -173.31 3.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.874 . . . . 0.56 109.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.9 p -153.21 160.38 42.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.215 -0.928 . . . . 0.43 109.535 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.3 tp -147.98 133.6 18.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 0.35 109.377 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.89 . . . . 1.37 109.703 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' D' ' 341' ' ' PHE . 41.6 mt -123.65 110.84 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 0.48 109.46 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.32 145.87 45.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 2.08 109.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.76 5.52 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.3 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -1.092 . . . . 2.64 109.497 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 22.5 pt-20 -58.08 -43.93 87.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.38 -0.825 . . . . 2.22 109.414 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' D' ' 336' ' ' GLU . 0.5 OUTLIER -59.84 -40.39 88.36 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.286 -0.884 . . . . 2.74 109.673 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.4 -53.73 52.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.297 -0.877 . . . . 0.43 109.834 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.54 -36.31 33.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.69 110.133 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -63.39 -50.8 68.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.1 -1.0 . . . . 0.43 110.444 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.49 -52.2 66.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.988 -1.07 . . . . 0.27 109.314 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.06 -36.99 42.89 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.406 -0.808 . . . . 2.45 109.67 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.31 -50.78 72.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 1.75 109.797 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 344' ' ' LEU . 81.2 mt -60.99 -34.53 74.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.31 108.876 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.477 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.3 t-20 -58.9 -54.18 50.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.414 -0.804 . . . . 1.22 109.373 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.84 -28.52 69.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 1.73 109.78 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -61.08 2.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.28 109.985 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.2 mt -60.34 -38.93 85.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.292 -0.88 . . . . 0.31 109.5 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.07 -34.53 73.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.277 -0.89 . . . . 1.91 109.28 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.509 HD21 ' NE2' ' C' ' 354' ' ' GLN . 20.0 tp -64.92 -40.49 95.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.781 . . . . 0.43 109.06 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.15 -52.58 61.9 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.501 -0.749 . . . . 1.57 109.161 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.53 -30.7 63.37 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.706 -0.622 . . . . 1.44 109.946 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.85 91.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.64 109.901 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.428 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.964 . . . . 1.21 109.698 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.454 -0.573 . . . . 1.7 109.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.76 152.15 19.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.61 109.405 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.1 m-85 -137.73 -168.29 2.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.58 109.486 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 328' ' ' PHE . 10.9 p -153.47 155.18 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.42 109.252 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.81 133.01 16.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.091 -1.005 . . . . 0.36 109.754 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 7.2 tt0 -85.71 133.02 34.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.883 . . . . 1.37 109.154 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 341' ' ' PHE . 38.9 mt -123.7 114.0 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.47 109.747 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.29 44.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.429 -0.794 . . . . 2.1 109.442 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 98.17 134.05 8.21 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.4 ttm180 -77.02 -60.79 2.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -1.102 . . . . 2.68 109.416 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.97 -38.55 76.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 2.22 109.22 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.86 -44.64 94.03 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.309 -0.869 . . . . 2.77 109.413 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.68 -53.58 54.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.43 109.724 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -50.86 -37.33 42.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.186 -0.946 . . . . 1.66 110.074 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.61 -50.9 67.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.135 -0.978 . . . . 0.44 110.599 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.6 m-85 -60.23 -51.36 69.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.29 109.388 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -50.65 -42.08 56.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.435 -0.79 . . . . 2.44 109.795 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.31 -42.23 95.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.174 -0.954 . . . . 1.74 109.919 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' B' ' 344' ' ' LEU . 49.5 mt -62.2 -45.02 95.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.19 -0.944 . . . . 0.3 109.444 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.9 -47.81 81.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.287 -0.883 . . . . 1.22 109.551 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.16 -32.87 73.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 1.72 109.582 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -52.64 64.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.27 109.745 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.1 -40.29 93.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.359 -0.838 . . . . 0.29 109.477 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.95 -38.22 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 1.91 109.584 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.7 OUTLIER -64.6 -41.72 96.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 0.41 109.231 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.728 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.29 -45.46 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.549 -0.908 . . . . 1.56 108.549 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.94 -29.75 60.63 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.244 -0.65 . . . . 1.43 109.244 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.83 95.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.66 109.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 1.18 109.054 179.58 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.394 -0.595 . . . . 1.61 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -93.79 152.19 19.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.57 109.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.7 m-85 -137.78 -168.38 2.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.953 . . . . 0.53 109.632 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 328' ' ' PHE . 11.1 p -153.38 155.28 36.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.332 -0.855 . . . . 0.38 109.249 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.94 132.94 16.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.159 -0.963 . . . . 0.36 109.731 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 7.3 tt0 -85.65 133.09 34.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -0.937 . . . . 1.36 109.195 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.74 114.04 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.164 -0.96 . . . . 0.49 109.672 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 4.1 ttt180 -73.69 146.32 44.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.417 -0.802 . . . . 2.1 109.354 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 98.22 133.92 8.16 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.716 -1.353 . . . . 0.44 109.716 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.4 ttm180 -76.91 -60.93 2.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -1.132 . . . . 2.72 109.421 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.94 -38.29 75.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.391 -0.818 . . . . 2.21 109.281 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.99 -44.71 94.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.254 -0.904 . . . . 2.79 109.378 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.62 -53.69 53.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.428 -0.795 . . . . 0.45 109.683 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -50.77 -37.34 41.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.809 . . . . 1.68 110.031 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.75 -50.78 67.71 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.098 -1.001 . . . . 0.43 110.453 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.37 -51.33 69.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.197 -0.939 . . . . 0.28 109.313 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.67 -42.09 56.27 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.436 -0.79 . . . . 2.52 109.77 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.21 -42.31 94.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.226 -0.922 . . . . 1.75 109.931 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 344' ' ' LEU . 49.4 mt -62.18 -44.99 95.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.31 109.479 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.95 -47.74 82.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.436 -0.79 . . . . 1.21 109.539 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.81 73.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.391 -0.818 . . . . 1.69 109.572 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -52.58 64.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.27 109.822 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.11 -40.35 93.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.239 -0.913 . . . . 0.3 109.456 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.88 -38.23 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.883 . . . . 1.93 109.53 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -64.72 -41.69 95.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.375 -0.828 . . . . 0.4 109.199 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.592 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -60.31 -45.44 93.38 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.577 -0.897 . . . . 1.59 108.577 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -55.97 -29.77 60.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.165 -0.68 . . . . 1.43 109.165 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.81 95.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.485 -0.76 . . . . 0.65 109.143 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.19 109.076 179.507 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.46 -0.57 . . . . 2.11 109.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -93.77 152.22 19.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.214 -0.929 . . . . 0.64 109.425 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -137.74 -168.43 2.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.49 109.589 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.416 HG23 ' O ' ' C' ' 328' ' ' PHE . 11.0 p -153.36 155.13 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 0.47 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.85 132.99 16.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.42 109.684 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 7.2 tt0 -85.76 133.05 34.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 1.81 109.188 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' C' ' 341' ' ' PHE . 38.6 mt -123.65 113.93 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.112 -0.992 . . . . 0.42 109.724 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.32 44.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.381 -0.825 . . . . 2.35 109.45 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 98.22 133.97 8.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.688 -1.365 . . . . 0.41 109.688 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.488 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttm180 -77.05 -60.72 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.59 109.435 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.99 -38.42 76.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 2.54 109.243 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.91 -44.72 94.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.328 -0.857 . . . . 3.39 109.43 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -55.72 -53.53 55.51 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.373 -0.829 . . . . 0.47 109.731 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.78 -37.42 42.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 1.66 110.051 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.64 -50.79 67.91 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.192 -0.943 . . . . 0.61 110.604 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.4 m-85 -60.28 -51.45 69.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.123 -0.985 . . . . 0.33 109.298 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.63 -42.1 55.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.501 -0.749 . . . . 3.28 109.814 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.18 -42.38 94.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 109.936 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' D' ' 344' ' ' LEU . 49.5 mt -62.11 -44.98 95.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.38 109.537 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -57.86 -47.81 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.269 -0.895 . . . . 1.2 109.587 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.78 73.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.426 -0.796 . . . . 2.12 109.565 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.76 -52.54 64.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 0.26 109.764 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.04 -40.39 93.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.4 109.494 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.85 -38.19 81.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 2.09 109.605 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.671 HD12 ' HD3' ' D' ' 351' ' ' LYS . 0.7 OUTLIER -64.75 -41.61 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.75 109.296 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.35 -45.22 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.65 -0.87 . . . . 2.19 108.65 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -56.07 -29.82 61.09 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.143 -0.688 . . . . 1.34 109.143 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.7 94.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.378 -0.826 . . . . 0.72 109.181 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.94 . . . . 1.8 109.088 179.55 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.418 -0.586 . . . . 1.67 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.86 152.11 19.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.21 -0.931 . . . . 0.61 109.449 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.5 m-85 -137.59 -168.3 2.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.909 . . . . 0.56 109.607 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.41 HG23 ' O ' ' D' ' 328' ' ' PHE . 11.0 p -153.44 155.21 35.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.43 109.171 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 20.5 tp -149.94 133.01 16.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.35 109.698 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 7.2 tt0 -85.74 132.97 34.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 1.37 109.166 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' D' ' 341' ' ' PHE . 38.5 mt -123.59 113.93 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.085 -1.01 . . . . 0.48 109.769 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 4.1 ttt180 -73.57 146.41 44.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 2.08 109.402 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 98.11 133.92 8.14 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.4 ttm180 -76.96 -60.93 2.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -1.167 . . . . 2.64 109.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 2.22 109.235 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.87 -44.64 94.05 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.335 -0.853 . . . . 2.74 109.43 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -55.75 -53.59 54.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.444 -0.785 . . . . 0.43 109.673 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.87 -37.24 42.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.151 -0.968 . . . . 1.69 110.084 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.77 -50.83 67.48 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.196 -0.94 . . . . 0.43 110.479 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.409 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.2 m-85 -60.36 -51.31 70.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.27 109.339 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -50.6 -42.13 55.54 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.487 -0.758 . . . . 2.45 109.714 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.32 -42.31 95.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.198 -0.939 . . . . 1.75 109.836 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -62.15 -44.94 95.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.31 109.5 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.94 -47.89 81.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 1.22 109.496 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.06 -32.91 73.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 1.73 109.577 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -52.54 64.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.28 109.718 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.1 -40.45 93.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.31 109.458 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -59.73 -38.27 81.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.91 109.587 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.66 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -64.74 -41.66 95.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.336 -0.853 . . . . 0.43 109.21 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.671 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -60.3 -45.35 93.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.616 -0.883 . . . . 1.57 108.616 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -56.0 -29.8 60.86 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.248 -0.649 . . . . 1.44 109.248 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.83 95.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.385 -0.822 . . . . 0.64 109.129 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.359 -0.838 . . . . 1.21 109.067 179.536 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.287 0.565 . . . . 1.7 109.625 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 10.5 m-85 -94.16 153.06 18.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.61 109.442 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.22 -167.0 2.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.58 109.742 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 3.6 p -153.23 159.65 42.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.137 -0.977 . . . . 0.42 109.616 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.0 tp -149.82 134.89 17.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.36 109.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.451 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 12.7 tt0 -86.03 132.75 33.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.314 -0.867 . . . . 1.37 109.552 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.3 mt -124.01 118.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.47 109.524 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.63 148.16 43.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.96 . . . . 2.1 109.593 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.36 140.39 10.87 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.936 -1.266 . . . . 0.42 109.936 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.99 1.97 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 2.68 109.382 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -42.24 86.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.184 -0.947 . . . . 2.22 109.413 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.683 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.65 -40.67 92.88 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.246 -0.909 . . . . 2.77 109.453 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -55.14 -56.49 19.34 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.315 -0.866 . . . . 0.43 109.652 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -50.78 -32.06 18.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.66 109.833 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.08 -50.05 72.08 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.44 109.932 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.5 m-85 -60.91 -47.57 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.27 -0.894 . . . . 0.29 109.119 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.12 -42.86 60.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -0.837 . . . . 2.44 109.391 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -41.0 93.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 1.74 109.842 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' B' ' 344' ' ' LEU . 30.5 mt -62.0 -45.51 93.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.127 -0.983 . . . . 0.3 109.501 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' C' ' 330' ' ' LEU . 52.5 t30 -57.98 -49.23 77.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.289 -0.882 . . . . 1.22 109.862 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.41 -34.98 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 1.72 109.779 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.02 -50.95 72.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.27 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.708 HD13 ' NH1' ' C' ' 337' ' ' ARG . 63.7 mt -61.76 -36.94 82.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.294 -0.879 . . . . 0.29 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.45 -39.78 88.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 1.91 109.771 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -62.8 -47.28 84.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.41 109.945 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.95 -40.9 95.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.212 -0.93 . . . . 1.56 109.196 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.41 -32.56 64.96 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.573 -0.704 . . . . 1.43 109.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.23 83.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.66 109.576 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.278 -0.889 . . . . 1.18 109.592 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.338 0.59 . . . . 1.61 109.641 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.4 m-85 -94.22 153.09 18.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.57 109.422 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.6 m-85 -139.19 -167.13 2.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.095 -1.003 . . . . 0.53 109.755 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.5 p -153.15 159.73 42.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.38 109.603 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.3 tp -149.94 134.85 17.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.306 -0.871 . . . . 0.36 109.431 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -86.05 132.83 33.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.36 109.594 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.4 mt -124.09 119.02 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.293 -0.879 . . . . 0.49 109.456 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.65 148.28 42.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 2.1 109.659 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.33 140.48 10.93 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.896 -1.282 . . . . 0.44 109.896 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.96 1.98 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -1.12 . . . . 2.72 109.378 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -42.29 87.69 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.229 -0.92 . . . . 2.21 109.413 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.752 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -60.5 -40.64 92.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.29 -0.881 . . . . 2.79 109.48 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.2 t80 -55.37 -56.17 23.15 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.396 -0.815 . . . . 0.45 109.697 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.97 -31.89 19.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 1.68 109.88 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.15 -50.02 72.04 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.189 -0.944 . . . . 0.43 109.95 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.4 m-85 -60.9 -47.5 86.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.28 109.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -51.22 -42.91 61.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 2.52 109.417 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -41.08 93.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 1.75 109.83 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 344' ' ' LEU . 30.5 mt -61.99 -45.43 93.65 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.31 109.486 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.17 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.884 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.3 -35.09 76.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.282 -0.886 . . . . 1.69 109.78 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -50.78 72.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.27 109.505 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.787 HD13 ' NH1' ' D' ' 337' ' ' ARG . 64.7 mt -61.99 -36.8 82.59 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.374 -0.829 . . . . 0.3 109.199 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.62 -39.63 88.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 1.93 109.823 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' B' ' 350' ' ' LEU . 12.7 tp -62.86 -47.14 84.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.4 109.952 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -61.04 -40.85 95.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.23 -0.919 . . . . 1.59 109.189 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.36 -32.66 64.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.403 -0.811 . . . . 1.43 109.352 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.29 84.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 0.65 109.613 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.857 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 1.19 109.572 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.244 0.545 . . . . 2.11 109.683 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 10.4 m-85 -94.19 153.19 18.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 0.64 109.402 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.2 m-85 -139.28 -166.96 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.49 109.665 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.7 p -153.2 159.65 42.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.47 109.58 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 345' ' ' ASN . 19.9 tp -149.83 134.92 17.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.42 109.508 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 12.7 tt0 -86.12 132.77 33.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.25 -0.907 . . . . 1.81 109.584 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.0 mt -124.02 119.03 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.926 . . . . 0.42 109.51 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.72 148.05 43.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.307 -0.871 . . . . 2.35 109.591 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.44 140.57 11.02 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.863 -1.295 . . . . 0.41 109.863 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.6 ttt180 -83.29 -61.06 1.95 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.244 -1.151 . . . . 2.59 109.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.25 87.35 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.256 -0.903 . . . . 2.54 109.481 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.708 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -60.49 -40.5 91.55 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.158 -0.964 . . . . 3.39 109.599 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.3 t80 -55.38 -56.39 20.67 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.418 -0.801 . . . . 0.47 109.644 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -50.76 -32.01 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 1.66 109.802 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.08 -50.09 71.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.101 -0.999 . . . . 0.61 109.943 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -60.97 -47.6 85.67 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.207 -0.933 . . . . 0.33 109.048 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -51.13 -42.87 60.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 3.28 109.489 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -41.0 93.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.338 -0.851 . . . . 1.78 109.805 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' D' ' 344' ' ' LEU . 31.0 mt -62.11 -45.5 93.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.38 109.522 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.482 ' HB2' HD21 ' A' ' 330' ' ' LEU . 52.4 t30 -58.11 -49.04 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.2 109.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 4.7 mt-10 -61.42 -35.16 76.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 2.12 109.713 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -50.82 72.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.26 109.532 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.79 -36.94 82.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.428 -0.795 . . . . 0.4 109.257 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.54 -39.6 88.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.366 -0.834 . . . . 2.09 109.818 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' C' ' 350' ' ' LEU . 12.6 tp -62.89 -47.37 83.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.75 109.911 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.95 -40.82 94.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 2.19 109.152 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.44 -32.56 65.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.449 -0.782 . . . . 1.34 109.352 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.34 84.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.309 -0.869 . . . . 0.72 109.614 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.792 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.8 109.578 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.269 0.557 . . . . 1.67 109.638 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.7 m-85 -94.31 153.23 18.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.257 -0.902 . . . . 0.61 109.329 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.4 m-85 -139.35 -167.07 2.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.56 109.629 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.6 p -153.17 159.75 42.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.43 109.588 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.1 tp -149.9 134.76 17.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -0.959 . . . . 0.35 109.463 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 12.6 tt0 -86.0 132.84 33.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.205 -0.934 . . . . 1.37 109.626 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.7 mt -124.14 119.05 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.161 -0.962 . . . . 0.48 109.412 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.7 148.22 42.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 2.08 109.53 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.29 140.52 10.94 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.4 ttt180 -83.25 -60.86 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 2.64 109.499 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.38 88.1 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.323 -0.861 . . . . 2.22 109.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -60.45 -40.63 91.84 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.29 -0.881 . . . . 2.74 109.51 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.1 t80 -55.31 -56.31 21.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.489 -0.757 . . . . 0.43 109.607 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.91 -31.94 19.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.69 109.778 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.13 -49.97 72.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -0.953 . . . . 0.43 109.966 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.08 -47.66 85.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.224 -0.923 . . . . 0.27 109.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -42.94 60.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.45 109.416 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.99 93.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.289 -0.882 . . . . 1.75 109.88 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' C' ' 344' ' ' LEU . 31.1 mt -62.07 -45.47 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.31 109.518 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.446 ' HB2' HD21 ' B' ' 330' ' ' LEU . 52.2 t30 -58.04 -49.17 77.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.38 -0.825 . . . . 1.22 109.831 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.33 -35.17 76.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.73 109.74 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.88 -51.06 71.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.255 -0.903 . . . . 0.28 109.536 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' NH1' ' B' ' 337' ' ' ARG . 63.7 mt -61.79 -36.76 82.03 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.295 -0.878 . . . . 0.31 109.333 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.63 -39.69 89.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.91 109.753 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.792 HD21 ' NE2' ' C' ' 354' ' ' GLN . 12.6 tp -62.73 -47.31 84.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.43 109.94 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 9.5 ttmt -60.89 -40.92 94.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.398 -0.814 . . . . 1.57 109.265 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.42 -32.54 64.95 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.479 -0.763 . . . . 1.44 109.318 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.44 84.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.377 -0.827 . . . . 0.64 109.533 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.257 -0.902 . . . . 1.21 109.611 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.492 -0.559 . . . . 1.7 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -93.9 156.63 16.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.61 109.445 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.2 m-85 -139.11 -168.99 2.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.894 . . . . 0.58 109.425 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 11.2 p -152.78 161.09 43.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 0.42 109.573 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.2 tp -147.87 130.92 16.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.36 109.423 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.74 130.99 34.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 1.37 109.715 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.92 121.09 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.154 -0.966 . . . . 0.47 109.472 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -73.75 147.92 43.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 2.1 109.506 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 139.2 7.64 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.791 -1.324 . . . . 0.42 109.791 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 22.8 ttp180 -82.78 -55.12 4.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.372 -1.075 . . . . 2.68 109.519 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -58.41 -44.62 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.39 -0.819 . . . . 2.22 109.477 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -41.94 94.76 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.144 -0.972 . . . . 2.77 109.262 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 52.8 t80 -55.93 -52.12 65.23 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.46 -0.775 . . . . 0.43 109.78 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.46 -36.13 32.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.418 -0.801 . . . . 1.66 110.086 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -62.82 -48.44 79.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.117 -0.989 . . . . 0.44 110.011 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 24.3 m-85 -60.96 -49.06 78.99 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.283 -0.886 . . . . 0.29 109.332 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.13 -41.99 60.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.44 -0.788 . . . . 2.44 109.599 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.17 -41.65 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 1.74 109.847 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 344' ' ' LEU . 28.4 mt -62.08 -45.87 91.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.3 109.524 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.4 t30 -57.59 -45.24 85.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.22 109.519 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.06 -37.31 84.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 1.72 109.777 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -50.67 72.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.3 -0.875 . . . . 0.27 109.918 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.689 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.2 mt -61.11 -40.45 93.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 0.29 109.696 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.94 -39.02 87.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 1.91 109.99 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.601 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.6 tp -64.03 -44.53 92.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.41 109.881 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 26.5 ttmt -62.14 -43.09 99.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 1.56 109.341 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.92 -33.35 66.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.505 -0.747 . . . . 1.43 109.803 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.59 79.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.66 109.772 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' B' ' 350' ' ' LEU . 5.1 mt-30 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.183 -0.948 . . . . 1.18 109.516 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.464 -0.569 . . . . 1.61 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.91 156.56 16.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.57 109.489 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 74.1 m-85 -139.1 -168.96 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.53 109.519 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 11.3 p -152.72 161.06 43.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.141 -0.975 . . . . 0.38 109.642 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -147.84 130.82 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.927 . . . . 0.36 109.385 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 45.6 tt0 -86.68 130.95 34.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 1.36 109.756 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' B' ' 341' ' ' PHE . 44.6 mt -123.84 121.02 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.939 . . . . 0.49 109.552 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.68 147.86 43.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 2.1 109.609 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.31 139.23 7.71 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.799 -1.32 . . . . 0.44 109.799 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 22.9 ttp180 -82.84 -55.18 4.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -1.157 . . . . 2.72 109.462 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.39 -44.53 89.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.21 109.511 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.38 -42.01 94.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.252 -0.905 . . . . 2.79 109.345 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.5 t80 -55.74 -52.27 64.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -0.81 . . . . 0.45 109.782 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.5 -36.14 32.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.68 110.07 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.79 -48.29 79.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.134 -0.979 . . . . 0.43 110.095 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.629 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 24.1 m-85 -61.02 -49.3 77.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.945 . . . . 0.28 109.223 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -50.9 -42.07 58.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 2.52 109.627 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -0.893 . . . . 1.75 109.824 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' A' ' 344' ' ' LEU . 28.2 mt -62.11 -45.91 91.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.31 109.495 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.6 t30 -57.62 -45.26 85.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.392 -0.818 . . . . 1.21 109.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.97 -37.33 84.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.872 . . . . 1.69 109.819 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.01 -50.6 73.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.185 -0.947 . . . . 0.27 109.915 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.611 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 20.1 mt -61.19 -40.48 94.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.338 -0.851 . . . . 0.3 109.729 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.84 -39.0 87.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 1.93 110.02 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 354' ' ' GLN . 12.6 tp -63.99 -44.56 92.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.4 109.921 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 26.6 ttmt -62.13 -43.13 99.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 1.59 109.31 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -56.99 -33.31 66.99 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.464 -0.773 . . . . 1.43 109.799 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.41 79.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.859 . . . . 0.65 109.789 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.601 ' NE2' HD21 ' A' ' 350' ' ' LEU . 5.2 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 1.19 109.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.493 -0.558 . . . . 2.11 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -93.84 156.61 16.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.64 109.521 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.5 m-85 -139.07 -168.88 2.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.49 109.524 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.3 p -152.86 160.91 43.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.106 -0.996 . . . . 0.47 109.693 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -147.75 130.93 16.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.42 109.419 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 45.6 tt0 -86.81 131.03 34.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.81 109.705 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.4 mt -123.94 121.0 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 0.42 109.495 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -73.73 147.87 43.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 2.35 109.546 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 139.07 7.58 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.836 -1.306 . . . . 0.41 109.836 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.8 ttp180 -82.63 -55.12 4.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.361 -1.082 . . . . 2.59 109.51 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.48 -44.47 89.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.35 -0.844 . . . . 2.54 109.385 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.54 -41.99 95.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 3.39 109.2 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.0 t80 -55.79 -52.19 64.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.47 109.801 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -50.55 -36.03 32.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 1.66 110.05 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.88 -48.37 79.3 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.162 -0.961 . . . . 0.61 109.925 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.689 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 24.0 m-85 -61.06 -49.09 78.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.204 -0.935 . . . . 0.33 109.24 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.12 -42.04 60.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.493 -0.754 . . . . 3.28 109.578 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.09 -41.64 92.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 1.78 109.809 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' D' ' 344' ' ' LEU . 28.6 mt -62.11 -45.87 91.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.38 109.505 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.3 t30 -57.6 -45.26 85.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 1.2 109.487 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -62.01 -37.44 84.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.317 -0.864 . . . . 2.12 109.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.92 -50.62 73.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.189 -0.944 . . . . 0.26 109.99 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.634 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.5 mt -61.25 -40.39 93.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.4 109.707 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -39.04 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 2.09 109.979 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.789 HD21 ' NE2' ' D' ' 354' ' ' GLN . 12.6 tp -63.99 -44.5 92.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.75 109.96 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.487 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 26.5 ttmt -62.03 -43.24 99.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 2.19 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.51 -0.744 . . . . 1.34 109.735 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.45 79.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 0.72 109.781 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.446 ' NE2' HD21 ' D' ' 350' ' ' LEU . 5.2 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.8 109.412 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.428 -0.582 . . . . 1.67 109.428 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -93.98 156.69 16.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.912 . . . . 0.61 109.332 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.15 -168.98 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.56 109.463 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.1 p -152.84 160.95 43.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.11 -0.994 . . . . 0.43 109.657 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.4 tp -147.73 130.81 16.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.35 109.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 45.7 tt0 -86.78 131.08 34.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.233 -0.917 . . . . 1.37 109.694 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' D' ' 341' ' ' PHE . 44.6 mt -123.94 121.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.48 109.474 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.65 147.8 43.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.308 -0.87 . . . . 2.08 109.538 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.36 139.26 7.75 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.798 -1.321 . . . . 0.4 109.798 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.9 ttp180 -82.8 -55.19 4.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.348 -1.09 . . . . 2.64 109.488 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -58.3 -44.74 88.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.368 -0.833 . . . . 2.22 109.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.28 -41.97 94.46 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.284 -0.885 . . . . 2.74 109.332 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.3 t80 -55.83 -52.19 64.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.43 109.822 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.41 -36.22 31.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.69 110.067 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.81 -48.3 79.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.971 . . . . 0.43 110.035 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 24.3 m-85 -60.97 -49.22 78.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.18 -0.95 . . . . 0.27 109.259 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.1 -41.95 60.32 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.474 -0.766 . . . . 2.45 109.56 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.25 -41.53 93.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 1.75 109.799 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' C' ' 344' ' ' LEU . 28.5 mt -62.1 -45.88 91.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.31 109.564 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.4 t30 -57.64 -45.22 85.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.22 109.5 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.03 -37.24 84.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.73 109.862 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -50.62 73.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.315 -0.865 . . . . 0.28 109.918 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.629 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.27 -40.45 94.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.334 -0.854 . . . . 0.31 109.719 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.79 -38.96 87.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.282 -0.886 . . . . 1.91 109.963 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 12.6 tp -64.19 -44.51 91.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 0.43 109.792 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -62.01 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 1.57 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -57.04 -33.31 67.09 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.56 -0.712 . . . . 1.44 109.677 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.48 79.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.344 -0.847 . . . . 0.64 109.755 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' C' ' 350' ' ' LEU . 5.1 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 1.21 109.432 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.1 mt-10 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.322 -0.621 . . . . 1.7 109.322 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 20.6 m-85 -94.87 146.97 23.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.61 109.693 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 46.4 m-85 -140.37 140.19 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.58 109.418 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.27 171.68 8.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 0.42 109.627 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.1 tp -149.75 134.08 17.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.36 109.681 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.73 122.91 31.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.37 109.5 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -124.16 109.12 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.344 -0.847 . . . . 0.47 109.805 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -74.5 146.01 43.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.916 . . . . 2.1 109.47 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.68 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.889 -1.285 . . . . 0.42 109.889 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.3 ttt180 -80.73 -54.46 5.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -1.146 . . . . 2.68 109.27 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.58 -44.7 89.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 2.22 109.281 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.28 -44.43 95.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.429 -0.794 . . . . 2.77 109.522 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' C' ' 330' ' ' LEU . 37.8 t80 -54.61 -54.18 44.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.43 109.526 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.5 -39.07 56.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.318 -0.864 . . . . 1.66 110.073 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.63 -47.03 85.51 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.192 -0.943 . . . . 0.44 110.212 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -49.51 76.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.125 -0.984 . . . . 0.29 109.352 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.05 -39.6 56.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 2.44 109.394 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.29 -43.08 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 1.74 109.73 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' B' ' 344' ' ' LEU . 97.1 mt -62.46 -44.98 95.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.3 -0.875 . . . . 0.3 109.52 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.74 -45.52 85.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.852 . . . . 1.22 109.734 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.54 -37.18 85.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 1.72 109.645 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.98 -52.05 67.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.27 109.936 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.304 -0.873 . . . . 0.29 109.551 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -59.56 -37.37 78.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 1.91 109.478 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.68 HD21 ' NE2' ' B' ' 354' ' ' GLN . 14.4 tp -63.53 -40.67 97.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 0.41 109.094 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -52.52 63.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.025 -0.731 . . . . 1.56 109.025 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.51 -29.79 62.25 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.616 -0.677 . . . . 1.43 109.679 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.05 92.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.347 -0.846 . . . . 0.66 109.699 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.792 ' NE2' HD21 ' B' ' 350' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.18 109.551 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.264 -0.643 . . . . 1.61 109.264 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 21.0 m-85 -94.86 147.05 23.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.57 109.585 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 45.7 m-85 -140.47 140.19 35.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.868 . . . . 0.53 109.39 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.4 p -92.25 171.64 8.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.447 -0.783 . . . . 0.38 109.601 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' B' ' 330' ' ' LEU . 25.3 tp -149.77 134.13 17.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.36 109.604 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.84 122.91 31.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 1.36 109.517 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.14 108.95 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.49 109.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -74.43 145.99 43.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.201 -0.937 . . . . 2.1 109.532 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.69 134.8 8.64 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.876 -1.29 . . . . 0.44 109.876 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.2 ttt180 -80.76 -54.31 5.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -1.121 . . . . 2.72 109.312 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.66 -44.71 90.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 2.21 109.356 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.44 95.15 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.344 -0.848 . . . . 2.79 109.606 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' D' ' 330' ' ' LEU . 37.7 t80 -54.53 -54.31 42.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.348 -0.845 . . . . 0.45 109.557 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.55 -38.97 56.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -0.861 . . . . 1.68 110.061 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.54 -47.08 85.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.154 -0.966 . . . . 0.43 110.217 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -49.49 76.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.138 -0.976 . . . . 0.28 109.256 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -50.94 -39.54 55.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 2.52 109.541 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.39 -43.02 97.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.185 -0.947 . . . . 1.75 109.689 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 344' ' ' LEU . 96.6 mt -62.56 -44.84 95.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.31 109.617 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.8 -45.5 85.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.321 -0.862 . . . . 1.21 109.777 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.53 -37.19 85.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 1.69 109.643 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.0 -51.94 67.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.27 109.985 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.27 -40.78 95.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.331 -0.856 . . . . 0.3 109.527 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.6 -37.22 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.93 109.463 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.792 HD21 ' NE2' ' A' ' 354' ' ' GLN . 14.4 tp -63.7 -40.56 97.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.271 -0.893 . . . . 0.4 109.173 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -52.59 63.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.065 -0.717 . . . . 1.59 109.065 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.5 -29.78 62.23 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.647 -0.658 . . . . 1.43 109.716 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.12 92.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.65 109.733 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.68 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.114 -0.991 . . . . 1.19 109.56 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 47.3 mt-10 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.31 -0.626 . . . . 2.11 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 21.1 m-85 -94.89 146.98 23.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.64 109.612 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 46.3 m-85 -140.4 140.18 35.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.188 -0.945 . . . . 0.49 109.362 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.5 p -92.22 171.75 8.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.885 . . . . 0.47 109.659 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' A' ' 338' ' ' PHE . 25.2 tp -149.8 133.98 17.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 0.42 109.685 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.65 122.92 31.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.81 109.562 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.2 108.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.188 -0.945 . . . . 0.42 109.878 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -74.34 146.04 43.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 2.35 109.486 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.63 134.79 8.64 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.992 -1.243 . . . . 0.41 109.992 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.2 ttt180 -80.66 -54.52 5.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -1.084 . . . . 2.59 109.296 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.51 -44.84 89.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.201 -0.937 . . . . 2.54 109.297 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.37 95.2 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.252 -0.905 . . . . 3.39 109.64 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.62 -54.27 43.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.851 . . . . 0.47 109.493 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -51.51 -38.93 56.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 1.66 110.141 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.59 -47.18 84.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.175 -0.953 . . . . 0.61 110.15 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.3 -49.44 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.92 . . . . 0.33 109.327 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.0 -39.55 56.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.35 -0.844 . . . . 3.28 109.518 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.257 -0.902 . . . . 1.78 109.739 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' D' ' 344' ' ' LEU . 96.8 mt -62.5 -44.87 95.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.875 . . . . 0.38 109.597 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -45.52 86.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.2 109.708 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.44 -37.24 85.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.921 . . . . 2.12 109.647 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.02 -51.99 67.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.26 109.929 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.22 -40.77 95.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 0.4 109.615 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.55 -37.24 77.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.237 -0.915 . . . . 2.09 109.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.809 HD21 ' NE2' ' D' ' 354' ' ' GLN . 14.4 tp -63.67 -40.6 97.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 0.75 109.105 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -52.56 63.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.429 -0.794 . . . . 2.19 109.056 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.41 -29.86 62.08 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.644 -0.66 . . . . 1.34 109.707 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.03 92.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.72 109.699 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.623 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.8 109.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.366 -0.605 . . . . 1.67 109.366 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 20.6 m-85 -94.9 147.05 23.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.894 . . . . 0.61 109.561 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 46.0 m-85 -140.44 140.15 35.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.956 . . . . 0.56 109.388 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.22 171.71 8.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.43 109.61 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' B' ' 338' ' ' PHE . 25.2 tp -149.78 134.03 17.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.202 -0.936 . . . . 0.35 109.682 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 122.86 31.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.847 . . . . 1.37 109.551 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.21 109.09 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.938 . . . . 0.48 109.768 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -74.48 146.15 43.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 2.08 109.477 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.53 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.925 -1.27 . . . . 0.4 109.925 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.2 ttt180 -80.63 -54.45 5.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -1.149 . . . . 2.64 109.326 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.55 -44.81 89.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.336 -0.852 . . . . 2.22 109.309 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.42 95.15 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.425 -0.797 . . . . 2.74 109.58 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.6 -54.3 43.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 0.43 109.446 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.47 -39.0 56.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 1.69 110.151 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.6 -47.05 85.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.12 -0.988 . . . . 0.43 110.177 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.31 -49.42 77.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.27 109.378 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.15 -39.33 56.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 2.45 109.549 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.44 -42.96 97.17 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 1.75 109.737 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -62.66 -44.83 95.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.292 -0.88 . . . . 0.31 109.469 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -57.94 -45.62 86.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 1.22 109.686 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.29 -37.22 84.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.73 109.701 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.04 -51.89 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.28 109.975 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.29 -40.86 95.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.31 109.509 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.56 -37.29 78.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 1.91 109.473 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.623 HD21 ' NE2' ' C' ' 354' ' ' GLN . 14.4 tp -63.55 -40.55 97.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 0.43 109.207 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -52.53 63.14 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.495 -0.753 . . . . 1.57 109.142 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -56.48 -29.71 62.08 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.594 -0.691 . . . . 1.44 109.796 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.18 92.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.64 109.685 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.809 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.489 1.484 0 O-C-N 121.078 -1.013 . . . . 1.21 109.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.319 -0.623 . . . . 1.7 109.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 5.2 m-85 -94.14 157.16 16.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.136 -0.977 . . . . 0.61 109.615 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.1 m-85 -140.1 -167.76 2.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.293 -0.879 . . . . 0.58 109.604 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 15.7 p -153.06 160.11 42.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.42 109.534 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.4 tp -147.91 134.27 19.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.36 109.358 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.97 128.11 34.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 1.37 109.397 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.98 118.19 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.149 -0.969 . . . . 0.47 109.582 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 152.59 40.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 2.1 109.457 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.72 130.61 2.5 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.2 ttt180 -78.67 -47.76 16.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -1.199 . . . . 2.68 109.294 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.38 -50.37 73.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.866 . . . . 2.22 109.407 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.59 -39.13 86.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.432 -0.793 . . . . 2.77 109.383 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' C' ' 329' ' ' THR . 60.1 t80 -55.13 -55.41 31.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.392 -0.818 . . . . 0.43 109.411 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -50.78 -38.55 48.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 1.66 110.108 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.41 -48.85 77.91 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.244 -0.91 . . . . 0.44 110.242 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.46 -52.85 63.44 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.157 -0.965 . . . . 0.29 109.305 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -50.93 -38.96 53.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 2.44 109.739 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.71 -43.63 97.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.137 -0.977 . . . . 1.74 109.799 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 344' ' ' LEU . 72.7 mt -62.3 -41.41 98.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.124 -0.985 . . . . 0.3 109.395 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.31 -50.31 74.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.22 109.664 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.42 ' HB3' ' HZ1' ' B' ' 351' ' ' LYS . 1.2 mm-40 -62.98 -33.3 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -0.834 . . . . 1.72 110.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.65 -52.71 64.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.111 -0.993 . . . . 0.27 109.961 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.74 -40.61 93.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 0.29 109.598 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.88 -36.73 77.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.91 109.573 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.604 HD21 ' NE2' ' B' ' 354' ' ' GLN . 14.3 tp -64.36 -42.31 96.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.221 -0.924 . . . . 0.41 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.51 -48.65 80.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 1.56 108.9 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.87 -30.46 63.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.721 -0.612 . . . . 1.43 109.664 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.05 89.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.327 -0.858 . . . . 0.66 109.72 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.455 ' NE2' HD21 ' B' ' 350' ' ' LEU . 32.4 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.18 109.704 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.343 -0.614 . . . . 1.61 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 5.3 m-85 -94.19 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.57 109.519 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.1 m-85 -140.24 -167.75 2.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.53 109.646 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 14.9 p -152.91 160.38 43.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.23 -0.919 . . . . 0.38 109.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.6 tp -148.1 134.15 19.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.36 109.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 1.0 OUTLIER -85.8 128.05 34.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 1.36 109.437 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.97 118.21 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.49 109.653 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 152.81 39.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.291 -0.88 . . . . 2.1 109.391 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.56 130.77 2.47 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.751 -1.34 . . . . 0.44 109.751 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 35.5 ttt180 -78.87 -47.63 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -1.066 . . . . 2.72 109.318 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.63 -50.12 75.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 2.21 109.477 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.318 -0.863 . . . . 2.79 109.383 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.4 t80 -55.02 -55.45 30.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.313 -0.867 . . . . 0.45 109.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -50.83 -38.62 49.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 1.68 109.909 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.42 -48.86 77.83 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.201 -0.937 . . . . 0.43 110.093 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.47 -52.67 64.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.136 -0.977 . . . . 0.28 109.325 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -51.03 -38.9 54.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.433 -0.792 . . . . 2.52 109.829 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -60.68 -43.67 97.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 1.75 109.86 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' B' ' 344' ' ' LEU . 72.9 mt -62.31 -41.49 98.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.123 -0.986 . . . . 0.31 109.368 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.24 -50.24 74.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.372 -0.83 . . . . 1.21 109.628 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.86 -33.49 75.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.271 -0.893 . . . . 1.69 110.071 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.78 -52.55 64.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.27 109.99 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.72 -40.92 94.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.3 109.632 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.68 -36.81 77.21 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 1.93 109.615 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.455 HD21 ' NE2' ' A' ' 354' ' ' GLN . 14.3 tp -64.26 -42.25 96.57 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.184 -0.948 . . . . 0.4 109.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 346' ' ' GLU . 5.6 ttmm -61.51 -48.8 79.41 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.888 -0.782 . . . . 1.59 108.888 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.74 -30.59 63.72 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.604 -0.685 . . . . 1.43 109.715 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.05 89.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.65 109.721 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.604 ' NE2' HD21 ' A' ' 350' ' ' LEU . 33.5 mt-30 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 1.19 109.641 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.195 -0.668 . . . . 2.11 109.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 5.5 m-85 -94.28 157.21 16.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.64 109.545 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.2 m-85 -140.15 -167.81 2.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.49 109.661 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 15.3 p -153.06 159.81 42.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.47 109.615 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -147.61 134.43 20.1 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.32 -0.862 . . . . 0.42 109.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.02 127.86 34.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 1.81 109.392 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.75 118.27 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.42 109.601 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 152.87 39.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.875 . . . . 2.35 109.419 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.26 130.74 2.35 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.73 -1.348 . . . . 0.41 109.73 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.4 ttt180 -78.87 -47.65 16.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -1.126 . . . . 2.59 109.293 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.44 -50.28 74.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 2.54 109.355 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.63 -39.16 87.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.317 -0.864 . . . . 3.39 109.453 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 329' ' ' THR . 60.3 t80 -55.17 -55.31 32.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.47 109.438 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -50.96 -38.42 50.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 1.66 110.016 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -62.43 -48.89 77.69 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.214 -0.929 . . . . 0.61 110.223 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.38 -52.69 64.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.131 -0.981 . . . . 0.33 109.394 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -38.92 54.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.45 -0.781 . . . . 3.28 109.806 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.65 -43.68 97.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 1.78 109.854 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' C' ' 344' ' ' LEU . 71.5 mt -62.39 -41.33 98.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.103 -0.998 . . . . 0.38 109.367 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.29 -50.5 73.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.2 109.611 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.91 -33.13 74.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.12 110.214 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -52.82 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 0.26 109.989 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.77 -40.6 93.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.246 -0.909 . . . . 0.4 109.579 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.83 -36.97 77.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 2.09 109.615 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.632 HD21 ' NE2' ' D' ' 354' ' ' GLN . 14.2 tp -64.1 -42.21 96.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 0.75 109.355 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.533 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 5.6 ttmm -61.67 -48.65 79.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.396 -0.815 . . . . 2.19 108.956 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.77 -30.42 63.6 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.665 -0.647 . . . . 1.34 109.747 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.09 89.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.72 109.806 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' D' ' 350' ' ' LEU . 33.5 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.207 -0.933 . . . . 1.8 109.651 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.141 -0.689 . . . . 1.67 109.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 5.2 m-85 -94.18 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.61 109.447 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.3 m-85 -140.23 -167.68 2.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.925 . . . . 0.56 109.594 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 15.2 p -152.82 160.5 43.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.959 . . . . 0.43 109.541 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.4 tp -148.37 134.03 18.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.35 109.404 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -85.74 128.15 34.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 1.37 109.419 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -123.96 118.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.48 109.578 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 152.45 40.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 2.08 109.399 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 130.65 2.56 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.694 -1.362 . . . . 0.4 109.694 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 35.7 ttt180 -78.78 -47.51 16.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -1.199 . . . . 2.64 109.305 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.74 -50.27 74.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.163 -0.96 . . . . 2.22 109.369 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.61 -39.04 86.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.348 -0.845 . . . . 2.74 109.393 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 60.6 t80 -55.1 -55.32 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.43 109.536 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -50.86 -38.62 50.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.487 -0.758 . . . . 1.69 110.021 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.51 -48.61 78.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.28 -0.888 . . . . 0.43 110.255 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.57 -52.74 63.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.02 . . . . 0.27 109.34 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.462 -0.774 . . . . 2.45 109.836 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -60.74 -43.55 97.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.935 . . . . 1.75 109.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' D' ' 344' ' ' LEU . 71.5 mt -62.37 -41.64 98.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.31 109.333 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -58.16 -50.3 73.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -0.847 . . . . 1.22 109.638 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.462 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.2 mm-40 -62.96 -33.5 75.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 1.73 110.152 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.65 -52.53 65.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.28 110.038 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.77 -40.95 94.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.269 -0.895 . . . . 0.31 109.592 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.65 -36.77 77.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 1.91 109.562 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 14.0 tp -64.31 -42.24 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.202 -0.936 . . . . 0.43 109.429 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.56 -48.68 79.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.379 -0.826 . . . . 1.57 108.957 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -56.73 -30.52 63.61 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.602 -0.686 . . . . 1.44 109.695 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.16 90.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.302 -0.874 . . . . 0.64 109.725 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.632 ' NE2' HD21 ' C' ' 350' ' ' LEU . 32.3 mt-30 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 1.21 109.585 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.116 0.484 . . . . 1.7 109.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -98.93 159.36 15.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.114 -0.991 . . . . 0.61 109.514 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -139.43 -169.71 2.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.839 . . . . 0.58 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 20.8 p -153.09 158.64 42.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.42 109.54 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.67 132.96 16.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.874 . . . . 0.36 109.475 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.73 33.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 1.37 109.257 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.4 mt -123.61 117.06 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -0.95 . . . . 0.47 109.412 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.36 149.89 42.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 2.1 109.523 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.31 0.94 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.624 -1.39 . . . . 0.42 109.624 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -68.75 -47.14 67.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -1.126 . . . . 2.68 109.55 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.06 -48.19 80.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 2.22 109.625 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.53 -38.25 83.83 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.325 -0.86 . . . . 2.77 109.567 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' A' ' 332' ' ' ILE . 65.9 t80 -54.97 -54.41 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.43 109.776 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.51 50.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.66 110.026 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -62.98 -48.08 80.37 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.13 -0.981 . . . . 0.44 110.197 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.456 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.2 m-85 -60.86 -51.98 67.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.29 109.321 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.13 -38.62 53.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.346 -0.846 . . . . 2.44 109.737 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.22 97.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.105 -0.997 . . . . 1.74 109.959 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 54.4 mt -62.02 -44.06 97.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -0.854 . . . . 0.3 109.486 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -47.55 82.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.314 -0.866 . . . . 1.22 109.674 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.61 -34.17 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 1.72 109.818 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -55.9 28.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.27 109.807 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.15 -35.86 78.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.29 109.314 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.88 -39.13 84.27 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 1.91 109.338 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.671 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -63.83 -39.04 93.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.41 109.376 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.67 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.355 -0.841 . . . . 1.56 108.943 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.29 -30.66 60.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.76 -0.588 . . . . 1.43 109.576 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.59 -49.12 69.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.66 109.381 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.889 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.913 . . . . 1.18 109.444 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.031 0.444 . . . . 1.61 109.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -99.01 159.42 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.162 -0.961 . . . . 0.57 109.478 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 70.0 m-85 -139.43 -169.72 2.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.348 -0.845 . . . . 0.53 109.38 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.6 p -153.09 158.69 42.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.976 . . . . 0.38 109.502 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.71 133.0 16.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.893 . . . . 0.36 109.497 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.92 134.78 33.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.256 -0.903 . . . . 1.36 109.262 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.0 mt -123.78 116.98 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.107 -0.995 . . . . 0.49 109.385 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -73.29 149.92 42.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.899 . . . . 2.1 109.535 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.09 122.22 0.94 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.627 -1.389 . . . . 0.44 109.627 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -68.7 -47.08 67.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -1.132 . . . . 2.72 109.62 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -58.02 -48.35 80.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.958 . . . . 2.21 109.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.43 -38.28 83.6 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.334 -0.854 . . . . 2.79 109.526 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.599 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.6 t80 -54.95 -54.49 42.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.435 -0.791 . . . . 0.45 109.724 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.46 49.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 1.68 110.077 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.01 -48.06 80.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.097 -1.002 . . . . 0.43 110.248 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.4 m-85 -60.94 -51.89 67.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.28 109.359 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -51.03 -38.79 53.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.33 -0.856 . . . . 2.52 109.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.99 -44.23 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.198 -0.939 . . . . 1.75 109.96 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 54.2 mt -62.15 -43.77 98.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -0.853 . . . . 0.31 109.574 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.11 -47.43 83.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 1.21 109.693 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.65 -34.16 76.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 1.69 109.792 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -55.82 29.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.27 109.821 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.21 -35.85 78.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.37 -0.831 . . . . 0.3 109.341 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.327 -0.858 . . . . 1.93 109.383 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.889 HD21 ' NE2' ' A' ' 354' ' ' GLN . 12.7 tp -63.96 -39.0 93.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 0.4 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.05 -49.64 75.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 1.59 108.966 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.28 -30.59 60.42 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.64 -0.663 . . . . 1.43 109.663 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.73 -49.15 69.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.65 109.397 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.671 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.268 -0.895 . . . . 1.19 109.597 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.061 0.458 . . . . 2.11 109.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -99.04 159.41 14.99 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.078 -1.014 . . . . 0.64 109.401 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -139.45 -169.68 2.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.49 109.38 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 20.7 p -153.12 158.58 42.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.47 109.603 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.61 133.07 16.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.337 -0.852 . . . . 0.42 109.397 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 134.73 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.81 109.359 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.604 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.5 mt -123.71 116.91 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.178 -0.951 . . . . 0.42 109.473 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.12 149.88 42.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 2.35 109.506 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.15 122.09 0.94 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.638 -1.385 . . . . 0.41 109.638 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -68.53 -47.17 67.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -1.137 . . . . 2.59 109.665 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.96 -48.28 80.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 2.54 109.608 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.52 -38.23 83.74 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.349 -0.844 . . . . 3.39 109.469 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.4 t80 -55.05 -54.4 43.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.436 -0.79 . . . . 0.47 109.681 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.54 -37.52 49.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.371 -0.831 . . . . 1.66 110.044 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.02 -47.98 80.73 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.158 -0.964 . . . . 0.61 110.228 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.2 m-85 -60.95 -51.9 67.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.33 109.382 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.1 -38.67 53.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 3.28 109.734 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.02 -44.25 97.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.966 . . . . 1.78 109.929 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' D' ' 344' ' ' LEU . 54.2 mt -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.154 -0.966 . . . . 0.38 109.5 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -57.98 -47.41 83.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 1.2 109.797 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.67 -34.2 76.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 2.12 109.718 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.91 -55.78 29.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.26 109.781 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.21 -35.98 78.65 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.24 -0.912 . . . . 0.4 109.214 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.79 -39.18 84.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 2.09 109.373 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.715 HD21 ' NE2' ' D' ' 354' ' ' GLN . 12.7 tp -63.7 -39.24 93.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -0.86 . . . . 0.75 109.33 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.65 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.875 . . . . 2.19 109.073 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.15 -30.7 60.37 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.63 -0.669 . . . . 1.34 109.706 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -49.0 70.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.222 -0.924 . . . . 0.72 109.429 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.778 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.862 . . . . 1.8 109.536 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.105 0.479 . . . . 1.67 109.971 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -98.86 159.39 14.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.051 -1.031 . . . . 0.61 109.554 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.1 m-85 -139.4 -169.74 2.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.56 109.409 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.1 158.53 42.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.115 -0.991 . . . . 0.43 109.604 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.64 132.99 16.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.294 -0.879 . . . . 0.35 109.458 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.78 33.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.915 . . . . 1.37 109.303 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.596 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.77 117.03 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.131 -0.98 . . . . 0.48 109.395 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -73.27 149.84 42.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 2.08 109.527 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.17 121.99 0.93 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.691 -1.364 . . . . 0.4 109.691 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -68.47 -47.08 68.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 2.64 109.764 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.04 -48.13 81.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.923 . . . . 2.22 109.731 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.6 -38.24 84.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.213 -0.93 . . . . 2.74 109.491 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' D' ' 332' ' ' ILE . 65.7 t80 -55.0 -54.38 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.43 109.797 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.54 -37.45 49.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 1.69 110.081 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -63.15 -48.03 80.17 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.152 -0.968 . . . . 0.43 110.126 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.3 m-85 -60.9 -51.96 67.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.27 109.383 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.01 -38.79 53.48 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.407 -0.808 . . . . 2.45 109.685 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.18 97.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.174 -0.954 . . . . 1.75 109.939 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' C' ' 344' ' ' LEU . 54.6 mt -62.13 -43.9 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.31 109.556 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.09 -47.4 83.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.171 -0.956 . . . . 1.22 109.679 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.78 -34.08 76.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.73 109.661 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -55.95 27.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 0.28 109.801 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.97 -35.95 78.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.43 -0.794 . . . . 0.31 109.454 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.83 -39.23 84.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.91 109.333 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.778 HD21 ' NE2' ' C' ' 354' ' ' GLN . 12.7 tp -63.79 -39.08 93.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.43 109.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -49.64 75.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 1.57 108.986 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.27 -30.74 60.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.712 -0.617 . . . . 1.44 109.619 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.13 70.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.64 109.46 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.715 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.21 109.539 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.581 -0.525 . . . . 1.7 109.581 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.05 161.58 14.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.303 -0.873 . . . . 0.61 109.545 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.5 m-85 -138.84 -171.56 3.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.58 109.387 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 328' ' ' PHE . 9.4 p -154.96 152.62 29.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.42 109.616 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.26 129.77 15.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.36 109.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 13.7 tt0 -86.44 134.9 33.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 1.37 109.527 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 28.0 mt -123.71 115.23 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.47 109.413 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 141.74 46.39 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 2.1 109.669 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.85 -1.3 . . . . 0.42 109.85 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.2 OUTLIER -70.78 -50.6 34.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.68 109.355 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.76 -44.52 90.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.257 -0.902 . . . . 2.22 109.611 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH1' ' CG ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -44.95 86.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.174 -0.954 . . . . 2.77 109.928 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.647 ' HD1' HD12 ' A' ' 332' ' ' ILE . 25.7 t80 -55.26 -58.8 6.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.43 109.712 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -50.91 -34.92 30.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.169 -0.957 . . . . 1.66 110.016 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.73 -52.38 57.36 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.189 -0.944 . . . . 0.44 110.517 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -60.91 -54.38 45.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.148 -0.97 . . . . 0.29 109.363 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.27 -36.75 32.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.414 -0.804 . . . . 2.44 109.435 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.218 -0.926 . . . . 1.74 109.641 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' B' ' 344' ' ' LEU . 72.5 mt -62.33 -46.27 89.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -0.845 . . . . 0.3 109.608 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.39 -43.72 88.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 1.22 109.923 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -39.21 93.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.882 . . . . 1.72 109.978 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.88 -53.52 56.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 0.27 110.037 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.29 -39.55 90.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 0.29 109.774 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.0 -37.56 82.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.91 109.823 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.789 HD21 ' NE2' ' B' ' 354' ' ' GLN . 28.1 tp -64.53 -43.4 94.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.41 109.81 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 35.2 ttmt -63.53 -44.91 92.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.878 . . . . 1.56 108.9 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.84 -36.24 72.01 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.646 -0.658 . . . . 1.43 109.619 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.04 72.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.461 -0.775 . . . . 0.66 109.865 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.791 ' NE2' HD21 ' B' ' 350' ' ' LEU . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.18 109.626 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 1.61 109.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -93.22 161.56 14.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 0.57 109.461 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.5 m-85 -138.81 -171.59 3.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.53 109.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.2 p -154.99 152.67 29.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.38 109.669 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.76 15.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.389 -0.819 . . . . 0.36 109.335 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 13.8 tt0 -86.35 134.94 33.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 1.36 109.538 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.664 HD13 ' HB2' ' B' ' 341' ' ' PHE . 27.7 mt -123.73 115.2 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.49 109.449 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 141.7 46.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 2.1 109.588 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.61 133.75 8.0 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.853 -1.299 . . . . 0.44 109.853 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.2 OUTLIER -70.84 -50.66 32.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.347 -1.09 . . . . 2.72 109.32 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.355 -0.841 . . . . 2.21 109.606 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -45.01 85.7 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 2.79 109.925 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.656 ' HD1' HD12 ' B' ' 332' ' ' ILE . 25.9 t80 -55.21 -58.76 6.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.236 -0.915 . . . . 0.45 109.744 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -50.98 -34.97 31.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.68 109.995 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.63 -52.45 57.31 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.084 -1.01 . . . . 0.43 110.496 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.9 m-85 -60.87 -54.46 44.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.108 -0.995 . . . . 0.28 109.331 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -50.15 -36.72 31.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.306 -0.871 . . . . 2.52 109.526 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.31 -43.98 97.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 1.75 109.761 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' A' ' 344' ' ' LEU . 72.4 mt -62.3 -46.2 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.328 -0.858 . . . . 0.31 109.691 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.45 -43.76 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 1.21 109.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -63.54 -39.2 93.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.833 . . . . 1.69 109.943 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.98 -53.41 58.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 0.27 110.068 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.42 -39.45 90.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.3 109.709 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.05 -37.52 82.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 1.93 109.899 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.791 HD21 ' NE2' ' A' ' 354' ' ' GLN . 28.0 tp -64.55 -43.3 94.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.4 109.857 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -63.51 -45.1 92.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.272 -0.892 . . . . 1.59 108.903 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.672 -0.643 . . . . 1.43 109.609 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -32.09 72.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.373 -0.829 . . . . 0.65 109.824 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 350' ' ' LEU . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 1.19 109.646 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.554 -0.535 . . . . 2.11 109.554 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -93.17 161.68 14.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.879 . . . . 0.64 109.497 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.5 m-85 -138.94 -171.61 3.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.49 109.301 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.491 HG23 ' O ' ' C' ' 328' ' ' PHE . 9.2 p -155.03 152.64 29.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.087 -1.008 . . . . 0.47 109.735 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.3 129.7 15.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.42 109.448 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 13.9 tt0 -86.36 134.89 33.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.318 -0.864 . . . . 1.81 109.617 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' C' ' 341' ' ' PHE . 27.8 mt -123.7 115.37 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -0.925 . . . . 0.42 109.352 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.92 141.68 45.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 2.35 109.588 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.64 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.848 -1.301 . . . . 0.41 109.848 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.2 OUTLIER -70.79 -50.64 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.395 -1.062 . . . . 2.59 109.36 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.49 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 2.54 109.651 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' CG ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -44.9 86.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.179 -0.951 . . . . 3.39 109.936 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.664 ' HD1' HD12 ' C' ' 332' ' ' ILE . 25.6 t80 -55.25 -58.74 6.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.47 109.756 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -50.95 -34.95 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.66 110.03 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.72 -52.34 57.59 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.218 -0.926 . . . . 0.61 110.502 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.05 -54.27 46.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.33 109.39 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.24 -36.75 32.46 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.314 -0.867 . . . . 3.28 109.438 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.28 -44.01 97.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 1.78 109.7 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' D' ' 344' ' ' LEU . 72.0 mt -62.35 -46.2 89.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.38 109.584 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.41 -43.85 88.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.315 -0.866 . . . . 1.2 109.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.43 -39.26 94.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.352 -0.842 . . . . 2.12 110.033 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -53.43 58.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -0.886 . . . . 0.26 110.096 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.39 -39.52 90.99 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.333 -0.854 . . . . 0.4 109.782 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.07 -37.47 82.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 2.09 109.883 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' D' ' 354' ' ' GLN . 28.0 tp -64.5 -43.36 94.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 0.75 109.881 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.46 -44.97 92.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.386 -0.821 . . . . 2.19 109.021 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.75 -36.31 71.9 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.616 -0.677 . . . . 1.34 109.696 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.13 72.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.851 . . . . 0.72 109.908 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' D' ' 350' ' ' LEU . 5.3 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.12 -0.988 . . . . 1.8 109.633 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.562 -0.533 . . . . 1.67 109.562 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -93.16 161.67 14.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.61 109.462 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.86 -171.6 3.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.56 109.426 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.1 p -155.0 152.66 29.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.94 . . . . 0.43 109.625 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.79 15.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.35 109.398 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 13.8 tt0 -86.36 135.1 33.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.37 109.497 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 341' ' ' PHE . 27.9 mt -123.9 115.34 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.48 109.325 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.81 141.71 46.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.279 -0.888 . . . . 2.08 109.615 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.58 133.76 8.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -70.67 -50.73 33.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.364 -1.08 . . . . 2.64 109.381 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.51 90.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.22 109.584 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' CG ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.7 -44.89 86.2 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.157 -0.965 . . . . 2.74 109.933 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.666 ' HD1' HD12 ' D' ' 332' ' ' ILE . 26.0 t80 -55.32 -58.75 6.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.43 109.665 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -50.89 -35.06 30.91 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 1.69 109.961 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.61 -52.37 57.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.543 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.9 m-85 -61.01 -54.38 45.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.145 -0.972 . . . . 0.27 109.325 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.3 -36.75 33.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.393 -0.817 . . . . 2.45 109.438 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.23 -44.08 97.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.212 -0.93 . . . . 1.75 109.706 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' C' ' 344' ' ' LEU . 72.7 mt -62.28 -46.13 90.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.31 109.712 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.5 -43.75 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 1.22 109.91 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -39.16 93.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.333 -0.854 . . . . 1.73 110.071 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -53.48 57.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.28 110.087 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.36 -39.65 91.38 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.223 -0.923 . . . . 0.31 109.728 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.85 -37.58 82.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.232 -0.918 . . . . 1.91 109.937 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' C' ' 354' ' ' GLN . 28.0 tp -64.54 -43.31 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.43 109.816 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.41 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.2 ttmt -63.6 -45.06 92.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.294 -0.879 . . . . 1.57 108.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.57 -36.36 71.59 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.371 0.605 . . . . 1.44 109.655 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.09 72.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.64 109.876 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' C' ' 350' ' ' LEU . 5.4 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.127 -0.983 . . . . 1.21 109.653 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.225 0.536 . . . . 1.7 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -94.3 157.9 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.61 109.541 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.96 -171.78 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.182 -0.949 . . . . 0.58 109.435 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.518 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.5 p -153.37 161.02 42.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -0.931 . . . . 0.42 109.512 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.22 131.91 16.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.36 109.489 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.87 132.39 34.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.893 . . . . 1.37 109.583 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' A' ' 338' ' ' PHE . 36.1 mt -123.8 121.76 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.9 . . . . 0.47 109.248 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.16 151.47 41.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.163 -0.961 . . . . 2.1 109.537 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.88 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.76 -1.336 . . . . 0.42 109.76 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.7 ttt180 -81.07 -48.54 12.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -1.14 . . . . 2.68 109.416 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.71 -46.66 84.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.236 -0.915 . . . . 2.22 109.203 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.779 HH12 HD22 ' C' ' 348' ' ' LEU . 7.3 tpp180 -62.45 -42.27 99.35 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.233 -0.917 . . . . 2.77 109.322 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' A' ' 332' ' ' ILE . 57.1 t80 -54.09 -49.44 69.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.367 -0.833 . . . . 0.43 109.508 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.07 -37.07 52.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 1.66 109.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 14.4 ttp -62.5 -46.69 87.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.242 -0.912 . . . . 0.44 109.965 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -61.34 -54.35 44.92 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.223 -0.923 . . . . 0.29 109.232 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.5 -34.96 27.12 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.463 -0.773 . . . . 2.44 109.415 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 340' ' ' MET . 11.3 tt0 -59.89 -49.86 76.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 1.74 109.578 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' B' ' 344' ' ' LEU . 90.9 mt -61.0 -34.6 75.07 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.3 108.813 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.55 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.0 t-20 -58.88 -53.88 53.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.433 -0.792 . . . . 1.22 109.662 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.54 -36.4 80.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 1.72 110.046 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.56 -53.18 61.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.285 -0.885 . . . . 0.27 110.035 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.685 HD22 HH12 ' C' ' 337' ' ' ARG . 46.8 mt -61.08 -41.26 96.33 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.359 -0.838 . . . . 0.29 109.533 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.64 -35.26 77.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.166 -0.959 . . . . 1.91 109.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.48 HD11 HE22 ' B' ' 354' ' ' GLN . 27.3 tp -64.06 -52.61 58.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.41 109.547 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . 27.1 ttmt -60.84 -43.33 98.45 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.484 -0.76 . . . . 1.56 109.421 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.5 -36.24 73.49 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.661 -0.649 . . . . 1.43 110.063 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.48 73.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.66 109.596 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.454 HE22 HD11 ' B' ' 350' ' ' LEU . 16.1 mt-30 . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.924 . . . . 1.18 109.55 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.285 0.564 . . . . 1.61 109.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.22 157.93 15.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.57 109.538 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.98 -171.76 3.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.206 -0.934 . . . . 0.53 109.503 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 4.6 p -153.28 161.25 42.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.38 109.58 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.52 131.69 16.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.908 . . . . 0.36 109.487 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.9 tt0 -85.61 132.45 34.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 1.36 109.63 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.0 mt -123.83 121.67 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.49 109.337 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.14 151.42 41.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 2.1 109.544 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.8 1.9 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.8 ttt180 -80.9 -48.69 12.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.24 -1.153 . . . . 2.72 109.36 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.326 -0.859 . . . . 2.21 109.197 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.701 HH12 HD22 ' D' ' 348' ' ' LEU . 7.3 tpp180 -62.51 -42.13 99.3 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.341 -0.849 . . . . 2.79 109.351 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 332' ' ' ILE . 56.4 t80 -54.21 -49.37 69.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.402 -0.811 . . . . 0.45 109.416 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.03 -37.07 52.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 1.68 109.82 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 14.4 ttp -62.53 -46.72 87.12 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.244 -0.91 . . . . 0.43 109.964 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.567 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.2 m-85 -61.43 -54.32 45.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.233 -0.917 . . . . 0.28 109.226 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.41 -35.02 26.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 2.52 109.489 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' B' ' 340' ' ' MET . 11.2 tt0 -59.84 -49.85 76.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 1.75 109.54 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 344' ' ' LEU . 89.7 mt -61.14 -34.67 75.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.3 -0.875 . . . . 0.31 108.648 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.531 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.1 t-20 -58.74 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 1.21 109.641 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.57 -36.48 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.349 -0.845 . . . . 1.69 109.94 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -53.1 61.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.237 -0.915 . . . . 0.27 109.991 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.835 HD22 HH12 ' D' ' 337' ' ' ARG . 45.6 mt -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.372 -0.83 . . . . 0.3 109.594 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.84 -35.31 77.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.194 -0.941 . . . . 1.93 109.822 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.454 HD11 HE22 ' A' ' 354' ' ' GLN . 27.3 tp -64.07 -52.56 58.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.191 -0.943 . . . . 0.4 109.602 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.83 -43.32 98.42 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.406 -0.809 . . . . 1.59 109.459 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.6 -36.11 73.5 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.662 -0.649 . . . . 1.43 110.02 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.56 74.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.65 109.503 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.48 HE22 HD11 ' A' ' 350' ' ' LEU . 16.1 mt-30 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 1.19 109.475 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.264 0.554 . . . . 2.11 109.579 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -94.29 157.89 15.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.64 109.497 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -139.03 -171.72 3.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.49 109.497 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 4.6 p -153.3 161.33 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.91 . . . . 0.47 109.497 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.62 131.75 16.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.347 -0.846 . . . . 0.42 109.436 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.9 tt0 -85.79 132.52 34.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 1.81 109.547 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.2 mt -123.95 121.69 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.42 109.256 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.17 151.43 41.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.234 -0.916 . . . . 2.35 109.509 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.44 135.79 1.91 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.749 -1.34 . . . . 0.41 109.749 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.8 ttt180 -80.95 -48.65 12.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -1.071 . . . . 2.59 109.36 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.69 -46.63 84.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.298 -0.877 . . . . 2.54 109.296 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.685 HH12 HD22 ' A' ' 348' ' ' LEU . 7.4 tpp180 -62.48 -42.11 99.25 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.249 -0.907 . . . . 3.39 109.387 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' C' ' 332' ' ' ILE . 56.3 t80 -54.22 -49.32 69.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.47 109.433 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.09 -37.12 52.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -0.822 . . . . 1.66 109.78 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 14.6 ttp -62.41 -46.91 86.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.236 -0.915 . . . . 0.61 109.906 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.571 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.2 m-85 -61.3 -54.29 45.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.133 -0.979 . . . . 0.33 109.284 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.47 -35.08 27.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.384 -0.823 . . . . 3.28 109.341 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.431 ' HG3' ' NZ ' ' D' ' 351' ' ' LYS . 11.4 tt0 -59.79 -49.96 75.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.188 -0.945 . . . . 1.78 109.54 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' D' ' 344' ' ' LEU . 90.3 mt -60.96 -34.67 75.11 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.177 -0.952 . . . . 0.38 108.779 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.1 t-20 -58.73 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.332 -0.855 . . . . 1.2 109.662 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -36.53 81.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 2.12 109.961 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.35 -53.33 59.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.188 -0.945 . . . . 0.26 110.079 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.779 HD22 HH12 ' A' ' 337' ' ' ARG . 46.2 mt -61.06 -41.27 96.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 0.4 109.602 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -35.29 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.008 . . . . 2.09 109.877 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.592 HD11 ' NE2' ' D' ' 354' ' ' GLN . 27.2 tp -64.07 -52.65 58.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.75 109.506 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 27.1 ttmt -60.81 -43.43 98.19 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.317 -0.864 . . . . 2.19 109.413 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.56 -36.1 73.39 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.586 -0.696 . . . . 1.34 110.119 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.53 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.163 -0.961 . . . . 0.72 109.544 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.587 ' NE2' HD11 ' D' ' 350' ' ' LEU . 16.1 mt-30 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 1.8 109.464 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.542 -0.54 . . . . 1.67 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -94.04 157.95 15.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 0.61 109.489 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.1 m-85 -138.92 -171.77 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.069 -1.019 . . . . 0.56 109.461 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 4.5 p -153.18 161.27 42.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.159 -0.963 . . . . 0.43 109.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.43 131.7 16.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.35 109.517 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.9 tt0 -85.69 132.37 34.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.37 109.607 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.69 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.8 mt -123.84 121.79 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.48 109.27 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.19 151.45 41.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 2.08 109.601 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.79 1.9 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.793 -1.323 . . . . 0.4 109.793 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.7 ttt180 -80.82 -48.71 12.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -1.112 . . . . 2.64 109.48 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.77 -46.55 84.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.204 -0.935 . . . . 2.22 109.223 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.835 HH12 HD22 ' B' ' 348' ' ' LEU . 7.4 tpp180 -62.44 -42.28 99.34 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.194 -0.941 . . . . 2.74 109.276 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.69 ' CD1' HD12 ' D' ' 332' ' ' ILE . 56.9 t80 -54.11 -49.48 69.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.805 . . . . 0.43 109.422 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -51.97 -37.05 51.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.287 -0.883 . . . . 1.69 109.772 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 14.6 ttp -62.59 -46.73 86.97 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.076 -1.015 . . . . 0.43 109.885 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.41 -54.27 45.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.132 -0.98 . . . . 0.27 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -50.5 -35.02 27.32 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.448 -0.782 . . . . 2.45 109.399 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 11.3 tt0 -59.79 -49.96 75.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 1.75 109.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' C' ' 344' ' ' LEU . 90.8 mt -60.99 -34.66 75.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.306 -0.871 . . . . 0.31 108.764 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.1 t-20 -58.73 -53.93 52.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.37 -0.832 . . . . 1.22 109.674 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.68 -36.39 80.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.83 . . . . 1.73 109.928 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.42 -53.29 59.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.277 -0.889 . . . . 0.28 110.068 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.701 HD22 HH12 ' B' ' 337' ' ' ARG . 47.2 mt -61.1 -41.2 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.31 109.502 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.63 -35.28 77.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.062 -1.024 . . . . 1.91 109.879 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.587 HD11 ' NE2' ' C' ' 354' ' ' GLN . 27.3 tp -64.06 -52.72 58.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.43 109.563 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.431 ' NZ ' ' HG3' ' C' ' 343' ' ' GLU . 27.0 ttmt -60.69 -43.53 97.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.264 -0.897 . . . . 1.57 109.424 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.45 -36.1 73.14 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.669 -0.644 . . . . 1.44 110.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.51 74.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.64 109.529 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' C' ' 350' ' ' LEU . 16.1 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.176 -0.952 . . . . 1.21 109.448 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.464 -0.569 . . . . 1.7 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.74 155.94 16.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.88 . . . . 0.61 109.581 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.15 -170.21 2.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.58 109.49 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 29.0 p -154.2 158.61 40.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.42 109.554 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.76 129.13 13.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.36 109.53 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.14 129.49 34.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.261 -0.899 . . . . 1.37 109.62 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 341' ' ' PHE . 35.1 mt -124.03 121.27 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.07 -1.019 . . . . 0.47 109.396 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.68 150.5 41.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.1 109.668 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.67 134.43 6.31 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.83 -1.308 . . . . 0.42 109.83 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.9 ttm180 -79.4 -54.91 5.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 2.68 109.331 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.0 -41.81 88.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 2.22 109.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.68 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.2 tpp180 -62.45 -44.21 96.97 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.334 -0.853 . . . . 2.77 109.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' C' ' 329' ' ' THR . 78.4 t80 -55.1 -48.69 73.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.43 109.55 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.99 -36.99 51.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.66 109.929 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.1 ttp -62.82 -46.29 88.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.193 -0.942 . . . . 0.44 109.925 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.1 m-85 -61.26 -50.42 73.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.29 109.187 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.21 59.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.431 -0.793 . . . . 2.44 109.631 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.92 -49.04 78.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.081 -1.012 . . . . 1.74 109.637 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' B' ' 344' ' ' LEU . 95.1 mt -61.7 -33.12 73.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.3 108.95 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.22 60.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.323 -0.86 . . . . 1.22 109.501 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.13 78.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.364 -0.835 . . . . 1.72 110.075 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.27 -51.88 67.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.27 109.919 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.703 HD22 HH12 ' C' ' 337' ' ' ARG . 53.9 mt -61.8 -43.14 99.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.304 -0.873 . . . . 0.29 109.585 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.5 -34.52 72.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.91 109.573 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.47 HD21 ' NE2' ' B' ' 354' ' ' GLN . 13.4 tp -64.61 -44.65 89.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.41 109.452 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.99 -46.84 87.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 1.56 109.102 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.54 -33.48 66.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.627 -0.671 . . . . 1.43 109.666 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.84 73.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.66 109.662 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.18 109.699 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.314 0.578 . . . . 1.61 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -93.87 155.91 16.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.57 109.578 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.5 m-85 -139.18 -170.23 2.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.53 109.43 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.462 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 29.2 p -154.21 158.6 40.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.38 109.528 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.7 129.17 13.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.36 109.52 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -87.13 129.63 34.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 1.36 109.651 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' B' ' 341' ' ' PHE . 34.6 mt -124.17 121.22 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.49 109.324 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.59 150.51 41.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.1 109.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.6 134.45 6.28 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.797 -1.321 . . . . 0.44 109.797 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.9 ttm180 -79.36 -54.97 5.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 2.72 109.41 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.88 -42.05 88.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.473 -0.767 . . . . 2.21 109.603 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.534 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.2 tpp180 -62.08 -44.34 96.88 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.244 -0.91 . . . . 2.79 109.286 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' D' ' 329' ' ' THR . 78.2 t80 -55.1 -48.69 73.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.491 -0.756 . . . . 0.45 109.571 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.01 -36.93 51.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 1.68 110.028 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.79 -46.37 88.32 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.191 -0.943 . . . . 0.43 109.92 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.625 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.6 m-85 -61.1 -50.52 72.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.28 109.249 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.14 59.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.383 -0.823 . . . . 2.52 109.644 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.96 -49.12 77.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -0.968 . . . . 1.75 109.61 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' A' ' 344' ' ' LEU . 94.9 mt -61.49 -33.31 73.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.132 -0.98 . . . . 0.31 108.97 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.94 -53.28 59.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 1.21 109.458 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.18 78.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.362 -0.836 . . . . 1.69 109.959 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -51.85 67.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.27 109.992 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.648 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.81 -43.23 99.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 0.3 109.59 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.59 -34.4 72.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.93 109.593 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 350' ' ' LEU . 13.4 tp -64.57 -44.68 89.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.4 109.477 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -62.01 -46.8 87.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.461 -0.774 . . . . 1.59 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.66 -33.48 66.41 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.464 -0.772 . . . . 1.43 109.619 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -46.78 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.65 109.584 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.47 ' NE2' HD21 ' A' ' 350' ' ' LEU . 3.0 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 1.19 109.809 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.544 -0.539 . . . . 2.11 109.544 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.71 155.92 16.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.346 -0.846 . . . . 0.64 109.486 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.8 m-85 -139.03 -170.17 2.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.49 109.485 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 29.6 p -154.26 158.57 40.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.47 109.652 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.68 129.11 13.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.855 . . . . 0.42 109.58 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.18 129.5 34.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.869 . . . . 1.81 109.664 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' C' ' 341' ' ' PHE . 34.5 mt -123.99 121.24 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.42 109.381 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.61 150.51 41.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 2.35 109.707 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.73 134.31 6.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.9 ttm180 -79.29 -55.02 5.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -1.151 . . . . 2.59 109.395 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.0 -41.91 88.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 2.54 109.591 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.703 HH12 HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -62.02 -44.49 96.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.33 -0.856 . . . . 3.39 109.322 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -55.13 -48.66 73.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.808 . . . . 0.47 109.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.94 -37.03 51.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.66 109.98 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.75 -46.34 88.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.221 -0.924 . . . . 0.61 109.961 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.14 -50.52 72.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.253 -0.904 . . . . 0.33 109.26 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.53 -40.22 59.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.395 -0.816 . . . . 3.28 109.581 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.93 -49.09 77.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.78 109.61 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' D' ' 344' ' ' LEU . 94.9 mt -61.59 -33.22 73.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.38 108.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.406 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.99 -53.16 61.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.435 -0.791 . . . . 1.2 109.515 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 0.4 OUTLIER -62.49 -35.23 78.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.413 -0.804 . . . . 2.12 110.003 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.17 -51.71 68.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.26 110.052 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.68 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.3 mt -61.96 -43.1 99.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.4 109.547 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.5 -34.49 72.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.368 -0.833 . . . . 2.09 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' C' ' 350' ' ' LEU . 13.4 tp -64.66 -44.69 89.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.352 -0.843 . . . . 0.75 109.403 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.87 -46.92 87.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -0.858 . . . . 2.19 109.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.59 -33.44 66.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.582 -0.699 . . . . 1.34 109.676 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.88 73.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.378 -0.826 . . . . 0.72 109.612 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.55 ' NE2' HD21 ' D' ' 350' ' ' LEU . 2.9 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.8 109.694 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.336 0.589 . . . . 1.67 109.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -93.76 155.92 16.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.61 109.575 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.8 m-85 -139.13 -169.96 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.56 109.504 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.517 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 28.8 p -154.39 158.59 40.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.153 -0.967 . . . . 0.43 109.482 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -148.72 129.24 13.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.35 109.496 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.7 tt0 -87.23 129.56 34.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.37 109.625 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.624 HD13 ' CD2' ' D' ' 341' ' ' PHE . 34.5 mt -124.04 121.26 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.163 -0.961 . . . . 0.48 109.341 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 150.56 41.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 2.08 109.75 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.69 134.36 6.29 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.836 -1.306 . . . . 0.4 109.836 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.8 ttm180 -79.41 -54.9 5.48 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.332 -1.099 . . . . 2.64 109.376 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -58.92 -41.94 88.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.421 -0.8 . . . . 2.22 109.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.648 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.2 tpp180 -62.25 -44.27 96.93 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.288 -0.883 . . . . 2.74 109.279 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' B' ' 329' ' ' THR . 78.0 t80 -55.11 -48.72 73.23 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.818 . . . . 0.43 109.555 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.85 -37.1 50.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.34 -0.85 . . . . 1.69 109.96 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.74 -46.27 88.85 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.171 -0.956 . . . . 0.43 109.98 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.624 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.3 m-85 -61.24 -50.56 72.55 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.142 -0.974 . . . . 0.27 109.142 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -51.52 -40.28 59.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.446 -0.784 . . . . 2.45 109.55 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.8 -49.11 77.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.75 109.654 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' C' ' 344' ' ' LEU . 94.9 mt -61.6 -33.24 73.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.224 -0.922 . . . . 0.31 109.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.89 -53.21 60.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.382 -0.824 . . . . 1.22 109.551 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -34.95 77.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 1.73 110.03 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -51.81 67.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.28 109.98 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.534 HD22 ' NH1' ' B' ' 337' ' ' ARG . 53.3 mt -61.78 -43.21 99.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.381 -0.824 . . . . 0.31 109.565 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -59.49 -34.46 72.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 1.91 109.587 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.55 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -64.7 -44.6 89.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.43 109.527 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 36.5 ttmt -61.88 -46.93 87.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 1.57 109.114 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.55 -33.52 66.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.464 -0.773 . . . . 1.44 109.679 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.76 73.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.64 109.611 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 1.21 109.74 -179.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.299 0.571 . . . . 1.7 109.694 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.1 m-85 -92.89 159.6 15.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.61 109.261 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -139.11 -171.81 3.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.094 -1.004 . . . . 0.58 109.756 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 10.8 p -153.14 158.74 42.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.42 109.511 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -147.75 132.52 17.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.36 109.387 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.1 tt0 -85.94 133.41 33.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.37 109.423 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.6 mt -123.95 117.72 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.47 109.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.472 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.82 133.52 43.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.1 109.551 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.419 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 101.7 129.92 6.85 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.763 -1.335 . . . . 0.42 109.763 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -77.27 -51.23 11.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 2.68 109.232 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.62 -45.83 88.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.414 -0.804 . . . . 2.22 109.278 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.987 ' NH1' HD13 ' C' ' 348' ' ' LEU . 9.8 tpp180 -62.28 -40.94 97.91 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 108.909 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 332' ' ' ILE . 73.3 t80 -55.68 -47.37 76.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.364 -0.835 . . . . 0.43 109.5 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.51 -40.5 59.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 1.66 109.824 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.03 -44.95 95.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.44 110.264 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.491 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.33 -54.58 41.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.29 109.485 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.09 -37.49 34.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.335 -0.853 . . . . 2.44 109.597 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -45.27 95.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.74 109.827 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' B' ' 344' ' ' LEU . 63.3 mt -61.78 -43.64 98.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.3 109.616 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.454 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.7 t-20 -58.16 -46.2 86.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 1.22 109.804 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.95 -37.51 87.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 1.72 109.967 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.81 -51.73 68.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.27 109.988 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.929 HD13 ' NH1' ' C' ' 337' ' ' ARG . 69.5 mt -61.27 -42.75 99.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.314 -0.866 . . . . 0.29 109.937 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.15 -37.55 80.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.28 -0.888 . . . . 1.91 109.636 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.75 -41.62 95.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.41 109.354 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -45.97 91.16 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.769 0.795 . . . . 1.56 109.145 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.23 -31.06 61.19 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.706 -0.621 . . . . 1.43 109.594 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.21 85.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.855 . . . . 0.66 109.378 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.484 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.18 109.42 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.352 0.596 . . . . 1.61 109.715 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.61 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.57 109.2 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -139.02 -171.75 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.53 109.765 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 10.6 p -153.18 158.72 42.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.38 109.447 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -147.79 132.43 17.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.273 -0.892 . . . . 0.36 109.474 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.1 tt0 -85.86 133.41 33.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.902 . . . . 1.36 109.504 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.664 HD12 ' CD1' ' B' ' 338' ' ' PHE . 35.7 mt -123.96 117.77 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 0.49 109.532 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.475 ' CG ' ' NH1' ' B' ' 333' ' ' ARG . 0.0 OUTLIER -73.87 133.56 43.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 2.1 109.449 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.42 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 101.64 129.86 6.83 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -77.21 -51.14 11.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -1.15 . . . . 2.72 109.304 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.8 -45.73 89.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.4 -0.812 . . . . 2.21 109.239 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.903 ' NH1' HD13 ' D' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.84 97.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.359 -0.838 . . . . 2.79 108.979 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.664 ' CD1' HD12 ' B' ' 332' ' ' ILE . 73.8 t80 -55.56 -47.57 76.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.43 -0.794 . . . . 0.45 109.503 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.4 -40.6 59.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.443 -0.786 . . . . 1.68 109.815 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.97 -45.03 95.44 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.297 -0.877 . . . . 0.43 110.174 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.484 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.9 m-85 -61.36 -54.39 44.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.996 . . . . 0.28 109.528 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.15 -37.43 34.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.372 -0.83 . . . . 2.52 109.633 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -45.28 95.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 1.75 109.745 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' A' ' 344' ' ' LEU . 63.5 mt -61.77 -43.61 98.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.31 109.614 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.8 t-20 -58.31 -46.16 86.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 1.21 109.776 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.47 87.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.331 -0.855 . . . . 1.69 110.022 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.93 -51.59 68.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.27 110.002 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.967 HD13 ' NH1' ' D' ' 337' ' ' ARG . 69.6 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 0.3 109.858 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.43 79.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.895 . . . . 1.93 109.813 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.66 -41.87 95.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.4 109.263 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 350' ' ' LEU . 0.3 OUTLIER -61.98 -46.23 90.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 1.59 109.086 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.12 -30.83 60.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.646 . . . . 1.43 109.723 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.28 85.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.863 . . . . 0.65 109.362 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 1.19 109.489 179.745 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.323 0.582 . . . . 2.11 109.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.02 159.67 15.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.94 . . . . 0.64 109.143 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.1 m-85 -139.11 -171.76 3.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 0.49 109.781 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 10.9 p -153.09 158.75 42.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.202 -0.936 . . . . 0.47 109.557 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -147.82 132.45 17.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 0.42 109.442 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.1 tt0 -85.8 133.36 33.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.867 . . . . 1.81 109.495 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.663 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.0 mt -123.92 117.89 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.42 109.511 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.464 ' NH1' ' CG ' ' C' ' 333' ' ' ARG . 0.0 OUTLIER -73.95 133.56 43.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 2.35 109.505 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.423 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 101.66 129.86 6.83 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.911 -1.275 . . . . 0.41 109.911 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -77.2 -51.2 11.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.107 . . . . 2.59 109.276 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.7 -45.72 88.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 2.54 109.318 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.929 ' NH1' HD13 ' A' ' 348' ' ' LEU . 9.8 tpp180 -62.36 -40.92 97.99 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -0.905 . . . . 3.39 108.92 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' C' ' 332' ' ' ILE . 73.9 t80 -55.56 -47.47 76.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.47 109.534 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.37 -40.66 59.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.835 . . . . 1.66 109.877 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.95 -45.09 95.21 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.261 -0.899 . . . . 0.61 110.195 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.2 m-85 -61.18 -54.58 42.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.152 -0.967 . . . . 0.33 109.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.41 34.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.322 -0.861 . . . . 3.28 109.597 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.32 95.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 1.78 109.841 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' D' ' 344' ' ' LEU . 63.4 mt -61.81 -43.54 98.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.235 -0.915 . . . . 0.38 109.607 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.434 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.7 t-20 -58.28 -46.23 86.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.2 109.736 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.45 86.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 2.12 109.937 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.92 -51.62 68.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.26 110.007 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.987 HD13 ' NH1' ' A' ' 337' ' ' ARG . 69.9 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.262 -0.899 . . . . 0.4 109.826 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.47 79.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 2.09 109.765 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.72 -41.76 95.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 0.75 109.253 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -62.0 -46.13 90.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.423 -0.798 . . . . 2.19 109.171 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.21 -30.83 60.75 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.69 -0.631 . . . . 1.34 109.657 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.37 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -0.91 . . . . 0.72 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.879 . . . . 1.8 109.505 179.806 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.267 0.556 . . . . 1.67 109.643 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.63 15.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -0.828 . . . . 0.61 109.181 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.9 m-85 -139.12 -171.73 3.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.56 109.703 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.0 p -153.16 158.6 42.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.43 109.569 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -147.68 132.54 18.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.302 -0.874 . . . . 0.35 109.41 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.9 133.43 33.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 1.37 109.539 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' D' ' 338' ' ' PHE . 35.7 mt -124.0 117.71 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.923 . . . . 0.48 109.486 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.484 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.79 133.53 43.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.08 109.457 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.427 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 101.58 129.91 6.85 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.889 -1.285 . . . . 0.4 109.889 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -77.24 -51.27 11.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -1.118 . . . . 2.64 109.321 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 2.22 109.25 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.967 ' NH1' HD13 ' B' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.92 97.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.264 -0.898 . . . . 2.74 108.936 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' D' ' 332' ' ' ILE . 73.6 t80 -55.61 -47.42 76.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.509 -0.745 . . . . 0.43 109.554 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.45 -40.52 59.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 1.69 109.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -61.97 -45.1 95.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.189 -0.944 . . . . 0.43 110.2 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.21 -54.58 42.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.118 -0.988 . . . . 0.27 109.468 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.31 34.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 2.45 109.682 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -45.25 95.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.923 . . . . 1.75 109.796 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' C' ' 344' ' ' LEU . 63.6 mt -61.74 -43.74 98.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.966 . . . . 0.31 109.552 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' B' ' 330' ' ' LEU . 55.9 t-20 -58.27 -46.16 86.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.324 -0.86 . . . . 1.22 109.789 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.94 -37.48 87.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.215 -0.928 . . . . 1.73 109.95 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.78 -51.63 68.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.28 110.056 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.903 HD13 ' NH1' ' B' ' 337' ' ' ARG . 69.2 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.31 109.877 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.15 -37.38 79.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 1.91 109.732 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.86 -41.7 95.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.43 109.337 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -46.05 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 1.57 109.144 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.2 -30.91 60.91 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.789 -0.57 . . . . 1.44 109.605 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.13 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.383 -0.823 . . . . 0.64 109.312 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.403 ' NE2' HD11 ' C' ' 350' ' ' LEU . 8.9 mt-30 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 1.21 109.441 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.279 -0.637 . . . . 1.7 109.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.21 158.2 15.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.61 109.651 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.1 m-85 -137.4 -166.86 2.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.254 -0.904 . . . . 0.58 109.324 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.6 p -151.96 159.26 43.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.42 109.418 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.0 tp -146.94 130.34 16.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.36 109.321 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 36.4 tt0 -85.16 131.16 34.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 1.37 109.471 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.483 HD12 ' HD1' ' A' ' 338' ' ' PHE . 29.3 mt -123.8 120.53 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 0.47 109.675 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 21.1 ttt180 -73.83 147.65 43.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.327 -0.858 . . . . 2.1 109.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 134.99 4.81 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.807 -1.317 . . . . 0.42 109.807 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -80.38 -49.78 11.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -1.169 . . . . 2.68 109.49 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.03 -47.72 82.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.22 109.18 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -38.97 83.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.809 . . . . 2.77 109.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.483 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.6 t80 -54.98 -56.39 20.22 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.43 109.542 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.85 -34.73 29.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.66 109.68 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.42 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 9.3 ttp -63.57 -50.51 69.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.312 -0.867 . . . . 0.44 110.047 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.2 m-85 -60.51 -55.2 36.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.16 -0.963 . . . . 0.29 109.185 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.71 -33.61 23.57 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.378 -0.826 . . . . 2.44 109.394 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 340' ' ' MET . 30.2 tt0 -62.34 -46.71 87.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 1.74 109.576 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' B' ' 344' ' ' LEU . 41.7 mt -61.75 -43.26 99.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.362 -0.836 . . . . 0.3 109.443 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -58.14 -48.23 80.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.22 109.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.75 -35.67 80.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.296 -0.878 . . . . 1.72 109.955 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.51 -52.65 64.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.27 109.784 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.43 -38.71 88.13 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.301 -0.874 . . . . 0.29 109.558 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.42 -38.56 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.359 -0.838 . . . . 1.91 109.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.7 tt -64.21 -45.41 88.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.41 109.777 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.491 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -61.07 -39.76 91.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.882 . . . . 1.56 108.983 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.61 -33.96 66.75 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.511 -0.743 . . . . 1.43 109.648 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.38 87.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.66 109.419 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.463 ' NE2' HD11 ' B' ' 350' ' ' LEU . 21.8 mt-30 . . . . . 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 1.18 109.545 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.269 -0.641 . . . . 1.61 109.269 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 39.8 m-85 -93.3 158.27 15.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.57 109.637 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.2 m-85 -137.41 -167.02 2.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.344 -0.848 . . . . 0.53 109.374 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -151.88 159.2 43.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.38 109.447 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.1 tp -146.9 130.3 16.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.36 109.254 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.11 131.16 34.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 1.36 109.433 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 ' HD1' ' B' ' 338' ' ' PHE . 29.0 mt -123.82 120.44 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.49 109.66 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -73.71 147.72 43.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.495 -0.753 . . . . 2.1 109.683 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.486 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.07 135.01 4.8 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.814 -1.314 . . . . 0.44 109.814 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.605 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -80.33 -49.83 10.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -1.141 . . . . 2.72 109.498 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.06 -47.69 82.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.883 . . . . 2.21 109.169 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -39.02 83.46 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.454 -0.779 . . . . 2.79 109.353 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.479 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.6 t80 -55.07 -56.27 21.74 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.383 -0.823 . . . . 0.45 109.498 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -50.82 -34.81 29.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 1.68 109.696 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 9.3 ttp -63.56 -50.44 69.47 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.183 -0.948 . . . . 0.43 110.112 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.0 m-85 -60.64 -55.09 37.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.159 -0.963 . . . . 0.28 109.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.81 -33.52 23.88 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.382 -0.824 . . . . 2.52 109.383 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' B' ' 340' ' ' MET . 30.2 tt0 -62.31 -46.77 87.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.026 -1.046 . . . . 1.75 109.615 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' A' ' 344' ' ' LEU . 42.3 mt -61.64 -43.38 98.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 0.31 109.502 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -58.05 -48.22 80.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.21 109.979 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.82 -35.46 79.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -0.861 . . . . 1.69 109.918 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.63 -52.7 64.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.27 109.791 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.35 -38.8 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.3 109.507 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.28 -38.72 84.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 1.93 109.851 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.708 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.7 tt -64.23 -45.41 88.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.4 109.785 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.97 -39.71 90.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.59 109.015 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.64 -34.08 66.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.614 -0.679 . . . . 1.43 109.642 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.27 87.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.65 109.424 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.609 ' NE2' HD11 ' A' ' 350' ' ' LEU . 21.8 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 1.19 109.447 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.34 -0.615 . . . . 2.11 109.34 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 39.7 m-85 -93.22 158.28 15.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 0.64 109.593 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.2 m-85 -137.32 -166.9 2.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.49 109.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.8 p -151.88 159.43 43.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.47 109.485 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.9 tp -147.08 130.28 16.5 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.26 -0.9 . . . . 0.42 109.297 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 36.4 tt0 -85.2 131.14 34.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 1.81 109.407 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.478 HD12 ' HD1' ' C' ' 338' ' ' PHE . 29.0 mt -123.84 120.52 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.42 109.66 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 21.2 ttt180 -73.79 147.8 43.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 2.35 109.547 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.1 134.94 4.79 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -80.36 -49.81 10.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.38 -1.071 . . . . 2.59 109.491 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.08 -47.59 82.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 2.54 109.227 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -39.02 83.64 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.36 -0.838 . . . . 3.39 109.312 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.478 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.96 -56.32 20.99 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.421 -0.8 . . . . 0.47 109.538 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.86 -34.83 29.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.66 109.71 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 9.3 ttp -63.45 -50.58 69.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.61 110.066 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.478 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.0 m-85 -60.46 -55.16 36.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.33 109.178 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.83 -33.51 23.97 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.28 109.435 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' C' ' 340' ' ' MET . 30.1 tt0 -62.34 -46.73 87.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.16 -0.962 . . . . 1.78 109.53 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' D' ' 344' ' ' LEU . 41.5 mt -61.76 -43.31 99.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.38 109.423 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -58.06 -48.29 80.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.857 . . . . 1.2 109.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.71 -35.55 80.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 2.12 109.95 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.55 -52.79 64.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.26 109.727 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.32 -38.77 88.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 0.4 109.561 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.32 -38.65 84.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.277 -0.889 . . . . 2.09 109.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.717 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -64.23 -45.4 88.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.75 109.763 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.93 -39.78 90.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 2.19 108.928 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.71 -34.05 67.08 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.501 -0.749 . . . . 1.34 109.587 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.36 87.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 0.72 109.465 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.593 ' NE2' HD11 ' D' ' 350' ' ' LEU . 21.9 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 1.8 109.529 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.198 -0.667 . . . . 1.67 109.198 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.28 158.28 15.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.61 109.619 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 92.3 m-85 -137.41 -167.01 2.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.292 -0.88 . . . . 0.56 109.416 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.8 p -151.82 159.33 43.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.43 109.432 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.1 tp -147.05 130.3 16.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.382 -0.823 . . . . 0.35 109.221 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.08 131.17 34.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 1.37 109.423 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -123.94 120.48 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.48 109.593 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 21.3 ttt180 -73.79 147.69 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 2.08 109.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.16 135.07 4.87 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.747 -1.341 . . . . 0.4 109.747 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -80.42 -49.81 10.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.272 -1.134 . . . . 2.64 109.476 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.13 -47.63 82.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.911 . . . . 2.22 109.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -39.11 83.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 2.74 109.243 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.6 t80 -54.89 -56.37 20.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.464 -0.772 . . . . 0.43 109.559 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -50.84 -34.83 29.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.426 -0.796 . . . . 1.69 109.701 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 9.3 ttp -63.44 -50.63 68.99 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.269 -0.894 . . . . 0.43 110.045 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -60.47 -55.14 37.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.27 109.221 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.77 -33.57 23.82 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.319 -0.863 . . . . 2.45 109.4 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' D' ' 340' ' ' MET . 30.1 tt0 -62.38 -46.71 87.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 1.75 109.593 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' C' ' 344' ' ' LEU . 42.4 mt -61.62 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.294 -0.879 . . . . 0.31 109.521 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -58.09 -48.32 80.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 1.22 109.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.79 -35.47 79.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -0.864 . . . . 1.73 109.912 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.48 -52.81 63.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.28 109.799 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.38 -38.64 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.31 109.582 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.34 -38.77 84.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.3 -0.875 . . . . 1.91 109.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.7 tt -64.16 -45.4 88.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.43 109.765 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.557 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -60.9 -39.78 90.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.867 . . . . 1.57 109.037 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.8 -33.87 67.11 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.641 -0.662 . . . . 1.44 109.616 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.35 87.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.206 -0.934 . . . . 0.64 109.356 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 1.21 109.495 179.737 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.588 -0.523 . . . . 1.7 109.588 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 6.1 m-85 -95.77 155.38 16.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.61 109.117 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.1 m-85 -139.38 -169.35 2.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.127 -0.983 . . . . 0.58 109.859 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.9 p -153.18 161.04 42.88 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.42 109.3 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.4 tp -149.37 132.29 16.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.21 -0.931 . . . . 0.36 109.632 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 27.6 tt0 -85.66 129.05 34.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 1.37 109.244 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 341' ' ' PHE . 48.8 mt -123.88 116.74 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.47 109.787 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 44.1 ttt180 -74.07 152.48 39.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.913 . . . . 2.1 109.422 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.72 137.96 6.78 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.762 -1.335 . . . . 0.42 109.762 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.6 ttt-85 -82.66 -54.25 5.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -1.132 . . . . 2.68 109.463 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.18 -46.37 85.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 2.22 109.391 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -43.47 98.82 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.275 -0.891 . . . . 2.77 109.528 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 29.2 t80 -54.77 -57.33 11.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.316 -0.865 . . . . 0.43 109.704 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.56 -34.06 35.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.66 109.735 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.82 -49.68 73.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.44 109.896 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 332' ' ' ILE . 28.6 m-85 -60.97 -49.95 75.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.29 109.152 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.59 -40.11 59.19 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.423 -0.798 . . . . 2.44 109.747 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 1.74 109.975 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.8 -43.47 98.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.172 -0.955 . . . . 0.3 109.469 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.11 -49.36 77.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 1.22 109.688 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -32.22 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 1.72 109.833 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.39 -50.76 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.27 110.086 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.421 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 38.1 mt -61.28 -44.01 97.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.29 109.74 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.8 -36.63 74.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.91 . . . . 1.91 109.65 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.618 HD21 HE21 ' B' ' 354' ' ' GLN . 18.3 tp -64.65 -42.29 95.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.844 . . . . 0.41 109.525 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.0 ttmm -62.43 -43.09 99.65 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.333 -0.854 . . . . 1.56 109.272 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -55.99 -36.04 67.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.478 -0.764 . . . . 1.43 109.812 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.49 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 0.66 109.838 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.536 HE21 HD21 ' B' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 1.18 109.801 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.6 -0.518 . . . . 1.61 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -95.86 155.26 16.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.191 -0.943 . . . . 0.57 109.216 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 72.6 m-85 -139.29 -169.31 2.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 0.53 109.851 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.8 p -153.28 160.86 42.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 0.38 109.289 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -149.17 132.44 16.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.906 . . . . 0.36 109.669 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -85.77 129.01 34.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 1.36 109.279 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 48.8 mt -123.85 116.82 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.163 -0.96 . . . . 0.49 109.788 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -74.07 152.46 39.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 2.1 109.407 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.66 137.96 6.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.758 -1.337 . . . . 0.44 109.758 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.5 ttt-85 -82.69 -54.27 5.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.25 -1.147 . . . . 2.72 109.452 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.21 -46.28 86.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 2.21 109.348 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.482 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -61.27 -43.49 98.78 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.331 -0.856 . . . . 2.79 109.576 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 29.2 t80 -54.85 -57.41 11.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.352 -0.843 . . . . 0.45 109.596 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.0 34.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.68 109.701 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.87 -49.64 74.06 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 28.6 m-85 -60.91 -50.0 75.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.202 -0.936 . . . . 0.28 109.208 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.62 -40.07 59.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 2.52 109.681 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -43.47 98.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.25 -0.906 . . . . 1.75 109.923 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.85 -43.38 98.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.31 109.446 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.381 -0.824 . . . . 1.21 109.645 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -32.2 72.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 1.69 109.823 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.49 -50.64 72.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.143 -0.973 . . . . 0.27 110.089 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.28 -44.05 97.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.3 109.675 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.84 -36.52 74.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 1.93 109.53 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.536 HD21 HE21 ' A' ' 354' ' ' GLN . 18.3 tp -64.75 -42.31 95.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.4 109.56 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.0 ttmm -62.38 -43.0 99.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 1.59 109.31 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.11 -35.95 67.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.444 -0.785 . . . . 1.43 109.821 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.61 77.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.28 -0.888 . . . . 0.65 109.809 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.618 HE21 HD21 ' A' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.936 . . . . 1.19 109.788 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.614 -0.513 . . . . 2.11 109.614 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 6.0 m-85 -95.78 155.36 16.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 0.64 109.235 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 72.1 m-85 -139.39 -169.28 2.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.094 -1.004 . . . . 0.49 109.879 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.8 p -153.21 160.98 42.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.38 -0.825 . . . . 0.47 109.331 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.4 tp -149.26 132.41 16.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.42 109.593 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 27.5 tt0 -85.8 129.0 34.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.329 -0.857 . . . . 1.81 109.26 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 48.8 mt -123.81 116.72 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 0.42 109.708 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 44.4 ttt180 -74.02 152.52 39.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 2.35 109.449 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.59 138.0 6.72 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.5 ttt-85 -82.73 -54.21 5.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -1.11 . . . . 2.59 109.443 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.29 -46.2 86.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 2.54 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -61.35 -43.53 98.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.334 -0.853 . . . . 3.39 109.489 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 329' ' ' THR . 29.4 t80 -54.67 -57.51 11.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.369 -0.832 . . . . 0.47 109.67 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.45 -34.03 33.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 1.66 109.722 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.96 -49.57 74.23 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.278 -0.889 . . . . 0.61 109.962 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 28.8 m-85 -60.91 -50.02 75.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.169 -0.957 . . . . 0.33 109.202 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.63 -40.07 59.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 3.28 109.661 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -43.47 98.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.174 -0.954 . . . . 1.78 110.027 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.84 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.166 -0.959 . . . . 0.38 109.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.17 -49.38 77.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 1.2 109.615 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -32.13 72.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 2.12 109.86 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -50.6 72.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.26 110.107 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.32 -44.04 97.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.4 109.676 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.74 -36.75 74.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 2.09 109.495 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.428 HD21 HE21 ' D' ' 354' ' ' GLN . 18.4 tp -64.69 -42.31 95.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.75 109.474 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -62.38 -43.05 99.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.483 -0.761 . . . . 2.19 109.234 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -56.01 -36.03 67.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.555 -0.716 . . . . 1.34 109.848 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.4 76.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.72 109.904 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.729 HE21 HD21 ' D' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 1.8 109.807 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.638 -0.505 . . . . 1.67 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.8 155.28 16.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.61 109.24 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.5 m-85 -139.34 -169.39 2.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.56 109.846 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.9 p -153.1 161.12 42.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.43 109.333 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 329' ' ' THR . 15.4 tp -149.33 132.38 16.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.223 -0.923 . . . . 0.35 109.636 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -85.73 129.03 34.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.37 109.241 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.0 mt -123.9 116.8 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.169 -0.957 . . . . 0.48 109.68 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -74.03 152.48 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.08 109.506 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 138.02 6.78 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.756 -1.338 . . . . 0.4 109.756 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.613 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.5 ttt-85 -82.71 -54.25 5.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -1.123 . . . . 2.64 109.504 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.2 -46.45 85.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.841 . . . . 2.22 109.347 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -43.52 98.74 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.291 -0.881 . . . . 2.74 109.482 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 29.3 t80 -54.71 -57.44 11.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 0.43 109.618 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.08 34.81 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 1.69 109.732 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.74 -49.79 73.62 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.349 -0.844 . . . . 0.43 109.927 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' D' ' 332' ' ' ILE . 28.9 m-85 -60.73 -50.06 74.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 0.27 109.273 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -51.7 -40.01 59.34 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.375 -0.828 . . . . 2.45 109.707 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -43.46 98.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 1.75 109.944 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.79 -43.5 98.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.31 109.353 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.27 -49.28 77.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.264 -0.897 . . . . 1.22 109.567 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -32.1 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.73 109.824 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.42 -50.7 72.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.28 110.083 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.482 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 38.0 mt -61.27 -44.11 97.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.31 109.649 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.83 -36.55 74.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.91 109.601 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.729 HD21 HE21 ' C' ' 354' ' ' GLN . 18.3 tp -64.66 -42.4 95.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 0.43 109.557 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.41 -43.04 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.283 -0.886 . . . . 1.57 109.231 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.04 -36.02 67.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.527 -0.733 . . . . 1.44 109.802 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.47 77.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -0.848 . . . . 0.64 109.874 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.428 HE21 HD21 ' C' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.21 109.837 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.244 0.545 . . . . 1.7 109.708 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 19.3 m-85 -94.3 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.61 109.205 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -139.54 -162.74 1.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.58 109.496 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 1.2 p -153.93 161.7 41.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.115 -0.991 . . . . 0.42 109.647 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' C' ' 345' ' ' ASN . 19.0 tp -149.3 134.24 18.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.231 -0.918 . . . . 0.36 109.329 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -86.64 134.48 33.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 1.37 109.903 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 341' ' ' PHE . 36.0 mt -123.73 118.97 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.173 -0.954 . . . . 0.47 109.192 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 143.85 45.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.191 -0.943 . . . . 2.1 110.194 -179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 142.21 7.98 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.085 -1.206 . . . . 0.42 110.085 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.8 ttt180 -82.23 -51.28 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -1.052 . . . . 2.68 109.322 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.78 -44.65 90.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.323 -0.861 . . . . 2.22 109.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.735 HH12 HD22 ' C' ' 348' ' ' LEU . 7.0 tpp180 -62.73 -41.03 98.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.336 -0.853 . . . . 2.77 109.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.7 t80 -56.23 -48.68 76.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -0.773 . . . . 0.43 109.453 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.17 -37.33 54.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.26 -0.9 . . . . 1.66 109.907 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.18 -49.34 76.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.166 -0.959 . . . . 0.44 110.201 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.647 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.9 m-85 -60.88 -53.52 56.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.29 109.36 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -50.14 -37.03 32.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 2.44 109.612 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.86 -48.95 79.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.17 -0.956 . . . . 1.74 109.506 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 81.6 mt -61.17 -34.59 75.28 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.183 -0.948 . . . . 0.3 108.838 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.7 t-20 -58.94 -55.18 38.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.583 -0.698 . . . . 1.22 109.486 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.37 -28.99 70.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 1.72 109.851 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -62.17 -54.5 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.27 109.934 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' C' ' 337' ' ' ARG . 62.8 mt -60.82 -45.0 96.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.29 109.693 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.53 -33.42 71.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -0.931 . . . . 1.91 109.397 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.662 HD21 HE21 ' B' ' 354' ' ' GLN . 6.5 tp -65.44 -42.11 92.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.36 -0.837 . . . . 0.41 109.29 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.568 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.491 -0.755 . . . . 1.56 109.235 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -32.84 67.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.669 -0.644 . . . . 1.43 109.838 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.61 86.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.66 109.938 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.637 HE21 HD21 ' B' ' 350' ' ' LEU . 20.4 mt-30 . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 1.18 109.838 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.328 0.585 . . . . 1.61 109.726 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.436 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 19.1 m-85 -94.25 158.83 15.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.57 109.273 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.5 m-85 -139.58 -162.8 1.38 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.53 109.562 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.427 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.2 p -153.82 161.87 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.951 . . . . 0.38 109.622 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' D' ' 345' ' ' ASN . 19.2 tp -149.47 134.24 17.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 0.36 109.337 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.53 134.59 33.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 1.36 109.938 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.0 mt -123.86 118.74 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.49 109.226 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.494 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.56 143.85 46.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 2.1 110.285 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.24 142.19 8.06 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.017 -1.233 . . . . 0.44 110.017 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.2 8.16 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -1.13 . . . . 2.72 109.419 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.89 -44.73 91.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.297 -0.877 . . . . 2.21 109.46 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.806 HH12 HD22 ' D' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -41.25 98.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.275 -0.891 . . . . 2.79 109.184 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.551 ' HA ' HG21 ' B' ' 332' ' ' ILE . 43.6 t80 -56.21 -48.69 75.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.534 -0.729 . . . . 0.45 109.502 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.03 -37.32 53.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 1.68 109.997 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.23 -49.39 75.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.253 -0.904 . . . . 0.43 110.158 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.73 -53.5 56.59 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.242 -0.911 . . . . 0.28 109.456 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -50.19 -36.99 32.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 2.52 109.557 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.83 -49.04 79.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.75 109.469 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' A' ' 344' ' ' LEU . 81.2 mt -61.27 -34.49 75.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.31 108.846 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.8 t-20 -58.95 -55.21 38.12 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.48 -0.762 . . . . 1.21 109.496 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.36 -28.9 70.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.69 109.851 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.3 -54.52 39.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.27 109.978 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.79 HD22 HH12 ' D' ' 337' ' ' ARG . 62.6 mt -60.81 -44.94 96.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.3 109.715 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.64 -33.22 71.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 1.93 109.37 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.637 HD21 HE21 ' A' ' 354' ' ' GLN . 6.5 tp -65.43 -42.29 92.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.4 109.242 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.575 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.96 -50.97 68.7 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.682 0.754 . . . . 1.59 109.271 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -32.89 67.31 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.633 -0.667 . . . . 1.43 109.858 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.63 86.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.313 -0.867 . . . . 0.65 109.947 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.662 HE21 HD21 ' A' ' 350' ' ' LEU . 20.5 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 1.19 109.895 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.364 0.602 . . . . 2.11 109.746 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 19.9 m-85 -94.31 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.214 -0.929 . . . . 0.64 109.157 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.5 m-85 -139.55 -162.85 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.49 109.538 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 1.2 p -153.84 161.71 41.83 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.213 -0.93 . . . . 0.47 109.67 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 345' ' ' ASN . 18.8 tp -149.23 134.27 18.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.42 109.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -86.58 134.58 33.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.81 109.959 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.4 mt -123.79 119.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.843 . . . . 0.42 109.14 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.79 143.87 45.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.905 . . . . 2.35 110.236 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.23 142.17 8.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.001 -1.24 . . . . 0.41 110.001 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.21 8.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -1.047 . . . . 2.59 109.358 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.86 -44.61 91.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.366 -0.833 . . . . 2.54 109.551 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' A' ' 348' ' ' LEU . 7.0 tpp180 -62.59 -41.23 98.83 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 3.39 109.097 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.7 t80 -56.21 -48.68 75.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.47 109.473 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.19 -37.2 54.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.397 -0.814 . . . . 1.66 109.935 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.23 -49.3 76.28 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.27 -0.894 . . . . 0.61 110.229 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.7 m-85 -60.96 -53.55 55.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.256 -0.902 . . . . 0.33 109.346 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.01 -37.11 31.35 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.451 -0.78 . . . . 3.28 109.606 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 1.78 109.56 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' D' ' 344' ' ' LEU . 81.1 mt -61.21 -34.62 75.39 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.272 -0.893 . . . . 0.38 108.779 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.667 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.7 t-20 -58.81 -55.27 37.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.4 -0.813 . . . . 1.2 109.615 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.3 -29.01 70.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 2.12 109.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.23 -54.38 41.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.26 110.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.735 HD22 HH12 ' A' ' 337' ' ' ARG . 62.1 mt -60.84 -44.98 96.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.4 109.719 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.55 -33.37 71.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 2.09 109.465 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.63 HD11 ' NE2' ' D' ' 354' ' ' GLN . 6.5 tp -65.37 -42.18 93.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.361 -0.837 . . . . 0.75 109.274 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -63.19 -50.86 68.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.511 -0.743 . . . . 2.19 109.234 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -32.74 67.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.676 -0.64 . . . . 1.34 109.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.6 85.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.297 -0.877 . . . . 0.72 109.892 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.489 HE21 HD21 ' D' ' 350' ' ' LEU . 20.6 mt-30 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.8 109.921 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.281 0.562 . . . . 1.67 109.749 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 19.4 m-85 -94.26 159.04 15.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.61 109.214 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.5 m-85 -139.8 -162.85 1.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.201 -0.937 . . . . 0.56 109.449 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 1.2 p -153.85 161.86 41.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.15 -0.969 . . . . 0.43 109.64 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' B' ' 345' ' ' ASN . 19.0 tp -149.38 134.21 17.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.416 -0.803 . . . . 0.35 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.6 134.69 33.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 1.37 109.926 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' D' ' 341' ' ' PHE . 36.6 mt -123.93 119.05 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.48 109.068 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -73.89 143.81 45.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 2.08 110.161 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.22 142.21 8.06 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.976 -1.25 . . . . 0.4 109.976 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.8 ttt180 -82.24 -51.15 8.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.357 -1.084 . . . . 2.64 109.408 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.88 -44.62 91.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.83 . . . . 2.22 109.435 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.79 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.61 -41.2 98.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.3 -0.875 . . . . 2.74 109.186 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -56.23 -48.71 75.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.351 -0.843 . . . . 0.43 109.452 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.06 -37.33 53.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.394 -0.816 . . . . 1.69 109.948 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.27 -49.45 75.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.935 . . . . 0.43 110.105 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.0 m-85 -60.75 -53.56 55.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.27 109.443 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.05 -37.1 31.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.358 -0.839 . . . . 2.45 109.608 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.77 -49.0 79.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.131 -0.981 . . . . 1.75 109.602 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' C' ' 344' ' ' LEU . 80.8 mt -61.26 -34.45 75.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.31 108.779 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.67 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.8 t-20 -58.81 -55.34 36.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.843 . . . . 1.22 109.574 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.23 -29.05 70.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.73 109.834 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -62.4 -54.38 41.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.28 109.948 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.806 HD22 HH12 ' B' ' 337' ' ' ARG . 62.1 mt -60.8 -44.86 96.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.31 109.83 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.57 -33.45 71.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.108 -0.995 . . . . 1.91 109.359 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.516 HD22 ' HD3' ' C' ' 351' ' ' LYS . 6.5 tp -65.39 -42.19 92.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.43 109.228 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -51.04 68.24 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.546 -0.721 . . . . 1.57 109.263 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -32.86 67.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.688 -0.632 . . . . 1.44 109.874 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.67 86.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.64 109.898 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.63 ' NE2' HD11 ' C' ' 350' ' ' LEU . 20.5 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.21 109.865 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.499 -0.556 . . . . 1.7 109.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -94.76 157.95 15.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.61 109.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 65.3 m-85 -139.84 -169.18 2.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.241 -0.912 . . . . 0.58 109.43 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.5 p -153.44 159.78 42.43 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.178 -0.951 . . . . 0.42 109.658 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 14.9 tp -148.44 132.12 16.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.36 109.347 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.26 128.25 34.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 1.37 109.469 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.1 mt -123.91 115.42 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.47 109.203 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.8 OUTLIER -73.0 153.18 41.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 2.1 109.665 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 87.28 128.47 2.62 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.698 -1.361 . . . . 0.42 109.698 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.84 14.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.348 -1.089 . . . . 2.68 109.549 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.44 -48.32 81.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.281 -0.887 . . . . 2.22 109.368 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.27 96.34 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.356 -0.84 . . . . 2.77 109.624 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.3 t80 -54.46 -56.33 19.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 0.43 109.506 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.33 -34.57 34.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.66 109.79 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.2 -50.47 70.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.308 -0.87 . . . . 0.44 109.99 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -60.63 -49.43 77.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.29 109.221 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -50.94 -39.66 55.39 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 2.44 109.462 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.57 -42.1 98.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.353 -0.842 . . . . 1.74 109.753 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 344' ' ' LEU . 48.6 mt -62.11 -46.23 89.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 0.3 109.593 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 48.3 t30 -57.58 -46.12 84.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.22 109.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.39 -33.03 73.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 1.72 109.517 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.45 -52.92 63.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.27 109.624 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.474 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.3 mt -61.42 -40.94 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.29 109.358 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 19.5 mt-10 -59.12 -35.26 73.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.91 109.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' B' ' 351' ' ' LYS . 13.2 tp -64.24 -41.06 97.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.483 -0.76 . . . . 0.41 109.112 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.453 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -62.0 -52.11 65.3 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.48 -0.763 . . . . 1.56 109.004 179.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -29.4 60.95 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.584 -0.697 . . . . 1.43 109.631 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.5 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.284 -0.885 . . . . 0.66 109.476 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.446 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 O-C-N 121.28 -0.888 . . . . 1.18 109.326 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.384 -0.598 . . . . 1.61 109.384 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.9 157.83 15.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.188 -0.945 . . . . 0.57 109.56 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 65.3 m-85 -139.67 -169.11 2.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.313 -0.867 . . . . 0.53 109.42 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 64.9 p -153.49 159.97 42.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.25 -0.906 . . . . 0.38 109.588 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.9 tp -148.7 131.89 16.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.298 -0.876 . . . . 0.36 109.359 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.0 tt0 -86.02 128.19 34.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.838 . . . . 1.36 109.48 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' B' ' 341' ' ' PHE . 51.8 mt -123.84 115.49 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.932 . . . . 0.49 109.211 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.8 OUTLIER -73.02 153.15 41.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.218 -0.926 . . . . 2.1 109.646 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 87.19 128.2 2.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.712 -1.355 . . . . 0.44 109.712 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 20.6 ttt180 -75.01 -50.99 14.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.164 -1.198 . . . . 2.72 109.486 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.41 -48.33 81.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.145 -0.972 . . . . 2.21 109.354 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.29 96.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.257 -0.902 . . . . 2.79 109.568 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.2 t80 -54.55 -56.26 20.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.38 -0.825 . . . . 0.45 109.554 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -51.27 -34.57 33.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 1.68 109.927 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.08 -50.6 69.91 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.222 -0.924 . . . . 0.43 110.023 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.499 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 9.3 m-85 -60.68 -49.35 77.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.28 109.21 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.02 -39.63 56.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.422 -0.799 . . . . 2.52 109.402 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.51 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 1.75 109.79 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' B' ' 344' ' ' LEU . 48.1 mt -62.26 -46.18 89.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.31 109.498 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' B' ' 349' ' ' GLU . 48.2 t30 -57.55 -46.14 84.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 1.21 109.454 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.271 -0.893 . . . . 1.69 109.507 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.37 -52.94 63.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.27 109.727 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.511 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 20.3 mt -61.35 -41.01 96.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.3 109.383 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 19.5 mt-10 -59.11 -35.18 72.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.975 . . . . 1.93 109.265 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.453 HD22 ' HD3' ' A' ' 351' ' ' LYS . 13.2 tp -64.35 -40.99 96.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.4 109.095 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -62.04 -51.84 66.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.751 0.786 . . . . 1.59 108.976 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -29.48 61.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.575 -0.703 . . . . 1.43 109.547 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.64 95.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.65 109.556 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 1.19 109.353 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.52 -0.548 . . . . 2.11 109.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -94.79 157.8 15.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.64 109.546 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.8 m-85 -139.77 -169.1 2.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.49 109.391 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.1 p -153.47 160.1 42.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.47 109.563 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.8 tp -148.79 132.08 16.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 0.42 109.256 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -86.2 128.21 34.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 1.81 109.44 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 51.6 mt -123.83 115.44 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.42 109.339 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.478 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.8 OUTLIER -72.96 153.31 41.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 2.35 109.594 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.452 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 87.08 128.48 2.55 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.624 -1.391 . . . . 0.41 109.624 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 20.7 ttt180 -75.33 -50.91 14.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.166 -1.196 . . . . 2.59 109.478 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.28 -48.58 80.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.937 . . . . 2.54 109.382 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.93 -41.33 95.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.309 -0.869 . . . . 3.39 109.597 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.3 t80 -54.4 -56.29 20.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.365 -0.834 . . . . 0.47 109.58 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.43 -34.5 35.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.66 109.892 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.06 -50.56 70.14 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.104 -0.997 . . . . 0.61 110.039 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 9.3 m-85 -60.72 -49.34 77.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.925 . . . . 0.33 109.212 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 12.5 ttm180 -51.09 -39.59 56.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.817 . . . . 3.28 109.401 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.47 -42.24 98.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.211 -0.93 . . . . 1.78 109.667 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' C' ' 344' ' ' LEU . 49.0 mt -62.17 -46.21 89.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.268 -0.895 . . . . 0.38 109.535 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.63 -46.12 84.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 1.2 109.418 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.33 -33.03 73.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.306 -0.871 . . . . 2.12 109.613 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.51 -52.84 63.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.367 -0.833 . . . . 0.26 109.694 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.491 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.2 mt -61.3 -41.09 96.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.4 109.371 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.07 -35.26 73.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 2.09 109.141 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' C' ' 350' ' ' LEU . 13.2 tp -64.25 -41.06 97.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.75 109.032 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -52.01 65.66 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.92 -0.771 . . . . 2.19 108.92 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -29.49 61.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.674 -0.641 . . . . 1.34 109.628 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.36 94.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.72 109.555 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.568 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 1.8 109.286 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.533 -0.543 . . . . 1.67 109.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.9 157.75 15.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.226 -0.921 . . . . 0.61 109.566 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.8 m-85 -139.61 -169.09 2.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.362 -0.836 . . . . 0.56 109.408 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 63.8 p -153.49 159.86 42.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.43 109.61 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.9 tp -148.56 132.11 16.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 0.35 109.342 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.28 128.11 34.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 1.37 109.523 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' D' ' 341' ' ' PHE . 51.0 mt -123.69 115.41 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.48 109.336 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.8 OUTLIER -73.13 153.24 40.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.874 . . . . 2.08 109.55 -179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 87.31 128.45 2.63 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.85 14.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -1.118 . . . . 2.64 109.533 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -48.19 81.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 2.22 109.4 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.365 -0.834 . . . . 2.74 109.513 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -54.45 -56.26 20.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.43 109.522 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.48 -34.52 36.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 1.69 109.799 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.02 -50.52 70.38 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -0.988 . . . . 0.43 110.068 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.511 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 9.3 m-85 -60.75 -49.26 78.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.957 . . . . 0.27 109.187 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.13 -39.67 56.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.402 -0.811 . . . . 2.45 109.355 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.43 -42.18 98.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 1.75 109.801 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 344' ' ' LEU . 48.2 mt -62.22 -46.21 89.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 0.31 109.507 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.52 -46.23 84.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.36 -0.838 . . . . 1.22 109.414 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.29 -33.14 74.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.408 -0.808 . . . . 1.73 109.597 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.43 -52.83 63.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.837 . . . . 0.28 109.663 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.47 -40.92 96.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.31 109.35 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 1.91 109.203 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.568 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.2 tp -64.26 -40.99 97.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.298 -0.876 . . . . 0.43 109.08 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HD3' HD22 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -62.15 -51.93 65.87 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.93 -0.767 . . . . 1.57 108.93 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.38 61.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.621 -0.675 . . . . 1.44 109.645 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.5 95.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 0.64 109.558 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.431 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.21 109.356 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.296 0.569 . . . . 1.7 109.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -94.95 155.68 16.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.61 109.041 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.0 m-85 -140.2 -170.42 2.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.977 -1.077 . . . . 0.58 110.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -152.75 159.44 43.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.42 109.307 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -148.47 136.92 21.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.36 109.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 128.72 35.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.311 -0.868 . . . . 1.37 109.191 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.6 mt -123.97 115.52 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.012 -1.055 . . . . 0.47 109.558 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 153.0 40.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.299 -0.876 . . . . 2.1 109.679 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.87 7.05 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.835 -1.306 . . . . 0.42 109.835 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.1 ttp180 -81.01 -58.53 3.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -1.113 . . . . 2.68 109.437 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.21 -42.88 87.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.304 -0.872 . . . . 2.22 109.345 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.5 -42.73 96.93 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.357 -0.839 . . . . 2.77 109.294 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.2 t80 -55.4 -56.79 16.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.43 109.728 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.98 -34.26 28.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.819 . . . . 1.66 110.08 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.31 -48.24 78.88 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.144 -0.972 . . . . 0.44 110.004 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.498 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.7 m-85 -61.18 -50.35 73.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.169 -0.957 . . . . 0.29 109.377 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.22 -40.84 59.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.899 . . . . 2.44 109.692 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.66 98.48 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 1.74 109.983 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 344' ' ' LEU . 54.7 mt -62.2 -42.79 99.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.3 109.383 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.91 -50.54 72.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.88 . . . . 1.22 109.65 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.282 -0.886 . . . . 1.72 109.887 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -0.916 . . . . 0.27 110.02 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.38 -44.47 97.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.29 109.757 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.95 -36.42 74.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.91 109.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.615 HD21 HE21 ' B' ' 354' ' ' GLN . 6.3 tp -64.55 -41.92 96.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.41 109.544 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' B' ' 350' ' ' LEU . 13.1 ttmm -61.43 -44.52 96.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.272 -0.893 . . . . 1.56 109.047 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.98 -33.07 64.48 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.456 -0.777 . . . . 1.43 109.559 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.04 85.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.66 109.544 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.717 HE21 HD21 ' B' ' 350' ' ' LEU . 1.9 mp0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 1.18 109.592 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.254 0.55 . . . . 1.61 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.96 155.63 16.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.894 . . . . 0.57 109.099 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.1 m-85 -140.12 -170.47 2.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.013 -1.055 . . . . 0.53 109.996 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 66.9 p -152.72 159.55 43.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.795 . . . . 0.38 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.5 tp -148.57 136.82 21.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.048 -1.032 . . . . 0.36 109.693 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.49 128.7 34.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.897 . . . . 1.36 109.31 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.9 115.54 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.997 . . . . 0.49 109.517 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 153.0 40.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 2.1 109.659 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.96 7.06 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.827 -1.309 . . . . 0.44 109.827 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.2 ttp180 -81.01 -58.62 3.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 2.72 109.374 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.1 -42.95 86.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.36 -0.837 . . . . 2.21 109.358 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.42 -42.8 96.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.349 -0.845 . . . . 2.79 109.391 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.3 t80 -55.33 -56.8 15.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.466 -0.771 . . . . 0.45 109.711 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.05 -34.3 29.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.68 109.934 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.36 -48.17 79.06 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.104 -0.998 . . . . 0.43 110.033 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.8 m-85 -61.21 -50.51 72.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.28 109.247 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.07 -40.83 59.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.375 -0.828 . . . . 2.52 109.749 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.82 -42.76 98.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 1.75 109.976 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 344' ' ' LEU . 55.8 mt -62.17 -42.73 99.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.984 . . . . 0.31 109.487 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.92 -50.48 73.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.456 -0.777 . . . . 1.21 109.715 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.09 -32.47 73.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.35 -0.843 . . . . 1.69 109.865 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.44 -49.76 76.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.27 109.998 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.41 -44.6 96.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.832 . . . . 0.3 109.692 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.5 74.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 1.93 109.633 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.717 HD21 HE21 ' A' ' 354' ' ' GLN . 6.3 tp -64.35 -42.11 96.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.4 109.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.27 -44.6 96.97 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 1.59 109.092 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.03 -33.03 64.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.504 -0.747 . . . . 1.43 109.531 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.17 86.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.65 109.465 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.615 HE21 HD21 ' A' ' 350' ' ' LEU . 1.9 mp0 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 1.19 109.577 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.245 0.545 . . . . 2.11 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.02 155.57 16.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.64 109.033 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -140.1 -170.39 2.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.49 110.051 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.2 p -152.75 159.46 43.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.37 -0.831 . . . . 0.47 109.266 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.5 tp -148.55 136.81 21.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.42 109.646 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 128.63 34.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.81 109.299 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.8 115.65 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.096 -1.002 . . . . 0.42 109.527 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 152.98 40.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.835 . . . . 2.35 109.643 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 137.85 7.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.842 -1.303 . . . . 0.41 109.842 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.55 3.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 2.59 109.387 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -42.89 87.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 2.54 109.348 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.4 -42.76 96.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.312 -0.868 . . . . 3.39 109.4 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.6 t80 -55.34 -56.86 15.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.422 -0.799 . . . . 0.47 109.753 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.99 -34.24 28.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 1.66 110.029 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.39 -48.18 78.93 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.144 -0.972 . . . . 0.61 109.983 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.8 m-85 -61.14 -50.48 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.279 -0.888 . . . . 0.33 109.296 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -51.12 -40.78 59.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 3.28 109.787 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.75 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.15 -0.969 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' C' ' 344' ' ' LEU . 54.8 mt -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.225 -0.922 . . . . 0.38 109.461 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.97 -50.5 73.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.825 . . . . 1.2 109.71 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -62.24 -32.27 72.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 2.12 109.833 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.53 -49.92 75.63 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.259 -0.9 . . . . 0.26 109.926 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.3 -44.52 97.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.928 . . . . 0.4 109.719 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.79 -36.57 74.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.91 . . . . 2.09 109.608 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.743 HD21 HE21 ' D' ' 354' ' ' GLN . 6.3 tp -64.47 -41.88 96.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.75 109.558 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 2.19 108.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.97 -33.02 64.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.419 -0.8 . . . . 1.34 109.603 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.14 85.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.292 -0.88 . . . . 0.72 109.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.478 HE21 HD21 ' D' ' 350' ' ' LEU . 1.9 mp0 . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.8 109.644 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.262 0.553 . . . . 1.67 109.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.0 155.62 16.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.61 109.055 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -140.13 -170.4 2.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.56 110.012 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 66.8 p -152.73 159.64 43.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.346 -0.846 . . . . 0.43 109.171 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' B' ' 329' ' ' THR . 13.6 tp -148.71 136.92 21.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.35 109.645 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.69 128.75 35.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.393 -0.817 . . . . 1.37 109.228 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.91 115.55 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.48 109.524 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 152.99 40.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 2.08 109.63 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.24 137.9 7.04 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.783 -1.327 . . . . 0.4 109.783 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.57 3.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.429 -1.042 . . . . 2.64 109.39 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.09 -43.15 86.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 2.22 109.277 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.32 -42.78 96.32 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.304 -0.873 . . . . 2.74 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -55.42 -56.85 15.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 0.43 109.647 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.9 -34.38 28.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.835 . . . . 1.69 109.998 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.26 -48.22 79.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.043 -1.035 . . . . 0.43 110.094 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.2 m-85 -61.02 -50.57 72.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.927 . . . . 0.27 109.381 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.17 -40.77 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.393 -0.817 . . . . 2.45 109.74 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.85 -42.64 98.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 1.75 110.023 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' D' ' 344' ' ' LEU . 54.5 mt -62.24 -42.69 99.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.31 109.466 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.88 -50.63 72.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.33 -0.856 . . . . 1.22 109.654 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.13 -32.29 72.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.195 -0.941 . . . . 1.73 109.913 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.132 -0.98 . . . . 0.28 109.954 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.38 -44.63 96.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.31 109.718 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.45 74.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 1.91 109.594 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.487 HD23 HD23 ' C' ' 350' ' ' LEU . 6.3 tp -64.42 -42.11 96.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.43 109.491 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.463 ' HA ' HD22 ' C' ' 350' ' ' LEU . 13.1 ttmm -61.3 -44.54 97.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.342 -0.849 . . . . 1.57 109.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.05 -32.94 64.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.481 -0.762 . . . . 1.44 109.582 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.09 85.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.219 -0.926 . . . . 0.64 109.46 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.743 HE21 HD21 ' C' ' 350' ' ' LEU . 1.9 mp0 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.243 -0.91 . . . . 1.21 109.558 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.277 0.56 . . . . 1.7 109.556 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -98.55 150.47 21.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.61 109.789 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.9 m-85 -139.73 137.52 35.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.883 . . . . 0.58 108.935 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.54 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 75.8 p -93.06 166.77 12.19 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.23 -0.919 . . . . 0.42 110.269 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.2 tp -147.03 131.83 17.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.424 -0.798 . . . . 0.36 109.722 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.75 123.85 32.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 1.37 109.359 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.45 116.86 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 0.47 109.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -74.02 150.87 40.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 2.1 109.416 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.15 133.24 6.84 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.801 -1.319 . . . . 0.42 109.801 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.3 ttt180 -82.95 -54.7 4.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.274 -1.133 . . . . 2.68 109.512 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.89 -45.77 85.93 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 2.22 109.291 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.3 -38.7 84.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.339 -0.851 . . . . 2.77 109.24 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' C' ' 329' ' ' THR . 77.9 t80 -54.75 -55.44 29.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.421 -0.799 . . . . 0.43 109.685 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.66 -34.8 39.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.374 -0.829 . . . . 1.66 109.859 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.07 -47.86 82.78 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.139 -0.976 . . . . 0.44 109.744 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.22 -44.82 96.66 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -0.968 . . . . 0.29 109.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -53.15 -42.01 65.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.352 -0.842 . . . . 2.44 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.32 -49.62 77.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.95 . . . . 1.74 109.979 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.32 -33.1 71.92 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.113 -0.992 . . . . 0.3 108.85 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.03 -57.07 14.44 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.615 -0.678 . . . . 1.22 109.754 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.12 -26.55 68.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 1.72 110.15 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -60.84 3.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.27 110.284 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.18 -38.34 82.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.29 109.554 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.72 -36.09 75.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.265 -0.897 . . . . 1.91 109.47 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.513 HD11 ' NE2' ' B' ' 354' ' ' GLN . 38.1 tp -65.01 -40.83 95.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.41 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -50.73 70.93 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.847 -0.797 . . . . 1.56 108.847 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -57.16 -32.85 66.83 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.666 -0.646 . . . . 1.43 109.764 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.913 . . . . 0.66 109.805 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.773 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 1.18 109.82 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.295 0.569 . . . . 1.61 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.69 150.47 21.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.57 109.737 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -139.68 137.7 35.42 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.833 -0.803 . . . . 0.53 108.833 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.557 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.7 p -93.15 166.74 12.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.165 -0.959 . . . . 0.38 110.117 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 330' ' ' LEU . 25.0 tp -147.03 131.73 17.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.415 -0.803 . . . . 0.36 109.823 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.66 123.89 32.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.36 109.361 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 18.9 mt -124.58 116.94 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.49 109.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -74.07 150.99 40.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.199 -0.938 . . . . 2.1 109.405 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.17 133.26 6.85 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.808 -1.317 . . . . 0.44 109.808 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.3 ttt180 -83.14 -54.56 4.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -1.119 . . . . 2.72 109.419 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.89 -45.81 85.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 2.21 109.269 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -38.9 84.56 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 2.79 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' D' ' 329' ' ' THR . 77.9 t80 -54.69 -55.43 29.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.381 -0.824 . . . . 0.45 109.615 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.57 -34.91 38.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.391 -0.818 . . . . 1.68 109.928 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.93 -47.77 83.43 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.228 -0.92 . . . . 0.43 109.883 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.38 -44.7 96.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.28 109.145 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -53.32 -41.9 66.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.541 -0.724 . . . . 2.52 109.951 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.23 -49.71 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 1.75 109.986 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.27 -33.12 71.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.205 -0.934 . . . . 0.31 108.838 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.98 -57.23 13.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.523 -0.735 . . . . 1.21 109.672 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.03 -26.56 68.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 1.69 110.162 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -60.9 3.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.197 -0.939 . . . . 0.27 110.274 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 15.6 mt -60.31 -38.2 82.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.3 109.532 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.73 -36.02 75.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.224 -0.923 . . . . 1.93 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.773 HD11 ' NE2' ' A' ' 354' ' ' GLN . 38.0 tp -64.98 -40.92 95.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.387 -0.821 . . . . 0.4 109.315 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -50.53 71.73 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.743 0.782 . . . . 1.59 108.934 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -57.45 -32.73 67.22 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.71 -0.619 . . . . 1.43 109.811 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.65 109.756 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.513 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 1.19 109.804 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.244 0.545 . . . . 2.11 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.48 150.52 21.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.64 109.79 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.6 m-85 -139.79 137.56 35.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.49 108.904 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.546 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 75.9 p -92.94 166.83 12.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -0.955 . . . . 0.47 110.171 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' C' ' 330' ' ' LEU . 24.8 tp -147.05 131.67 17.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.404 -0.81 . . . . 0.42 109.86 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.68 123.81 32.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.188 -0.945 . . . . 1.81 109.459 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.47 116.98 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 0.42 109.942 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -74.14 150.98 40.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.172 -0.955 . . . . 2.35 109.396 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.11 133.19 6.8 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttt180 -83.0 -54.61 4.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 2.59 109.511 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.92 -45.71 86.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -0.905 . . . . 2.54 109.282 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.29 -38.78 84.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.463 -0.773 . . . . 3.39 109.277 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -54.81 -55.25 32.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.476 -0.765 . . . . 0.47 109.69 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.72 -34.9 41.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.405 -0.809 . . . . 1.66 109.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.92 -47.88 82.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.185 -0.947 . . . . 0.61 109.844 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.33 -44.7 96.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.33 109.132 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -53.17 -41.89 65.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.396 -0.815 . . . . 3.28 110.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.38 -49.65 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.18 -0.95 . . . . 1.78 109.94 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.34 -33.1 71.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.169 -0.957 . . . . 0.38 108.824 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.1 -57.05 14.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.534 -0.729 . . . . 1.2 109.682 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.06 -26.61 68.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 2.12 110.129 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.82 -60.93 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.06 -1.025 . . . . 0.26 110.128 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.22 -38.2 82.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.4 109.519 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.82 -36.06 76.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 2.09 109.358 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.915 HD11 ' NE2' ' D' ' 354' ' ' GLN . 38.1 tp -65.05 -40.75 95.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.75 109.38 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -50.69 71.01 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.877 -0.786 . . . . 2.19 108.877 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.19 -32.85 66.88 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.34 109.803 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.53 85.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.891 . . . . 0.72 109.798 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.805 ' NE2' HD11 ' D' ' 350' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 1.8 109.801 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.286 0.565 . . . . 1.67 109.618 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -98.57 150.49 21.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.61 109.787 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.7 m-85 -139.78 137.51 35.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.56 108.923 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.581 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.6 p -93.11 166.55 12.29 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.217 -0.927 . . . . 0.43 110.198 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' D' ' 330' ' ' LEU . 25.0 tp -146.82 131.79 18.17 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.401 -0.812 . . . . 0.35 109.831 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.63 123.94 33.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 1.37 109.379 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.59 116.99 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.33 -0.857 . . . . 0.48 109.806 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -74.15 150.87 40.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.97 . . . . 2.08 109.341 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.21 133.22 6.85 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.3 ttt180 -82.94 -54.76 4.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.367 -1.078 . . . . 2.64 109.433 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.9 -45.85 85.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.321 -0.862 . . . . 2.22 109.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.08 -38.84 84.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.299 -0.876 . . . . 2.74 109.293 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' B' ' 329' ' ' THR . 77.7 t80 -54.72 -55.4 30.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.421 -0.799 . . . . 0.43 109.665 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.63 -34.9 39.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.362 -0.836 . . . . 1.69 109.879 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.06 -47.71 83.5 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.146 -0.971 . . . . 0.43 109.755 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.32 -44.82 96.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.245 -0.91 . . . . 0.27 109.178 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -53.11 -42.02 65.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 2.45 109.983 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.36 -49.6 77.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.209 -0.932 . . . . 1.75 109.896 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.3 -33.06 71.82 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.131 -0.98 . . . . 0.31 108.849 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.13 -57.1 14.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.525 -0.735 . . . . 1.22 109.618 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.13 -26.47 68.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 1.73 110.144 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.81 -60.9 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.138 -0.976 . . . . 0.28 110.179 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.14 -38.33 82.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.31 109.558 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.65 -36.09 75.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.91 109.528 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.805 HD11 ' NE2' ' C' ' 354' ' ' GLN . 37.9 tp -64.96 -40.92 95.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.164 -0.96 . . . . 0.43 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' HD22 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.96 -50.7 71.08 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 1.57 108.932 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -57.27 -32.66 66.83 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.623 -0.673 . . . . 1.44 109.807 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.45 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.64 109.777 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.915 ' NE2' HD11 ' C' ' 350' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.928 . . . . 1.21 109.745 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 1.7 109.759 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -94.49 156.63 16.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.119 -0.988 . . . . 0.61 109.115 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.3 m-85 -140.34 -175.16 4.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.176 -0.953 . . . . 0.58 109.736 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.564 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.7 p -152.91 156.86 39.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.42 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.2 130.67 16.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.36 109.721 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.82 130.88 34.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 1.37 109.408 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' A' ' 341' ' ' PHE . 31.7 mt -123.51 116.04 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.47 109.268 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 149.19 43.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 2.1 109.445 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.65 133.73 4.15 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.525 -1.43 . . . . 0.42 109.525 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -75.3 -45.46 39.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -1.165 . . . . 2.68 109.486 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -46.62 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 2.22 109.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.524 ' HB2' ' NH1' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -59.3 -45.57 90.92 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 2.77 109.889 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.578 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.0 t80 -54.77 -55.73 26.94 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.372 -0.83 . . . . 0.43 109.858 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.58 -39.35 57.75 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.66 110.236 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.36 -47.7 81.03 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.09 -1.006 . . . . 0.44 110.537 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.33 -52.31 65.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.046 -1.034 . . . . 0.29 109.444 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.79 -38.25 47.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.39 -0.819 . . . . 2.44 109.631 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.21 -42.84 99.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.74 109.848 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 84.3 mt -62.5 -46.07 90.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.197 -0.94 . . . . 0.3 109.564 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.17 -44.0 87.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.388 -0.82 . . . . 1.22 109.958 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.66 97.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.72 110.023 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.33 -52.73 64.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 0.27 110.176 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.01 -40.35 93.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.267 -0.895 . . . . 0.29 109.793 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.91 109.64 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 22.5 tp -63.71 -44.58 93.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -0.892 . . . . 0.41 109.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.87 -48.2 80.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.311 -0.868 . . . . 1.56 109.233 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.46 -31.88 66.39 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.477 -0.765 . . . . 1.43 109.792 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.43 90.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.66 109.523 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 1.18 109.533 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.247 0.546 . . . . 1.61 109.763 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -94.38 156.63 16.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.301 -0.874 . . . . 0.57 109.096 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 70.3 m-85 -140.48 -175.28 4.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.094 -1.004 . . . . 0.53 109.694 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.503 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 17.8 p -152.77 157.01 40.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.38 109.228 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.25 130.64 16.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.17 -0.956 . . . . 0.36 109.66 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.89 131.0 34.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 1.36 109.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' B' ' 341' ' ' PHE . 31.4 mt -123.56 115.91 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.229 -0.92 . . . . 0.49 109.383 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 149.21 43.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 2.1 109.412 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.55 133.79 4.12 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.589 -1.405 . . . . 0.44 109.589 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.2 ttt180 -75.36 -45.42 39.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -1.122 . . . . 2.72 109.453 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.33 -46.76 85.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.825 . . . . 2.21 109.444 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.513 ' HB2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -59.4 -45.54 91.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.228 -0.92 . . . . 2.79 109.802 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.1 t80 -54.74 -55.65 27.67 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.421 -0.799 . . . . 0.45 109.887 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.56 -39.36 57.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.874 . . . . 1.68 110.277 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.43 -47.72 80.75 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.087 -1.008 . . . . 0.43 110.493 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' B' ' 332' ' ' ILE . 28.2 m-85 -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.989 -1.07 . . . . 0.28 109.462 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.84 -38.26 47.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.344 -0.848 . . . . 2.52 109.582 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.19 -42.93 99.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.124 -0.985 . . . . 1.75 109.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 84.7 mt -62.35 -46.21 89.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.335 -0.853 . . . . 0.31 109.614 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.04 -43.98 87.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.29 -0.881 . . . . 1.21 109.991 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.304 -0.873 . . . . 1.69 110.021 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.44 -52.64 64.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.27 110.143 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.153 -0.967 . . . . 0.3 109.874 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 1.93 109.805 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 22.2 tp -63.69 -44.63 93.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -0.904 . . . . 0.4 109.596 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.78 -48.23 80.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.435 -0.791 . . . . 1.59 109.281 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.34 -32.01 66.29 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.563 -0.711 . . . . 1.43 109.735 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.29 90.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.65 109.577 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 1.19 109.493 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.194 0.521 . . . . 2.11 109.807 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -94.35 156.65 16.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.64 109.145 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.4 m-85 -140.43 -175.17 4.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.141 -0.974 . . . . 0.49 109.68 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.56 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 17.6 p -152.88 156.87 39.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.363 -0.836 . . . . 0.47 109.208 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.21 130.65 16.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.119 -0.988 . . . . 0.42 109.68 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.93 131.03 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 1.81 109.405 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.595 HG21 ' HD2' ' C' ' 341' ' ' PHE . 31.8 mt -123.56 116.06 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.42 109.31 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 149.17 43.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 2.35 109.393 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.76 4.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.548 -1.421 . . . . 0.41 109.548 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.4 ttt180 -75.34 -45.43 39.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -1.13 . . . . 2.59 109.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.3 -46.75 85.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 2.54 109.449 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.295 -0.878 . . . . 3.39 109.904 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.586 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.71 -55.79 26.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.434 -0.792 . . . . 0.47 109.816 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.49 -39.42 57.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 1.66 110.266 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.39 -47.77 80.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.076 -1.015 . . . . 0.61 110.399 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' C' ' 332' ' ' ILE . 28.4 m-85 -61.3 -52.18 65.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.1 -1.0 . . . . 0.33 109.506 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.87 -38.29 48.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.301 -0.874 . . . . 3.28 109.58 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.17 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 1.78 109.77 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' D' ' 344' ' ' LEU . 84.2 mt -62.49 -46.19 89.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.38 109.539 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -57.95 -44.17 86.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 1.2 109.915 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.56 97.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.294 -0.879 . . . . 2.12 110.088 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.39 -52.62 64.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.245 -0.909 . . . . 0.26 110.198 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.09 -40.39 93.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -0.958 . . . . 0.4 109.737 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.99 -36.44 79.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 2.09 109.656 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 22.4 tp -63.59 -44.79 92.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.75 109.559 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.69 -48.36 79.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 2.19 109.215 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.37 -31.95 66.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.457 -0.777 . . . . 1.34 109.754 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.34 90.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.72 109.559 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 1.8 109.52 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.338 0.59 . . . . 1.67 109.815 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -94.45 156.65 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.61 109.009 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.6 m-85 -140.54 -175.31 4.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.56 109.678 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.7 p -152.73 156.9 40.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 0.43 109.17 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.24 130.7 16.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 0.35 109.632 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 34.3 tt0 -86.84 131.03 34.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.37 109.345 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.593 HG21 ' HD2' ' D' ' 341' ' ' PHE . 32.2 mt -123.71 115.95 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.48 109.223 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 149.21 43.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 2.08 109.458 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.81 4.15 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.596 -1.402 . . . . 0.4 109.596 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -75.41 -45.41 39.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -1.144 . . . . 2.64 109.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -58.25 -46.71 85.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.318 -0.864 . . . . 2.22 109.562 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -59.35 -45.58 90.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.292 -0.88 . . . . 2.74 109.873 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' D' ' 332' ' ' ILE . 53.5 t80 -54.74 -55.69 27.26 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.402 -0.811 . . . . 0.43 109.884 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.54 -39.4 57.66 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.296 -0.877 . . . . 1.69 110.288 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.4 -47.72 80.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.034 -1.041 . . . . 0.43 110.507 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.593 ' HD2' HG21 ' D' ' 332' ' ' ILE . 28.1 m-85 -61.32 -52.22 65.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.009 -1.057 . . . . 0.27 109.431 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.85 -38.29 48.29 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.426 -0.796 . . . . 2.45 109.522 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -61.15 -42.89 99.36 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.161 -0.962 . . . . 1.75 109.85 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' C' ' 344' ' ' LEU . 84.6 mt -62.35 -46.2 89.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.31 109.576 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.11 -44.03 87.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.385 -0.822 . . . . 1.22 109.945 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.4 -40.57 97.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 1.73 110.056 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.3 -52.85 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.28 110.189 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.93 -40.34 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 0.31 109.809 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.01 -36.43 79.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 1.91 109.755 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 22.4 tp -63.75 -44.5 93.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.881 . . . . 0.43 109.627 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.85 -48.23 79.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.453 -0.78 . . . . 1.57 109.207 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.37 -31.93 66.28 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.602 -0.686 . . . . 1.44 109.761 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.33 90.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.64 109.516 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 1.21 109.503 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.282 0.563 . . . . 1.7 109.608 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -95.58 144.92 25.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 0.61 109.401 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 51.0 m-85 -138.66 137.28 36.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.16 -0.962 . . . . 0.58 109.243 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 19.4 p -92.12 176.66 6.42 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.453 -0.779 . . . . 0.42 109.716 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' C' ' 342' ' ' ARG . 15.2 tp -148.83 129.13 13.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.481 -0.762 . . . . 0.36 109.05 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.66 120.46 27.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 1.37 109.802 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 341' ' ' PHE . 42.5 mt -123.88 106.66 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.47 109.427 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -73.75 139.06 44.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 2.1 109.51 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.05 7.54 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 13.5 ttp180 -82.21 -59.59 2.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -1.188 . . . . 2.68 109.529 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.47 -40.83 83.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.899 . . . . 2.22 109.563 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.836 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -62.55 -44.2 96.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.863 . . . . 2.77 109.298 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 24.5 t80 -54.9 -47.09 74.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.402 -0.811 . . . . 0.43 109.288 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.19 -40.97 59.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.66 110.005 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -62.72 -46.23 89.06 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.936 . . . . 0.44 110.273 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 22.1 m-85 -61.02 -56.26 23.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.064 -1.023 . . . . 0.29 109.409 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' C' ' 330' ' ' LEU . 9.1 ttm180 -49.93 -34.44 20.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.402 -0.812 . . . . 2.44 109.597 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.44 -49.98 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 1.74 109.435 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 344' ' ' LEU . 96.5 mt -61.42 -34.98 76.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.3 108.929 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.16 66.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.389 -0.819 . . . . 1.22 109.506 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.8 -33.24 74.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.377 -0.827 . . . . 1.72 109.91 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.96 -53.63 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.254 -0.904 . . . . 0.27 110.065 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' NH1' ' C' ' 337' ' ' ARG . 59.2 mt -61.22 -41.12 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.29 109.762 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.09 -37.45 82.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 1.91 110.001 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.9 -44.78 88.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.41 109.506 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.0 ttmt -61.67 -43.65 98.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 1.56 109.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.25 -33.12 67.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.525 -0.734 . . . . 1.43 109.794 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.35 87.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.66 109.791 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.139 -0.976 . . . . 1.18 109.601 -179.818 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.374 0.607 . . . . 1.61 109.586 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.61 145.04 25.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.968 . . . . 0.57 109.418 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 51.1 m-85 -138.79 137.34 36.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.53 109.225 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 19.0 p -92.3 176.46 6.47 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.363 -0.836 . . . . 0.38 109.719 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' D' ' 342' ' ' ARG . 15.2 tp -148.61 129.19 14.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.432 -0.793 . . . . 0.36 109.06 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.36 27.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.839 . . . . 1.36 109.831 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' B' ' 341' ' ' PHE . 42.7 mt -123.78 106.72 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.49 109.378 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.84 139.1 44.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.1 109.432 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.18 136.97 7.5 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.753 -1.339 . . . . 0.44 109.753 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 13.5 ttp180 -81.99 -59.76 2.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.251 -1.147 . . . . 2.72 109.515 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.95 83.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.229 -0.919 . . . . 2.21 109.522 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.775 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.1 tpp180 -62.45 -44.22 96.94 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.359 -0.838 . . . . 2.79 109.256 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 24.6 t80 -54.83 -47.33 74.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.372 -0.83 . . . . 0.45 109.266 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.14 -40.79 59.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.68 110.01 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.79 -46.34 88.44 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 0.43 110.203 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.642 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 21.9 m-85 -61.01 -56.2 23.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.28 109.431 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.599 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.1 ttm180 -50.05 -34.45 21.53 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.352 -0.843 . . . . 2.52 109.49 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.4 -49.96 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.064 -1.023 . . . . 1.75 109.534 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 344' ' ' LEU . 96.5 mt -61.33 -34.99 76.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.304 -0.873 . . . . 0.31 109.022 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.3 t-20 -58.89 -52.14 67.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.47 -0.769 . . . . 1.21 109.465 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.79 -33.29 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.415 -0.803 . . . . 1.69 109.837 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.02 -53.63 54.85 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.27 109.999 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.763 HD22 ' NH1' ' D' ' 337' ' ' ARG . 58.7 mt -61.12 -41.33 96.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.3 109.764 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.85 -37.6 82.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.353 -0.842 . . . . 1.93 109.989 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.88 -44.72 88.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.4 109.581 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.0 ttmt -61.62 -43.77 98.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.431 -0.793 . . . . 1.59 109.243 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.03 67.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.528 -0.733 . . . . 1.43 109.839 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.44 87.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.186 -0.946 . . . . 0.65 109.864 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 1.19 109.624 -179.832 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.278 0.561 . . . . 2.11 109.57 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 15.2 m-85 -95.47 145.05 25.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.64 109.444 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 50.8 m-85 -138.82 137.33 36.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.27 -0.894 . . . . 0.49 109.223 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.31 176.43 6.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.509 -0.744 . . . . 0.47 109.729 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' ' 342' ' ' ARG . 15.2 tp -148.61 129.1 13.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.407 -0.808 . . . . 0.42 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.51 27.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.81 109.844 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.519 HD13 ' CB ' ' C' ' 341' ' ' PHE . 43.1 mt -123.96 106.65 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.42 109.399 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 139.17 44.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 2.35 109.467 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.19 137.04 7.52 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.671 -1.372 . . . . 0.41 109.671 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 13.5 ttp180 -82.12 -59.58 2.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -1.092 . . . . 2.59 109.517 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.98 83.88 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.867 . . . . 2.54 109.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.766 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.27 96.77 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.268 -0.895 . . . . 3.39 109.174 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.81 -47.23 74.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.396 -0.815 . . . . 0.47 109.248 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.18 -40.86 59.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 1.66 109.998 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.83 -46.15 89.26 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.61 110.27 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 22.3 m-85 -60.93 -56.44 21.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.135 -0.978 . . . . 0.33 109.385 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 330' ' ' LEU . 9.1 ttm180 -49.96 -34.38 20.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 3.28 109.522 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.46 -49.87 75.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.196 -0.94 . . . . 1.78 109.543 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' D' ' 344' ' ' LEU . 96.5 mt -61.44 -34.98 76.34 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.38 109.021 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.07 67.32 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.392 -0.818 . . . . 1.2 109.508 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -62.79 -33.26 74.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.435 -0.791 . . . . 2.12 109.88 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.07 -53.7 53.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.26 109.921 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 HH12 ' A' ' 337' ' ' ARG . 58.9 mt -61.08 -41.46 96.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.4 109.724 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.53 82.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 2.09 109.944 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.673 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -65.03 -44.57 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.75 109.566 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 2.19 109.393 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.39 -33.0 67.38 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 1.34 109.868 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.4 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.72 109.758 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 1.8 109.628 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.58 -0.526 . . . . 1.67 109.58 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 15.0 m-85 -95.61 145.06 25.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.61 109.392 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 50.4 m-85 -138.79 137.25 36.5 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.18 -0.95 . . . . 0.56 109.33 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.25 176.3 6.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.455 -0.778 . . . . 0.43 109.713 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' B' ' 342' ' ' ARG . 15.2 tp -148.46 129.17 14.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.35 109.11 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.61 120.39 27.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.218 -0.926 . . . . 1.37 109.862 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CB ' ' D' ' 341' ' ' PHE . 42.8 mt -123.9 106.57 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 0.48 109.526 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 139.13 45.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.293 -0.879 . . . . 2.08 109.507 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.12 137.0 7.53 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.834 -1.306 . . . . 0.4 109.834 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 13.4 ttp180 -82.18 -59.58 2.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -1.107 . . . . 2.64 109.494 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.38 -40.99 83.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 2.22 109.53 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.763 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.29 96.72 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.27 -0.894 . . . . 2.74 109.175 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.4 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 24.7 t80 -54.72 -47.26 73.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.43 109.359 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.12 -40.85 59.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.217 -0.927 . . . . 1.69 110.092 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.2 ttp -62.69 -46.42 88.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.126 -0.984 . . . . 0.43 110.169 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.638 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 22.2 m-85 -60.89 -56.4 21.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.27 109.458 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.585 ' HA ' HD11 ' B' ' 330' ' ' LEU . 9.1 ttm180 -49.84 -34.51 20.09 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.283 -0.886 . . . . 2.45 109.536 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.41 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 1.75 109.593 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' C' ' 344' ' ' LEU . 96.5 mt -61.29 -35.1 76.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.198 -0.939 . . . . 0.31 109.028 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.435 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.2 t-20 -58.69 -52.22 66.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.423 -0.798 . . . . 1.22 109.553 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.75 -33.37 75.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 1.73 109.833 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.85 -53.76 53.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.915 . . . . 0.28 109.956 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.775 HD22 ' NH1' ' B' ' 337' ' ' ARG . 59.5 mt -61.11 -41.42 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.31 109.728 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.5 82.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.91 110.023 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.672 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.95 -44.67 88.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.43 109.568 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.515 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.72 98.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 1.57 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.17 -33.22 67.22 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.584 -0.698 . . . . 1.44 109.837 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.45 87.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.64 109.838 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.924 . . . . 1.21 109.678 -179.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.271 0.558 . . . . 1.7 109.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.0 m-85 -93.39 152.39 19.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.21 -0.931 . . . . 0.61 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.5 m-85 -139.24 -168.7 2.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.58 109.663 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.8 p -152.42 160.92 43.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.862 . . . . 0.42 109.465 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.9 133.52 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.36 109.404 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.44 129.11 34.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.334 -0.854 . . . . 1.37 109.403 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 338' ' ' PHE . 30.5 mt -123.94 118.57 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.47 109.485 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.97 150.15 40.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.848 . . . . 2.1 109.588 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 134.22 5.36 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.727 -1.349 . . . . 0.42 109.727 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.84 -53.7 6.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.176 -1.191 . . . . 2.68 109.327 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -46.17 87.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 2.22 109.274 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.446 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 0.4 OUTLIER -60.99 -41.24 96.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.354 -0.841 . . . . 2.77 109.318 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 332' ' ' ILE . 49.2 t80 -55.23 -56.12 23.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.465 -0.772 . . . . 0.43 109.593 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.87 -33.62 24.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.404 -0.81 . . . . 1.66 109.867 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.37 75.19 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.44 109.916 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.38 -48.88 79.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.29 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.51 -37.98 51.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 2.44 109.503 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -47.7 84.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.311 -0.868 . . . . 1.74 109.659 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 344' ' ' LEU . 49.2 mt -61.46 -33.98 74.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.27 -0.893 . . . . 0.3 108.735 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.71 -57.46 12.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.495 -0.753 . . . . 1.22 109.429 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -26.11 68.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.72 109.824 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.97 -57.9 10.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.144 -0.973 . . . . 0.27 110.022 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.66 -40.13 90.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.29 109.461 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -35.63 73.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.239 -0.913 . . . . 1.91 109.294 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.578 HD22 ' HD3' ' B' ' 351' ' ' LYS . 10.3 tp -64.98 -40.73 95.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.376 -0.827 . . . . 0.41 109.222 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.426 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -62.51 -50.36 71.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.461 -0.774 . . . . 1.56 109.073 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -30.11 60.75 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.616 -0.677 . . . . 1.43 109.702 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.74 82.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.897 . . . . 0.66 109.736 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.549 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 1.18 109.612 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.327 0.584 . . . . 1.61 109.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 7.8 m-85 -93.36 152.33 19.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.228 -0.92 . . . . 0.57 109.264 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 68.8 m-85 -139.27 -168.72 2.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.296 -0.878 . . . . 0.53 109.723 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.9 p -152.38 160.87 43.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.38 109.504 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.3 tp -148.81 133.46 17.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.36 109.522 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.18 34.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.36 109.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 338' ' ' PHE . 30.9 mt -123.97 118.52 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.49 109.506 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.94 150.2 40.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 2.1 109.652 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.57 134.18 5.27 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.784 -1.326 . . . . 0.44 109.784 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -80.7 -53.77 6.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -1.191 . . . . 2.72 109.398 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -46.33 86.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 2.21 109.293 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 0.4 OUTLIER -60.91 -41.3 95.87 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.313 -0.867 . . . . 2.79 109.296 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.484 ' CD1' HD12 ' B' ' 332' ' ' ILE . 49.3 t80 -55.28 -56.01 24.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.799 . . . . 0.45 109.6 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.01 -33.48 25.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.341 -0.85 . . . . 1.68 109.9 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.44 74.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.164 -0.96 . . . . 0.43 109.893 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -48.8 79.52 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.28 109.307 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.53 -38.06 52.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 2.52 109.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.78 84.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.157 -0.965 . . . . 1.75 109.675 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 344' ' ' LEU . 49.6 mt -61.4 -33.96 74.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.31 108.729 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.84 -57.4 13.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.457 -0.777 . . . . 1.21 109.404 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -26.11 68.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 1.69 109.793 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.96 -58.0 10.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.27 109.979 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.401 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 38.4 mt -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.3 109.488 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.11 -35.69 73.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 1.93 109.39 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.549 HD21 ' NE2' ' A' ' 354' ' ' GLN . 10.3 tp -64.97 -40.67 95.33 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.4 109.304 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.578 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.4 -50.4 71.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.662 0.744 . . . . 1.59 109.065 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -30.04 61.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.708 -0.62 . . . . 1.43 109.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.98 81.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.815 . . . . 0.65 109.638 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.107 -0.996 . . . . 1.19 109.689 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.493 -0.558 . . . . 2.11 109.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 7.9 m-85 -93.3 152.4 19.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.29 -0.881 . . . . 0.64 109.283 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.5 m-85 -139.23 -168.71 2.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 0.49 109.705 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.9 p -152.38 160.98 43.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.47 109.445 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.4 tp -148.96 133.41 17.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.949 . . . . 0.42 109.494 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 17.2 tt0 -86.32 129.01 35.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 1.81 109.472 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.486 HD12 ' CD1' ' C' ' 338' ' ' PHE . 30.5 mt -123.87 118.58 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.42 109.587 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.99 150.1 40.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 2.35 109.703 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.61 134.2 5.3 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.822 -1.311 . . . . 0.41 109.822 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.47 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.69 -53.87 6.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -1.142 . . . . 2.59 109.301 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -46.41 86.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 2.54 109.326 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -41.27 95.5 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.332 -0.855 . . . . 3.39 109.342 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' C' ' 332' ' ' ILE . 49.6 t80 -55.25 -56.07 24.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 0.47 109.611 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.98 -33.56 25.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 1.66 109.912 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.77 -49.34 75.38 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.183 -0.948 . . . . 0.61 109.942 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.46 -49.04 78.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.33 109.113 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.4 -37.98 51.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 3.28 109.485 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -47.69 84.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.249 -0.907 . . . . 1.78 109.715 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' D' ' 344' ' ' LEU . 49.7 mt -61.52 -33.81 74.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.38 108.773 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.86 -57.4 13.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.438 -0.788 . . . . 1.2 109.4 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -26.01 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.438 -0.789 . . . . 2.12 109.727 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.03 -57.95 10.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.311 -0.868 . . . . 0.26 109.966 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.446 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 37.7 mt -60.63 -40.24 91.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.4 109.427 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.07 -35.68 73.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 2.09 109.316 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.477 HD11 HE21 ' D' ' 354' ' ' GLN . 10.3 tp -64.95 -40.74 95.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.75 109.25 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.28 72.13 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 2.19 109.132 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.708 -0.62 . . . . 1.34 109.634 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.98 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.72 109.699 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.143 -0.973 . . . . 1.8 109.645 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.542 -0.54 . . . . 1.67 109.542 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 7.8 m-85 -93.29 152.39 19.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.61 109.328 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.5 m-85 -139.28 -168.67 2.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.957 . . . . 0.56 109.656 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.8 p -152.4 160.87 43.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.43 109.463 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.82 133.45 17.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.35 109.508 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.1 34.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.344 -0.847 . . . . 1.37 109.441 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.478 HD12 ' CD1' ' D' ' 338' ' ' PHE . 30.4 mt -123.94 118.47 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.48 109.509 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.92 150.11 41.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -0.842 . . . . 2.08 109.733 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.55 134.18 5.26 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.825 -1.31 . . . . 0.4 109.825 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -80.62 -53.9 6.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -1.114 . . . . 2.64 109.308 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -46.45 86.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 2.22 109.248 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 0.4 OUTLIER -60.78 -41.27 95.22 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.292 -0.88 . . . . 2.74 109.304 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.25 -56.01 24.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.789 . . . . 0.43 109.625 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.06 -33.53 26.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.432 -0.792 . . . . 1.69 109.866 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.73 -49.38 75.26 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.169 -0.957 . . . . 0.43 109.897 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -49.01 78.56 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.281 -0.887 . . . . 0.27 109.185 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.36 -38.09 51.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 2.45 109.572 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -47.71 84.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.145 -0.972 . . . . 1.75 109.686 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' C' ' 344' ' ' LEU . 49.7 mt -61.45 -33.96 74.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.31 108.739 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.72 -57.44 12.99 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.415 -0.803 . . . . 1.22 109.407 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -25.97 68.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.355 -0.841 . . . . 1.73 109.728 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.07 -57.83 10.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.28 110.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 37.6 mt -60.65 -40.1 90.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.31 109.522 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.23 -35.63 73.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.922 . . . . 1.91 109.297 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' C' ' 354' ' ' GLN . 10.3 tp -64.84 -40.78 95.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.43 109.339 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -62.42 -50.29 72.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.433 -0.792 . . . . 1.57 109.129 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -29.98 60.97 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.645 -0.659 . . . . 1.44 109.679 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.04 81.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.271 -0.893 . . . . 0.64 109.731 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.477 HE21 HD11 ' C' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 1.21 109.684 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.247 -0.649 . . . . 1.7 109.247 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 6.9 m-85 -91.77 153.39 19.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.61 109.394 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.4 m-85 -136.08 -171.26 2.83 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.317 -0.864 . . . . 0.58 109.662 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 13.4 p -151.78 158.53 43.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 0.42 109.067 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.65 133.67 18.17 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.393 -0.817 . . . . 0.36 109.45 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 2.9 tt0 -87.02 129.07 35.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 1.37 109.332 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.9 mt -124.09 113.21 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.47 109.444 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 148.39 42.05 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.173 -0.954 . . . . 2.1 109.826 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.7 132.1 6.89 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.709 -1.356 . . . . 0.42 109.709 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.7 ttt180 -75.05 -58.22 3.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -1.16 . . . . 2.68 109.581 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -44.25 84.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 2.22 109.659 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -42.64 95.32 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.28 -0.887 . . . . 2.77 109.53 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.6 t80 -56.18 -55.56 31.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.43 109.839 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.37 -37.64 49.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.367 -0.833 . . . . 1.66 110.012 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.53 -48.61 78.78 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.197 -0.94 . . . . 0.44 109.79 -179.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 29.6 m-85 -59.79 -52.06 67.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.028 -1.045 . . . . 0.29 109.412 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.34 -38.57 59.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.421 -0.799 . . . . 2.44 109.942 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -58.85 -42.84 90.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 1.74 109.767 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' B' ' 344' ' ' LEU . 64.9 mt -61.71 -45.7 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.3 109.461 -179.455 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -57.9 -43.87 86.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 1.22 109.757 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.448 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 3.2 mt-10 -63.01 -37.9 89.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 1.72 109.966 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.38 -52.07 66.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.27 109.879 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.475 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 21.7 mt -60.6 -40.54 92.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.29 109.476 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.31 -38.81 81.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 1.91 109.711 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 21.5 tp -64.03 -42.23 97.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.41 109.575 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 14.7 ttmt -61.99 -45.84 91.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.169 -0.957 . . . . 1.56 109.121 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.74 -30.64 65.73 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.542 -0.724 . . . . 1.43 109.816 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.52 81.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.541 -0.724 . . . . 0.66 109.878 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' B' ' 350' ' ' LEU . 2.7 mt-30 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.986 . . . . 1.18 109.88 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.341 -0.614 . . . . 1.61 109.341 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 6.3 m-85 -91.74 153.44 19.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.57 109.475 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -136.14 -171.08 2.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.53 109.61 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.7 p -151.81 158.6 43.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.38 109.183 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.6 tp -148.61 133.78 18.31 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.2 -0.937 . . . . 0.36 109.545 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 2.9 tt0 -86.99 128.82 35.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.352 -0.843 . . . . 1.36 109.368 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.0 mt -123.89 113.24 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.49 109.447 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.51 42.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 2.1 109.732 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.63 132.21 6.92 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 62.4 ttt180 -75.18 -58.16 3.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -1.191 . . . . 2.72 109.587 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.7 -44.12 85.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 2.21 109.599 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -60.18 -42.41 94.95 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.127 -0.983 . . . . 2.79 109.6 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.5 t80 -56.14 -55.93 27.02 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.438 -0.789 . . . . 0.45 109.821 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -51.06 -37.55 46.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 1.68 109.998 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.5 -48.76 78.14 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.276 -0.89 . . . . 0.43 109.86 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 29.3 m-85 -59.85 -52.02 67.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.037 -1.039 . . . . 0.28 109.362 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -52.34 -38.68 59.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.481 -0.762 . . . . 2.52 109.824 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.75 -42.65 89.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.941 . . . . 1.75 109.886 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' A' ' 344' ' ' LEU . 64.1 mt -61.92 -45.49 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.2 -0.937 . . . . 0.31 109.538 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -58.11 -43.75 87.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 1.21 109.632 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 3.3 mt-10 -63.01 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 1.69 109.918 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -52.21 66.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.27 109.943 -179.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 21.7 mt -60.66 -40.29 91.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.3 109.516 -179.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.56 -38.89 82.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.213 -0.929 . . . . 1.93 109.633 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.57 HD21 ' NE2' ' A' ' 354' ' ' GLN . 22.3 tp -63.91 -42.2 97.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.4 109.536 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.4 ttmt -62.07 -45.89 91.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 1.59 109.177 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.69 -30.75 65.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.54 -0.725 . . . . 1.43 109.755 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.29 81.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.65 109.988 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.19 109.784 -179.818 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.285 -0.635 . . . . 2.11 109.285 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 6.2 m-85 -91.84 153.25 19.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.937 . . . . 0.64 109.418 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.2 m-85 -135.82 -170.91 2.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.49 109.484 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 13.4 p -151.95 158.42 43.11 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.309 -0.87 . . . . 0.47 109.13 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -148.69 133.72 18.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.02 128.95 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.373 -0.829 . . . . 1.81 109.364 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.2 mt -124.06 113.16 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.42 109.523 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 148.3 42.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 2.35 109.719 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.94 132.38 7.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 62.5 ttt180 -75.14 -58.53 3.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -1.18 . . . . 2.59 109.555 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -44.29 83.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 2.54 109.736 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.05 -42.62 94.86 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.308 -0.87 . . . . 3.39 109.647 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -56.17 -55.8 28.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.354 -0.841 . . . . 0.47 109.756 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.86 -37.81 45.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.908 . . . . 1.66 110.073 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.41 -48.53 79.31 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.24 -0.912 . . . . 0.61 110.024 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 29.1 m-85 -60.03 -52.22 66.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.33 109.324 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -52.2 -38.79 58.95 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.423 -0.798 . . . . 3.28 109.75 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.76 -42.57 89.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.198 -0.939 . . . . 1.78 109.991 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.84 -45.73 92.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.227 -0.921 . . . . 0.38 109.474 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.87 -43.63 86.12 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.2 109.762 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.418 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 3.3 mt-10 -63.15 -37.98 89.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.308 -0.87 . . . . 2.12 109.813 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.34 -52.14 66.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.892 . . . . 0.26 110.01 -179.33 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.492 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 21.6 mt -60.65 -40.44 92.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.4 109.393 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.32 -38.86 81.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 2.09 109.686 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 21.7 tp -64.07 -42.08 97.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 0.75 109.595 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.09 -45.85 91.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.19 109.18 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.82 -30.57 65.83 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.588 -0.695 . . . . 1.34 109.645 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.79 81.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.44 -0.787 . . . . 0.72 109.957 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.501 ' NE2' HD21 ' D' ' 350' ' ' LEU . 2.8 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 1.8 109.79 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.148 -0.686 . . . . 1.67 109.148 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 6.4 m-85 -91.84 153.44 19.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 0.61 109.393 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 83.7 m-85 -136.03 -171.03 2.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.425 -0.797 . . . . 0.56 109.579 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 13.4 p -152.17 158.05 42.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.416 -0.803 . . . . 0.43 109.106 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.34 133.83 18.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 0.35 109.561 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -86.93 128.87 35.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.26 -0.9 . . . . 1.37 109.427 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.2 mt -124.0 113.34 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.282 -0.886 . . . . 0.48 109.468 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.37 42.51 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.348 -0.845 . . . . 2.08 109.692 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.67 132.52 7.06 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.774 -1.33 . . . . 0.4 109.774 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.607 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 62.3 ttt180 -75.35 -58.51 3.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -1.073 . . . . 2.64 109.528 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -44.47 84.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.394 -0.816 . . . . 2.22 109.681 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.92 -42.47 94.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 2.74 109.756 -179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.5 t80 -56.16 -55.68 30.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.835 . . . . 0.43 109.804 -179.651 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -51.23 -37.62 47.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.69 110.012 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -62.56 -48.48 79.3 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.157 -0.964 . . . . 0.43 109.915 -179.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 29.2 m-85 -60.03 -52.25 66.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.27 109.316 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.16 -38.74 58.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.337 -0.852 . . . . 2.45 109.827 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.65 -42.82 89.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.113 -0.992 . . . . 1.75 109.834 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' C' ' 344' ' ' LEU . 67.2 mt -61.67 -45.68 92.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.287 -0.883 . . . . 0.31 109.605 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.93 -43.66 86.44 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.29 -0.881 . . . . 1.22 109.67 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.28 -37.94 89.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.73 109.862 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.23 -52.06 66.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.199 -0.938 . . . . 0.28 109.881 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 21.0 mt -60.61 -40.55 92.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 0.31 109.49 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.56 -38.7 81.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.355 -0.841 . . . . 1.91 109.557 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.501 HD21 ' NE2' ' C' ' 354' ' ' GLN . 21.7 tp -63.94 -42.36 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.149 -0.969 . . . . 0.43 109.503 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.466 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 14.4 ttmt -61.78 -46.08 91.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.57 109.29 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.69 -30.88 65.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.579 -0.701 . . . . 1.44 109.667 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.66 81.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.346 -0.846 . . . . 0.64 110.037 -179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 1.21 109.764 -179.756 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.278 0.561 . . . . 1.7 109.799 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 19.9 m-85 -94.93 154.87 17.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.204 -0.935 . . . . 0.61 108.892 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 87.6 m-85 -139.31 -172.73 3.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 0.58 109.945 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -153.1 160.06 42.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.402 -0.811 . . . . 0.42 109.085 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -149.79 131.3 14.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.145 -0.972 . . . . 0.36 109.663 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 41.3 tt0 -86.28 127.16 34.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.345 -0.847 . . . . 1.37 109.442 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.3 mt -124.12 112.68 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.169 -0.957 . . . . 0.47 109.716 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.55 149.4 42.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 2.1 109.318 179.755 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.46 131.86 7.28 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.639 -1.384 . . . . 0.42 109.639 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -74.01 -65.76 0.8 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.074 . . . . 2.68 109.57 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.44 -39.05 82.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 2.22 109.822 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -46.04 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.204 -0.935 . . . . 2.77 109.674 -179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.1 t80 -55.03 -55.68 28.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.825 . . . . 0.43 109.758 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.72 -33.96 24.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.333 -0.854 . . . . 1.66 109.935 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.36 -50.73 70.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.197 -0.939 . . . . 0.44 109.93 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.434 ' HB2' HD13 ' A' ' 332' ' ' ILE . 18.3 m-85 -60.99 -48.47 81.67 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.233 -0.917 . . . . 0.29 109.25 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -51.6 -38.12 53.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.439 -0.788 . . . . 2.44 109.649 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.81 -48.4 81.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.188 -0.945 . . . . 1.74 109.604 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' B' ' 344' ' ' LEU . 71.0 mt -61.86 -33.32 73.98 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.211 -0.931 . . . . 0.3 108.69 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.13 25.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.518 -0.739 . . . . 1.22 109.602 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.63 -30.46 71.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 1.72 109.896 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.14 -55.33 33.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.27 109.95 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.78 -33.52 73.1 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.29 109.6 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.38 -40.17 95.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.948 . . . . 1.91 109.771 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.47 -49.48 71.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.884 . . . . 0.41 109.666 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' B' ' 346' ' ' GLU . 0.2 OUTLIER -60.35 -39.16 86.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.924 . . . . 1.56 108.835 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.69 -33.0 67.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.495 -0.558 . . . . 1.43 109.495 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.27 87.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.66 109.075 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.751 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.398 -0.814 . . . . 1.18 109.331 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.199 0.523 . . . . 1.61 109.828 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.479 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 19.9 m-85 -94.83 154.82 17.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.57 108.878 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.5 m-85 -139.39 -172.71 3.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.94 -1.1 . . . . 0.53 109.923 -179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.9 p -152.95 160.12 43.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.336 -0.852 . . . . 0.38 109.186 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.1 tp -149.87 131.31 14.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.206 -0.934 . . . . 0.36 109.617 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.32 127.16 34.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 1.36 109.423 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' B' ' 341' ' ' PHE . 34.3 mt -124.17 112.58 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.49 109.703 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.506 ' HD2' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.49 149.32 42.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.1 109.289 179.821 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.53 131.96 7.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.586 -1.406 . . . . 0.44 109.586 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.0 ttt180 -74.02 -65.69 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -1.14 . . . . 2.72 109.672 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.42 -39.09 82.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.82 . . . . 2.21 109.864 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -45.91 91.14 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 2.79 109.744 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.12 -55.58 29.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.316 -0.865 . . . . 0.45 109.814 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.76 -33.94 25.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.68 109.842 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.38 -50.73 70.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.235 -0.916 . . . . 0.43 109.944 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.44 ' HB2' HD13 ' B' ' 332' ' ' ILE . 18.3 m-85 -60.96 -48.59 81.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.28 109.167 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.61 -38.15 53.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.817 . . . . 2.52 109.593 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.74 -48.44 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 1.75 109.631 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' A' ' 344' ' ' LEU . 71.2 mt -61.9 -33.33 74.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.182 -0.949 . . . . 0.31 108.729 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.546 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.8 t-20 -59.89 -56.11 25.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.494 -0.754 . . . . 1.21 109.559 179.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 351' ' ' LYS . 15.6 tt0 -63.56 -30.58 71.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.868 . . . . 1.69 109.87 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.97 -55.46 32.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.27 109.939 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.75 -33.52 73.06 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.379 -0.826 . . . . 0.3 109.633 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.41 -40.12 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 1.93 109.868 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.751 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.3 tt -64.38 -49.57 71.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.316 -0.865 . . . . 0.4 109.689 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -39.16 85.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.59 108.92 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.63 -33.03 67.83 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.27 0.557 . . . . 1.43 109.601 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.43 88.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.359 -0.838 . . . . 0.65 109.191 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.583 ' NE2' HD11 ' A' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.19 109.31 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.191 0.52 . . . . 2.11 109.909 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 19.6 m-85 -94.93 154.78 17.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.195 -0.941 . . . . 0.64 108.863 179.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.6 m-85 -139.27 -172.74 3.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.078 -1.014 . . . . 0.49 109.978 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 40.8 p -152.99 160.09 42.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 0.47 109.095 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.1 tp -149.82 131.41 14.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.42 109.66 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.39 127.27 34.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 1.81 109.392 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' C' ' 341' ' ' PHE . 34.1 mt -124.12 112.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.133 -0.979 . . . . 0.42 109.689 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -73.62 149.38 42.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.29 -0.881 . . . . 2.35 109.279 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.52 131.95 7.3 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.593 -1.403 . . . . 0.41 109.593 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.8 ttt180 -73.95 -65.85 0.78 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -1.155 . . . . 2.59 109.607 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.35 -39.02 81.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 2.54 109.865 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.91 91.33 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.241 -0.912 . . . . 3.39 109.705 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.8 t80 -55.05 -55.7 28.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.387 -0.82 . . . . 0.47 109.71 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.71 -33.85 24.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.335 -0.853 . . . . 1.66 109.99 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -50.78 70.19 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.121 -0.987 . . . . 0.61 109.936 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' C' ' 332' ' ' ILE . 18.5 m-85 -60.88 -48.49 81.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 0.33 109.309 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.62 -38.19 53.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.444 -0.785 . . . . 3.28 109.589 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.75 -48.34 82.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.216 -0.928 . . . . 1.78 109.709 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' D' ' 344' ' ' LEU . 71.3 mt -61.93 -33.31 74.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.38 108.788 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.526 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.8 t-20 -59.81 -56.12 25.75 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.44 -0.788 . . . . 1.2 109.66 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.455 ' HB3' ' HE2' ' D' ' 351' ' ' LYS . 15.4 tt0 -63.58 -30.55 71.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 2.12 109.917 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.0 -55.35 33.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.287 -0.883 . . . . 0.26 109.971 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.75 -33.6 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.351 -0.843 . . . . 0.4 109.533 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -64.5 -40.06 94.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 2.09 109.713 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.685 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.3 tt -64.42 -49.61 70.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.338 -0.851 . . . . 0.75 109.681 -179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.31 86.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 2.19 108.865 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.63 -33.07 67.87 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-O 121.355 0.598 . . . . 1.34 109.538 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.36 88.58 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.72 109.128 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.644 ' NE2' HD11 ' D' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 1.8 109.323 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.318 0.58 . . . . 1.67 109.788 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.506 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 19.5 m-85 -94.92 154.87 17.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.21 -0.931 . . . . 0.61 108.958 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.6 m-85 -139.32 -172.88 3.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.56 109.925 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.8 p -152.92 160.11 43.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.43 109.208 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.1 tp -149.85 131.32 14.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.101 -1.0 . . . . 0.35 109.661 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.34 127.16 34.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.398 -0.814 . . . . 1.37 109.361 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' D' ' 341' ' ' PHE . 33.6 mt -124.05 112.58 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.182 -0.949 . . . . 0.48 109.817 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.27 42.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -0.886 . . . . 2.08 109.378 179.772 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.54 131.9 7.28 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.4 109.588 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttt180 -73.98 -65.7 0.81 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -1.069 . . . . 2.64 109.656 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.45 -39.05 82.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.873 . . . . 2.22 109.849 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.86 91.41 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.239 -0.913 . . . . 2.74 109.724 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.0 t80 -55.15 -55.64 28.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.43 109.74 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.74 -33.87 24.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 1.69 109.963 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.45 -50.62 70.75 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.217 -0.927 . . . . 0.43 109.926 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB2' HD13 ' D' ' 332' ' ' ILE . 18.2 m-85 -61.01 -48.62 80.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.27 109.146 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.49 -38.2 52.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 2.45 109.591 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.83 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 1.75 109.658 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' C' ' 344' ' ' LEU . 70.8 mt -61.9 -33.26 73.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.244 -0.91 . . . . 0.31 108.765 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.548 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.21 24.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.459 -0.775 . . . . 1.22 109.633 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -63.52 -30.59 71.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.352 -0.842 . . . . 1.73 109.895 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.98 -55.47 32.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.28 109.888 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.82 -33.37 72.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.31 109.626 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.49 -40.13 95.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.895 . . . . 1.91 109.753 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.644 HD11 ' NE2' ' C' ' 354' ' ' GLN . 1.3 tt -64.47 -49.55 70.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.336 -0.852 . . . . 0.43 109.65 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' C' ' 346' ' ' GLU . 0.2 OUTLIER -60.26 -39.27 86.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.224 -0.922 . . . . 1.57 108.891 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.53 -33.03 67.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.79 -0.569 . . . . 1.44 109.584 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.35 88.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.322 -0.862 . . . . 0.64 109.139 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.685 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.2 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.391 -0.818 . . . . 1.21 109.307 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.442 -0.577 . . . . 1.7 109.442 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -93.7 155.25 17.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.117 -0.989 . . . . 0.61 109.582 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.3 -169.95 2.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.58 109.542 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 30.3 p -153.2 157.22 39.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.42 109.432 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -148.7 133.19 17.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.36 109.602 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 23.2 tt0 -85.83 127.86 34.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 1.37 109.121 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.85 114.32 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.47 109.797 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.479 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -74.13 149.51 40.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 2.1 109.358 179.64 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.79 133.61 7.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.751 -1.34 . . . . 0.42 109.751 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.9 ttt180 -78.58 -58.21 3.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 2.68 109.582 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.72 86.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 2.22 109.629 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 2.3 ttm180 -60.63 -41.4 94.8 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.285 -0.884 . . . . 2.77 109.558 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 59.0 t80 -55.57 -56.07 24.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.324 -0.86 . . . . 0.43 109.943 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.28 -37.13 45.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 1.66 110.173 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.42 -47.77 80.56 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.177 -0.952 . . . . 0.44 110.307 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.44 64.89 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.945 . . . . 0.29 109.415 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.78 -39.63 53.02 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.436 -0.79 . . . . 2.44 109.736 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.72 -43.26 94.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 1.74 109.999 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' B' ' 344' ' ' LEU . 75.0 mt -62.19 -43.46 98.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.3 109.531 -179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.13 -48.09 81.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 1.22 109.876 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.86 -34.34 75.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 1.72 109.844 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.46 -49.07 79.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.27 110.007 -179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 55.2 mt -61.47 -41.92 97.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.29 109.731 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.79 -38.52 78.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 1.91 109.495 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.424 HD11 ' NE2' ' B' ' 354' ' ' GLN . 13.3 tp -63.79 -42.79 97.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.41 109.795 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.64 -40.06 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.387 -0.82 . . . . 1.56 109.198 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.15 -35.41 67.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.469 -0.769 . . . . 1.43 109.588 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -49.76 63.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.66 109.57 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.494 ' NE2' HD11 ' B' ' 350' ' ' LEU . 1.1 mt-30 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 1.18 109.753 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.37 -0.604 . . . . 1.61 109.37 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -93.82 155.18 17.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.57 109.498 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -139.16 -169.9 2.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.53 109.533 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 30.1 p -153.18 157.03 39.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.929 . . . . 0.38 109.416 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.53 133.22 17.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.36 109.662 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.85 127.8 34.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.862 . . . . 1.36 109.135 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.2 mt -123.86 114.36 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.49 109.768 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.6 OUTLIER -74.14 149.3 41.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 2.1 109.418 179.664 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.9 133.33 7.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.776 -1.329 . . . . 0.44 109.776 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.9 ttt180 -78.15 -58.39 3.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.334 -1.097 . . . . 2.72 109.644 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.06 -42.66 85.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.965 . . . . 2.21 109.663 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.63 -41.43 94.86 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.334 -0.854 . . . . 2.79 109.565 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.6 t80 -55.58 -56.08 24.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.41 -0.806 . . . . 0.45 109.91 -179.824 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.38 -37.08 46.26 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.377 -0.827 . . . . 1.68 110.141 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.78 80.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.255 -0.903 . . . . 0.43 110.291 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.04 -52.55 64.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 0.28 109.342 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.75 -39.71 52.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.864 . . . . 2.52 109.625 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.63 -43.33 93.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.35 -0.844 . . . . 1.75 109.97 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' A' ' 344' ' ' LEU . 75.3 mt -62.09 -43.49 98.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.31 109.567 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.12 -48.16 81.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.921 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.87 -34.24 75.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 1.69 109.84 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.46 -49.06 79.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.27 109.977 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 55.6 mt -61.51 -41.88 97.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.3 109.665 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.92 -38.43 78.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.93 109.422 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.494 HD11 ' NE2' ' A' ' 354' ' ' GLN . 13.4 tp -63.82 -42.85 97.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.4 109.725 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.13 93.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.373 -0.829 . . . . 1.59 109.14 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.06 -35.42 66.93 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.585 -0.697 . . . . 1.43 109.723 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.63 63.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.65 109.598 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.1 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.19 109.821 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.478 -0.564 . . . . 2.11 109.478 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -93.69 155.33 17.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.238 -0.914 . . . . 0.64 109.481 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.7 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.49 109.479 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 30.2 p -153.19 157.2 39.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.47 109.382 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.62 133.21 17.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.42 109.661 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 23.3 tt0 -85.82 127.76 34.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.198 -0.939 . . . . 1.81 109.236 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.82 114.24 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.42 109.804 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.6 OUTLIER -74.06 149.45 41.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.388 -0.82 . . . . 2.35 109.379 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.85 133.7 7.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.659 -1.376 . . . . 0.41 109.659 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.9 ttt180 -78.61 -58.26 3.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 2.59 109.593 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.67 86.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 2.54 109.661 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.52 -41.54 94.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.26 -0.9 . . . . 3.39 109.597 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 329' ' ' THR . 59.1 t80 -55.53 -56.02 25.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.445 -0.784 . . . . 0.47 109.952 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.41 -37.07 46.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.298 -0.876 . . . . 1.66 110.082 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -63.51 -47.7 80.62 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.112 -0.993 . . . . 0.61 110.274 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.02 -52.46 64.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.33 109.453 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.82 -39.6 53.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.317 -0.865 . . . . 3.28 109.702 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.76 -43.39 94.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.78 109.897 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' D' ' 344' ' ' LEU . 74.8 mt -62.11 -43.48 98.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.38 109.512 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.07 -48.18 80.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 1.2 109.91 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.88 -34.28 75.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 2.12 109.829 -179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.47 -48.95 79.66 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.26 110.044 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 55.7 mt -61.6 -41.85 98.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -0.857 . . . . 0.4 109.692 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.83 -38.42 78.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.27 -0.894 . . . . 2.09 109.533 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 13.4 tp -63.9 -42.85 97.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.21 -0.931 . . . . 0.75 109.699 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.03 93.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.858 . . . . 2.19 109.212 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.375 -0.828 . . . . 1.34 109.754 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.63 63.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 0.72 109.632 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.516 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.1 mt-30 . . . . . 0 N--CA 1.488 1.471 0 O-C-N 121.238 -0.914 . . . . 1.8 109.739 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.394 -0.595 . . . . 1.67 109.394 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -93.85 155.24 17.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.462 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.56 109.548 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 30.2 p -153.14 156.94 39.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 0.43 109.501 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.43 133.22 17.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.371 -0.831 . . . . 0.35 109.681 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.79 127.75 34.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 1.37 109.184 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.8 mt -123.69 114.38 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 0.48 109.844 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.6 OUTLIER -74.27 149.42 40.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.333 -0.855 . . . . 2.08 109.304 179.733 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.8 133.65 7.54 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.753 -1.339 . . . . 0.4 109.753 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.9 ttt180 -78.5 -58.27 3.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -1.159 . . . . 2.64 109.624 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.18 -42.58 86.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.862 . . . . 2.22 109.625 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.7 -41.52 95.36 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.291 -0.88 . . . . 2.74 109.522 -179.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.8 t80 -55.51 -56.05 24.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.409 -0.807 . . . . 0.43 109.977 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.31 -37.17 46.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.304 -0.873 . . . . 1.69 110.078 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.68 80.86 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.141 -0.975 . . . . 0.43 110.279 -179.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.47 64.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.944 . . . . 0.27 109.417 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -50.7 -39.72 52.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 2.45 109.707 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.74 -43.25 94.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 1.75 109.991 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' C' ' 344' ' ' LEU . 75.0 mt -62.14 -43.47 98.76 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.31 109.541 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -58.18 -48.07 81.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 1.22 109.948 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.81 -34.38 75.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.941 . . . . 1.73 109.821 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.47 -49.02 79.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 0.28 109.935 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.58 -41.9 98.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.31 109.611 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.75 -38.55 78.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 1.91 109.501 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.516 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -63.8 -42.76 97.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.315 -0.866 . . . . 0.43 109.722 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 11.9 ttmm -61.75 -39.96 93.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -0.829 . . . . 1.57 109.105 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.16 -35.55 67.3 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.52 -0.737 . . . . 1.44 109.587 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.63 63.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 0.64 109.687 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 1.21 109.73 -179.867 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.3 0.572 . . . . 1.7 109.561 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -95.37 161.22 14.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.287 -0.883 . . . . 0.61 109.457 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.04 -168.72 2.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 0.58 109.709 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.3 p -152.16 160.55 43.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.42 109.411 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.6 tp -148.72 129.87 14.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.36 109.438 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 41.9 tt0 -86.41 129.64 34.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.37 109.348 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 341' ' ' PHE . 49.3 mt -123.76 116.68 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.47 109.43 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 148.87 43.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.231 -0.918 . . . . 2.1 109.595 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 133.53 5.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.601 -1.399 . . . . 0.42 109.601 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 49.3 ttt180 -79.27 -52.34 8.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.309 -1.112 . . . . 2.68 109.496 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 2.22 109.672 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.762 HH12 HD22 ' C' ' 348' ' ' LEU . 8.7 tpp180 -62.46 -44.04 97.36 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.216 -0.928 . . . . 2.77 109.341 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.2 -48.86 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.362 -0.836 . . . . 0.43 109.51 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.25 42.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -0.852 . . . . 1.66 109.653 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.481 ' SD ' ' CG ' ' D' ' 340' ' ' MET . 14.3 ttp -61.86 -47.41 85.14 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.178 -0.951 . . . . 0.44 109.826 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.472 ' CD2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -61.41 -50.96 70.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 0.29 109.308 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.28 -36.53 42.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.414 -0.804 . . . . 2.44 109.716 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.2 -51.04 71.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.16 -0.962 . . . . 1.74 109.776 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' B' ' 344' ' ' LEU . 21.3 mt -61.06 -32.97 72.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.3 108.947 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.6 t-20 -60.4 -53.09 61.75 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.393 -0.817 . . . . 1.22 109.76 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.15 -36.85 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.377 -0.827 . . . . 1.72 110.157 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.79 -53.36 58.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.27 110.218 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.812 HD22 HH12 ' C' ' 337' ' ' ARG . 66.4 mt -60.77 -40.74 93.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.29 109.82 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.06 -35.42 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.288 -0.883 . . . . 1.91 109.83 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.593 HD21 ' NE2' ' B' ' 354' ' ' GLN . 13.1 tp -64.02 -45.95 86.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 0.41 109.677 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.53 -48.13 80.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 1.56 109.272 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -31.33 65.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.474 -0.766 . . . . 1.43 109.536 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.75 80.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 0.66 109.627 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.694 ' NE2' HD21 ' B' ' 350' ' ' LEU . 62.3 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.97 . . . . 1.18 109.614 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.271 0.558 . . . . 1.61 109.664 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.25 161.3 14.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.57 109.47 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.3 m-85 -140.11 -168.76 2.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.53 109.606 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.4 p -152.22 160.35 43.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.332 -0.855 . . . . 0.38 109.472 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.6 tp -148.54 129.86 14.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.36 109.518 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.39 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.829 . . . . 1.36 109.348 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' B' ' 341' ' ' PHE . 49.1 mt -123.82 116.7 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.49 109.44 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 148.93 42.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.873 . . . . 2.1 109.62 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.33 133.5 5.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.664 -1.374 . . . . 0.44 109.664 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 49.1 ttt180 -79.19 -52.5 8.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -1.141 . . . . 2.72 109.424 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.08 -44.06 91.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.319 -0.863 . . . . 2.21 109.739 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 8.7 tpp180 -62.41 -44.05 97.37 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.273 -0.892 . . . . 2.79 109.381 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.28 -48.79 73.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.373 -0.829 . . . . 0.45 109.527 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -51.39 -36.21 42.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 1.68 109.68 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -61.95 -47.34 85.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.43 109.86 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -61.32 -51.03 70.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.216 -0.927 . . . . 0.28 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.25 -36.63 42.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 2.52 109.664 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -60.13 -51.16 70.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.095 -1.003 . . . . 1.75 109.711 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 344' ' ' LEU . 21.2 mt -60.99 -32.84 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 0.31 108.99 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.415 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -60.57 -53.03 62.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.478 -0.764 . . . . 1.21 109.772 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.0 -36.99 85.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 1.69 110.178 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.73 -53.45 57.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.27 110.175 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.774 HD22 HH12 ' D' ' 337' ' ' ARG . 66.1 mt -60.75 -40.73 93.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.3 109.778 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -61.06 -35.51 77.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.206 -0.934 . . . . 1.93 109.772 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.694 HD21 ' NE2' ' A' ' 354' ' ' GLN . 13.1 tp -63.91 -46.02 86.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.264 -0.898 . . . . 0.4 109.68 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.52 -48.21 80.56 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 1.59 109.231 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -31.19 65.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.605 -0.684 . . . . 1.43 109.541 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.71 80.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.65 109.686 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.593 ' NE2' HD21 ' A' ' 350' ' ' LEU . 62.2 mt-30 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.249 -0.907 . . . . 1.19 109.643 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.308 0.575 . . . . 2.11 109.617 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -95.33 161.31 14.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.322 -0.861 . . . . 0.64 109.339 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.9 m-85 -140.13 -168.74 2.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 0.49 109.618 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 9.2 p -152.23 160.6 43.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.47 109.363 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.5 tp -148.71 129.83 14.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.42 129.57 34.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.81 109.383 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' C' ' 341' ' ' PHE . 49.7 mt -123.72 116.73 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.226 -0.921 . . . . 0.42 109.337 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 148.89 43.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 2.35 109.557 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.44 133.49 5.87 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.601 -1.4 . . . . 0.41 109.601 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 49.2 ttt180 -79.22 -52.4 8.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -1.146 . . . . 2.59 109.494 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.06 -44.13 91.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.405 -0.81 . . . . 2.54 109.64 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.812 HH12 HD22 ' A' ' 348' ' ' LEU . 8.8 tpp180 -62.36 -44.11 97.23 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.855 . . . . 3.39 109.317 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.7 t80 -55.16 -48.89 73.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -0.829 . . . . 0.47 109.516 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.53 -36.01 43.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.413 -0.804 . . . . 1.66 109.697 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.07 -47.28 85.38 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.206 -0.934 . . . . 0.61 109.79 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.43 -51.01 70.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.168 -0.957 . . . . 0.33 109.249 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.19 -36.62 42.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.306 -0.871 . . . . 3.28 109.766 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.19 -51.07 71.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 1.78 109.73 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' D' ' 344' ' ' LEU . 21.5 mt -61.11 -32.83 72.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.38 108.898 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -60.62 -52.92 63.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.435 -0.791 . . . . 1.2 109.722 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.21 -36.86 85.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.826 . . . . 2.12 110.176 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.82 -53.42 58.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.26 110.139 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.762 HD22 HH12 ' A' ' 337' ' ' ARG . 66.4 mt -60.69 -40.8 93.53 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.208 -0.932 . . . . 0.4 109.748 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.04 -35.44 76.89 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.251 -0.906 . . . . 2.09 109.905 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.668 HD21 ' NE2' ' D' ' 354' ' ' GLN . 13.1 tp -63.97 -45.97 86.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.173 -0.954 . . . . 0.75 109.735 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 18.1 ttmm -62.46 -48.28 80.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 2.19 109.156 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -31.21 65.08 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.515 -0.741 . . . . 1.34 109.478 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.67 80.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.72 109.636 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.674 HE22 HD11 ' D' ' 350' ' ' LEU . 62.1 mt-30 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.16 -0.962 . . . . 1.8 109.643 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.236 0.541 . . . . 1.67 109.587 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.3 161.27 14.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.89 . . . . 0.61 109.381 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.7 m-85 -140.06 -168.66 2.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.221 -0.924 . . . . 0.56 109.662 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 9.6 p -152.33 160.45 43.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.43 109.468 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.7 tp -148.55 129.88 14.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.35 109.41 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.34 129.66 34.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.905 . . . . 1.37 109.282 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' D' ' 341' ' ' PHE . 48.5 mt -123.78 116.62 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 0.48 109.475 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 148.91 43.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.08 109.567 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.34 133.55 5.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.731 -1.348 . . . . 0.4 109.731 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 49.1 ttt180 -79.26 -52.44 8.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -1.108 . . . . 2.64 109.417 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.03 -44.14 91.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 2.22 109.708 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.774 HH12 HD22 ' B' ' 348' ' ' LEU . 8.7 tpp180 -62.36 -44.16 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 2.74 109.324 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.3 t80 -55.23 -48.73 73.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.43 109.597 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.19 42.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 1.69 109.701 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.481 ' CG ' ' SD ' ' A' ' 340' ' ' MET . 14.3 ttp -62.06 -47.29 85.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.223 -0.923 . . . . 0.43 109.867 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.34 -50.96 70.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.847 . . . . 0.27 109.377 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.24 -36.66 42.95 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.367 -0.833 . . . . 2.45 109.664 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.23 -50.99 71.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 1.75 109.715 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' C' ' 344' ' ' LEU . 21.3 mt -61.15 -32.79 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.221 -0.924 . . . . 0.31 108.968 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.7 t-20 -60.49 -53.12 61.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.41 -0.806 . . . . 1.22 109.765 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 38.1 mt-10 -63.04 -36.96 85.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 1.73 110.109 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.8 -53.43 58.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.008 . . . . 0.28 110.112 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 66.8 mt -60.78 -40.73 93.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 0.31 109.692 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.14 -35.39 76.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 1.91 109.821 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.674 HD11 HE22 ' C' ' 354' ' ' GLN . 13.1 tp -63.97 -45.95 86.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.184 -0.947 . . . . 0.43 109.725 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.62 -48.19 80.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 1.57 109.14 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -31.27 65.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.546 -0.721 . . . . 1.44 109.501 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -35.67 80.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.32 -0.863 . . . . 0.64 109.674 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.668 ' NE2' HD21 ' C' ' 350' ' ' LEU . 62.2 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.184 -0.947 . . . . 1.21 109.586 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.289 -0.634 . . . . 1.7 109.289 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -92.59 153.43 19.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.574 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.7 m-85 -137.76 -163.39 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.58 109.262 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 328' ' ' PHE . 20.0 p -154.98 156.61 36.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.42 109.672 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.9 tp -147.36 129.76 15.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.304 -0.872 . . . . 0.36 109.299 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.43 134.78 33.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.37 109.753 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.64 115.47 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.47 109.332 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 147.34 43.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 2.1 109.76 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 91.88 136.88 7.41 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.737 -1.345 . . . . 0.42 109.737 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.7 ttm180 -73.59 -53.14 11.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -1.104 . . . . 2.68 109.389 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.93 -42.13 84.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 2.22 109.172 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.36 -46.97 82.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.409 -0.807 . . . . 2.77 109.755 -179.841 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.601 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.7 t80 -55.41 -55.79 27.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.46 -0.775 . . . . 0.43 109.747 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -50.85 -36.51 38.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 1.66 110.002 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.4 -51.79 64.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.181 -0.949 . . . . 0.44 110.393 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.4 m-85 -60.76 -53.4 57.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.109 -0.994 . . . . 0.29 109.436 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.466 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.3 OUTLIER -50.16 -34.77 23.58 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.422 -0.799 . . . . 2.44 109.835 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -50.89 71.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.946 -1.096 . . . . 1.74 109.758 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' B' ' 344' ' ' LEU . 62.8 mt -61.64 -33.6 74.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.231 -0.918 . . . . 0.3 109.039 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.571 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.8 t-20 -60.49 -54.59 43.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.388 -0.82 . . . . 1.22 109.908 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -63.82 -33.32 75.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.344 -0.847 . . . . 1.72 110.089 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -54.11 49.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.27 109.838 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.21 -41.6 97.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.29 109.423 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.6 -33.01 72.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 1.91 109.383 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.788 HD11 HE22 ' B' ' 354' ' ' GLN . 14.0 tp -64.7 -46.11 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.41 109.45 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.476 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 6.3 ttmm -61.55 -44.28 97.33 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.34 -0.85 . . . . 1.56 108.956 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.95 -32.5 66.08 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 1.43 109.561 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -47.6 71.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.323 -0.861 . . . . 0.66 109.507 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.563 HE22 HD11 ' B' ' 350' ' ' LEU . 12.5 mt-30 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.371 -0.83 . . . . 1.18 109.576 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.309 -0.626 . . . . 1.61 109.309 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.21 153.52 19.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.57 109.635 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.0 m-85 -137.78 -163.35 1.43 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.249 -0.907 . . . . 0.53 109.231 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.442 HG23 ' O ' ' B' ' 328' ' ' PHE . 20.3 p -154.91 156.58 36.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.97 . . . . 0.38 109.73 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.8 tp -147.33 129.74 15.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.882 . . . . 0.36 109.312 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.27 134.84 33.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 1.36 109.802 -179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.696 HD13 ' HB2' ' B' ' 341' ' ' PHE . 30.0 mt -123.71 115.57 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.49 109.346 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 147.34 43.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.774 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 91.95 136.79 7.4 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.769 -1.333 . . . . 0.44 109.769 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttm180 -73.63 -53.01 11.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 2.72 109.407 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -42.0 84.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 2.21 109.108 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.46 -46.94 83.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.519 -0.738 . . . . 2.79 109.832 -179.785 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.597 ' HD1' HD12 ' B' ' 332' ' ' ILE . 40.5 t80 -55.37 -55.76 27.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.356 -0.84 . . . . 0.45 109.828 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.73 -36.54 36.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 1.68 110.095 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.52 -51.71 64.33 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.43 110.386 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.696 ' HB2' HD13 ' B' ' 332' ' ' ILE . 26.3 m-85 -60.82 -53.32 58.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.074 -1.016 . . . . 0.28 109.408 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.457 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.3 OUTLIER -50.22 -34.8 24.14 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.493 -0.754 . . . . 2.52 109.841 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.95 70.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.089 -1.007 . . . . 1.75 109.73 -179.647 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 344' ' ' LEU . 62.5 mt -61.47 -33.75 74.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.903 . . . . 0.31 109.024 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.9 t-20 -60.4 -54.56 44.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.443 -0.786 . . . . 1.21 110.001 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.476 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 34.1 mm-40 -63.89 -33.42 75.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 1.69 110.081 -179.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.0 -53.99 50.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.27 109.852 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.403 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 16.2 mt -61.2 -41.74 97.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.329 -0.857 . . . . 0.3 109.388 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.41 -33.05 71.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.201 -0.937 . . . . 1.93 109.452 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.563 HD11 HE22 ' A' ' 354' ' ' GLN . 14.0 tp -64.8 -46.08 83.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.4 109.391 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.4 -44.39 97.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.376 -0.827 . . . . 1.59 108.97 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.52 65.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.68 -0.638 . . . . 1.43 109.578 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.63 71.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.406 -0.809 . . . . 0.65 109.499 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.788 HE22 HD11 ' A' ' 350' ' ' LEU . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 1.19 109.608 179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.313 -0.625 . . . . 2.11 109.313 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -92.54 153.5 19.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.64 109.549 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.0 m-85 -137.77 -163.38 1.43 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.49 109.247 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.459 HG23 ' O ' ' C' ' 328' ' ' PHE . 20.4 p -154.93 156.65 36.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.47 109.66 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.0 tp -147.38 129.87 15.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.42 109.253 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.44 134.77 33.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 1.81 109.746 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.63 115.6 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.314 -0.866 . . . . 0.42 109.34 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.86 147.25 43.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 2.35 109.717 -179.807 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 91.89 136.85 7.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.824 -1.31 . . . . 0.41 109.824 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 21.8 ttm180 -73.59 -53.07 11.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.196 . . . . 2.59 109.374 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.02 -41.99 84.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.54 109.182 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.482 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.45 -46.99 82.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 3.39 109.738 -179.802 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.615 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.5 t80 -55.34 -55.78 27.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.47 109.751 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.88 -36.52 38.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 1.66 109.974 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.33 -51.82 64.41 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.091 -1.006 . . . . 0.61 110.38 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.5 m-85 -60.84 -53.28 59.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.103 -0.998 . . . . 0.33 109.385 -179.569 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.451 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.31 -34.72 24.6 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.4 -0.813 . . . . 3.28 109.88 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -50.96 70.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.027 -1.046 . . . . 1.78 109.78 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' D' ' 344' ' ' LEU . 62.4 mt -61.49 -33.71 74.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.248 -0.908 . . . . 0.38 109.097 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.559 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.8 t-20 -60.41 -54.62 43.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.455 -0.778 . . . . 1.2 109.941 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.444 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 34.0 mm-40 -63.79 -33.41 75.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 2.12 110.07 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -54.06 49.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.26 109.745 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.07 -41.76 97.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.311 -0.868 . . . . 0.4 109.511 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.53 -32.95 71.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.89 . . . . 2.09 109.457 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.541 HD11 HE22 ' D' ' 354' ' ' GLN . 14.0 tp -64.78 -46.03 83.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.75 109.457 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.58 -44.2 97.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.416 -0.802 . . . . 2.19 108.947 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.97 -32.59 66.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.539 -0.726 . . . . 1.34 109.512 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -47.82 71.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.72 109.489 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.736 HE22 HD11 ' D' ' 350' ' ' LEU . 12.5 mt-30 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 1.8 109.622 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.286 -0.635 . . . . 1.67 109.286 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -92.43 153.49 19.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 0.61 109.57 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.9 m-85 -137.82 -163.31 1.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.56 109.305 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.458 HG23 ' O ' ' D' ' 328' ' ' PHE . 20.2 p -154.9 156.81 36.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.43 109.615 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.0 tp -147.56 129.73 15.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.35 109.318 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.35 134.96 33.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -0.872 . . . . 1.37 109.73 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' D' ' 341' ' ' PHE . 30.7 mt -123.85 115.65 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.48 109.29 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.76 147.38 43.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 2.08 109.746 -179.814 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 91.79 136.93 7.39 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.752 -1.339 . . . . 0.4 109.752 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 21.6 ttm180 -73.55 -53.17 11.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -1.149 . . . . 2.64 109.374 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -41.92 84.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 2.22 109.248 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.42 -46.96 82.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.469 -0.77 . . . . 2.74 109.732 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.617 ' HD1' HD12 ' D' ' 332' ' ' ILE . 40.7 t80 -55.46 -55.69 28.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.513 -0.742 . . . . 0.43 109.825 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.77 -36.59 37.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 1.69 110.068 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.43 -51.65 64.82 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.12 -0.987 . . . . 0.43 110.369 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.698 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.5 m-85 -60.86 -53.35 58.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.27 109.412 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.15 -34.86 23.71 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.429 -0.795 . . . . 2.45 109.841 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.97 70.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.039 . . . . 1.75 109.672 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' C' ' 344' ' ' LEU . 62.9 mt -61.49 -33.7 74.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.215 -0.928 . . . . 0.31 109.038 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.558 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.8 t-20 -60.54 -54.54 44.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.466 -0.771 . . . . 1.22 109.898 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.88 -33.3 75.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.73 110.049 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.18 48.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.28 109.757 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.1 -41.59 96.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.378 -0.826 . . . . 0.31 109.473 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.7 -32.91 72.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.91 109.445 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.736 HD11 HE22 ' C' ' 354' ' ' GLN . 14.0 tp -64.8 -46.12 83.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.883 . . . . 0.43 109.376 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 6.3 ttmm -61.48 -44.33 97.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.449 -0.782 . . . . 1.57 108.943 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.583 -0.698 . . . . 1.44 109.528 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.336 -0.852 . . . . 0.64 109.43 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.541 HE22 HD11 ' C' ' 350' ' ' LEU . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.233 -0.917 . . . . 1.21 109.587 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.443 -0.577 . . . . 1.7 109.443 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.78 158.64 15.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.61 109.584 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 77.6 m-85 -138.65 -167.0 2.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.58 109.641 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 1.6 p -153.57 157.75 40.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.168 -0.957 . . . . 0.42 109.564 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.9 tp -149.26 131.62 15.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 0.36 109.485 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.8 tt0 -86.58 131.49 34.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 1.37 109.4 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.6 mt -123.92 119.29 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 0.47 109.57 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.43 148.82 42.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.314 -0.866 . . . . 2.1 109.498 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.41 136.01 6.34 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -80.76 -51.5 8.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -1.156 . . . . 2.68 109.496 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.26 -47.7 82.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 2.22 109.438 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.7 -42.58 97.47 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.29 -0.881 . . . . 2.77 109.558 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.7 t80 -54.49 -57.24 12.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.433 -0.792 . . . . 0.43 109.544 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.49 -34.6 36.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 1.66 109.631 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.59 -49.28 73.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.197 -0.939 . . . . 0.44 110.098 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -60.99 -52.56 64.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.163 -0.96 . . . . 0.29 109.258 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.48 -39.86 49.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.44 109.704 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.43 -43.84 98.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.942 . . . . 1.74 110.014 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 344' ' ' LEU . 38.0 mt -61.64 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 0.3 109.397 -179.749 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.81 -49.62 76.03 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.374 -0.829 . . . . 1.22 109.685 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.477 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.72 110.01 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.84 -53.59 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.106 -0.996 . . . . 0.27 109.986 -179.53 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.478 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 30.0 mt -60.89 -42.66 98.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 0.29 109.635 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.2 -34.26 73.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 1.91 109.614 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.51 -45.97 84.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.41 109.409 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.06 -43.99 97.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.542 -0.724 . . . . 1.56 109.188 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -37.63 73.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.514 -0.741 . . . . 1.43 109.741 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.05 67.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.66 109.522 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.18 109.384 -179.893 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.451 -0.574 . . . . 1.61 109.451 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -93.66 158.64 15.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.57 109.633 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.1 m-85 -138.61 -167.01 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.917 . . . . 0.53 109.546 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.6 p -153.59 157.7 40.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -0.989 . . . . 0.38 109.543 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.0 tp -149.27 131.61 15.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 0.36 109.399 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.7 tt0 -86.68 131.56 34.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 1.36 109.385 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.54 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.5 mt -123.85 119.3 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.49 109.575 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.47 148.61 43.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.243 -0.911 . . . . 2.1 109.53 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.67 136.02 6.47 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.67 -1.372 . . . . 0.44 109.67 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.58 8.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -1.082 . . . . 2.72 109.538 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -47.78 82.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 2.21 109.458 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.61 -42.67 97.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.317 -0.865 . . . . 2.79 109.541 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.54 ' HD1' HD12 ' B' ' 332' ' ' ILE . 44.8 t80 -54.53 -57.2 12.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.429 -0.794 . . . . 0.45 109.517 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -51.35 -34.65 34.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.68 109.742 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.57 -49.35 73.74 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.252 -0.905 . . . . 0.43 110.092 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -60.92 -52.6 64.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.28 109.244 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.54 -39.95 50.52 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.359 -0.838 . . . . 2.52 109.539 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.33 -43.91 98.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.127 -0.983 . . . . 1.75 109.981 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' A' ' 344' ' ' LEU . 38.7 mt -61.57 -43.34 99.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.31 109.456 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.9 -49.56 76.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.367 -0.833 . . . . 1.21 109.655 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.345 -0.847 . . . . 1.69 110.029 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.8 -53.58 55.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.27 110.049 -179.568 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.96 -42.72 98.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.3 109.579 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.1 -34.22 73.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 1.93 109.651 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.0 tt -64.62 -45.91 84.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.85 . . . . 0.4 109.487 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.9 97.86 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.434 -0.791 . . . . 1.59 109.189 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -37.66 73.24 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.452 -0.78 . . . . 1.43 109.688 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.06 67.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.65 109.495 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.19 109.468 -179.95 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.519 -0.548 . . . . 2.11 109.519 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -93.7 158.69 15.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.64 109.506 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.3 m-85 -138.67 -167.02 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.908 . . . . 0.49 109.586 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 1.6 p -153.66 157.63 39.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.228 -0.92 . . . . 0.47 109.487 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -149.16 131.65 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.42 109.474 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.52 131.5 34.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.928 . . . . 1.81 109.365 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.533 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.7 mt -123.95 119.34 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.935 . . . . 0.42 109.583 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 148.69 42.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.151 -0.968 . . . . 2.35 109.487 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.53 136.09 6.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.76 -1.336 . . . . 0.41 109.76 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -80.7 -51.69 8.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.294 -1.121 . . . . 2.59 109.539 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.13 -47.66 82.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.291 -0.88 . . . . 2.54 109.509 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.478 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttm180 -60.78 -42.55 97.75 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.313 -0.867 . . . . 3.39 109.602 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' C' ' 332' ' ' ILE . 44.4 t80 -54.68 -57.15 12.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.355 -0.84 . . . . 0.47 109.465 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.39 -34.6 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -0.909 . . . . 1.66 109.695 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.63 -49.25 74.0 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.351 -0.843 . . . . 0.61 110.095 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.4 m-85 -61.01 -52.61 64.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.33 109.226 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.39 -39.97 48.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -0.764 . . . . 3.28 109.667 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.47 -43.7 98.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.78 110.033 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' D' ' 344' ' ' LEU . 38.1 mt -61.68 -43.36 99.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.38 109.407 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.87 -49.58 76.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 1.2 109.674 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.8 -31.98 73.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 2.12 110.068 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -53.67 54.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.151 -0.968 . . . . 0.26 110.007 -179.555 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.82 -42.79 98.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.4 109.559 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.18 -34.24 73.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 2.09 109.612 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.707 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.0 tt -64.6 -45.94 84.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.915 . . . . 0.75 109.43 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.99 97.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.533 -0.729 . . . . 2.19 109.179 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -37.57 73.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.548 -0.72 . . . . 1.34 109.734 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -26.96 66.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.72 109.55 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.194 -0.942 . . . . 1.8 109.589 179.957 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.46 -0.571 . . . . 1.67 109.46 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.64 158.69 15.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.174 -0.954 . . . . 0.61 109.569 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.2 m-85 -138.64 -167.03 2.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.56 109.653 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.6 p -153.57 157.71 40.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.935 . . . . 0.43 109.58 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.9 tp -149.21 131.6 15.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.35 109.435 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.7 tt0 -86.61 131.5 34.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.915 . . . . 1.37 109.409 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.532 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.7 mt -123.89 119.35 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -0.928 . . . . 0.48 109.552 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.46 148.67 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.08 109.579 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.56 136.05 6.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.762 -1.335 . . . . 0.4 109.762 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.67 8.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -1.182 . . . . 2.64 109.494 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.18 -47.66 82.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 2.22 109.457 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.76 -42.53 97.64 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.376 -0.828 . . . . 2.74 109.572 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.532 ' HD1' HD12 ' D' ' 332' ' ' ILE . 44.5 t80 -54.59 -57.18 12.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.43 109.495 -179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.37 -34.63 35.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 1.69 109.781 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.63 -49.35 73.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.19 -0.944 . . . . 0.43 110.079 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.6 m-85 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.222 -0.924 . . . . 0.27 109.189 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.36 -40.06 48.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.404 -0.81 . . . . 2.45 109.638 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.35 -43.88 98.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.75 110.023 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' C' ' 344' ' ' LEU . 38.5 mt -61.56 -43.35 99.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.31 109.501 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.92 -49.47 76.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 1.22 109.648 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -32.05 73.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.297 -0.877 . . . . 1.73 109.972 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.7 -53.71 54.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.28 110.006 -179.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.88 -42.62 98.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.31 109.61 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.33 -34.1 73.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 1.91 109.562 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.0 tt -64.7 -45.84 84.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.43 109.415 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.18 -43.86 97.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.461 -0.774 . . . . 1.57 109.163 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -37.66 73.36 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.596 -0.69 . . . . 1.44 109.581 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.12 67.11 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.64 109.495 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.239 -0.913 . . . . 1.21 109.595 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.28 0.562 . . . . 1.7 109.552 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.0 m-85 -93.33 156.86 16.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.94 . . . . 0.61 109.394 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.7 m-85 -139.47 -169.84 2.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.58 109.584 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 73.7 p -153.55 158.56 41.42 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.877 . . . . 0.42 109.442 -179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' C' ' 329' ' ' THR . 18.7 tp -149.52 133.91 17.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 0.36 109.601 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.92 126.58 34.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.883 . . . . 1.37 109.224 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.1 mt -123.71 111.05 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.141 -0.974 . . . . 0.47 109.62 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.3 40.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.29 -0.881 . . . . 2.1 109.456 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.21 130.0 6.63 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.97 1.33 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -1.096 . . . . 2.68 109.504 179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.64 87.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.384 -0.823 . . . . 2.22 109.669 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 3.3 ttt180 -60.53 -43.52 97.08 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.257 -0.902 . . . . 2.77 109.667 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 36.1 t80 -55.07 -56.31 21.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.43 109.633 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -51.15 -33.05 25.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 1.66 109.868 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.15 -50.04 71.96 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.178 -0.951 . . . . 0.44 110.04 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.4 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.8 m-85 -61.23 -47.6 85.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.938 . . . . 0.29 109.171 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.06 -42.24 62.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.381 -0.824 . . . . 2.44 109.854 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.57 -40.96 93.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 1.74 110.025 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 344' ' ' LEU . 85.6 mt -62.36 -46.0 90.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.908 . . . . 0.3 109.484 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -58.19 -47.13 84.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.894 . . . . 1.22 109.831 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -33.98 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.305 -0.872 . . . . 1.72 109.935 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.35 -51.89 67.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.27 110.076 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.32 -41.83 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.846 . . . . 0.29 109.72 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.67 -37.29 78.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 1.91 109.783 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.9 tp -64.31 -45.25 88.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.41 109.659 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.54 -36.57 80.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.56 108.951 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -56.52 -36.36 69.12 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.409 -0.807 . . . . 1.43 109.465 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.09 87.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.386 -0.821 . . . . 0.66 109.475 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 1.18 109.588 179.942 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.476 -0.565 . . . . 1.61 109.476 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.0 m-85 -93.43 156.76 16.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 0.57 109.367 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.53 109.525 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.9 p -153.41 158.43 41.43 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.38 109.536 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.0 tp -149.41 134.01 17.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.36 109.532 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.88 126.52 34.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.36 109.166 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' B' ' 341' ' ' PHE . 49.9 mt -123.67 110.95 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.119 -0.988 . . . . 0.49 109.71 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.35 152.19 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.226 -0.922 . . . . 2.1 109.452 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.29 130.03 6.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.807 -1.317 . . . . 0.44 109.807 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.98 1.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -1.132 . . . . 2.72 109.504 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.73 87.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.456 -0.778 . . . . 2.21 109.694 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.43 -43.62 96.6 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.261 -0.899 . . . . 2.79 109.69 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 35.8 t80 -55.09 -56.14 23.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.45 109.734 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.33 -32.9 26.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.333 -0.855 . . . . 1.68 109.904 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.26 -49.95 72.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.161 -0.962 . . . . 0.43 110.096 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.401 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.0 m-85 -61.18 -47.68 85.06 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.097 -1.002 . . . . 0.28 109.213 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.03 -42.18 62.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 2.52 109.891 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -60.58 -41.04 93.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.096 -1.002 . . . . 1.75 109.959 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -46.01 90.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.31 109.588 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -58.17 -47.23 84.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.872 . . . . 1.21 109.803 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -34.04 75.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.834 . . . . 1.69 110.031 -179.663 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.29 -51.93 67.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.27 110.129 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.14 -42.02 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.854 . . . . 0.3 109.719 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.58 -37.28 78.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.93 109.758 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 15.8 tp -64.3 -45.31 88.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.4 109.62 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.43 -36.71 81.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.59 108.866 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.43 -36.33 68.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.523 -0.735 . . . . 1.43 109.503 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.19 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.65 109.407 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.19 109.573 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.282 0.563 . . . . 2.11 109.587 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.35 156.82 16.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.64 109.401 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -139.42 -169.92 2.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.199 -0.938 . . . . 0.49 109.488 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 74.7 p -153.51 158.49 41.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.219 -0.926 . . . . 0.47 109.549 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.0 tp -149.59 133.93 17.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.347 -0.845 . . . . 0.42 109.497 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.75 126.54 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 1.81 109.241 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.68 111.08 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.143 -0.973 . . . . 0.42 109.679 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.17 40.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.323 -0.861 . . . . 2.35 109.453 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.37 130.02 6.66 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.754 -1.338 . . . . 0.41 109.754 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 16.2 ttm180 -74.3 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.347 -1.09 . . . . 2.59 109.428 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -41.62 87.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.406 -0.809 . . . . 2.54 109.736 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.58 -43.59 97.18 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.281 -0.887 . . . . 3.39 109.649 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -55.15 -56.17 22.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.47 109.644 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -51.34 -32.87 27.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 1.66 109.87 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.24 -50.01 71.89 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.205 -0.934 . . . . 0.61 110.069 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.17 -47.67 85.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.33 109.157 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.08 -42.22 63.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.395 -0.815 . . . . 3.28 109.811 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.53 -41.02 93.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 1.78 110.042 -179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 344' ' ' LEU . 85.7 mt -62.36 -45.91 91.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.38 109.56 -179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -58.23 -47.13 84.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.2 109.742 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -33.96 75.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.865 . . . . 2.12 109.914 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -52.04 66.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.933 . . . . 0.26 110.04 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.439 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 35.7 mt -61.11 -42.07 97.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.4 109.704 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.5 -37.31 77.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 2.09 109.808 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 15.8 tp -64.2 -45.43 88.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.75 109.612 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -61.42 -36.63 80.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 2.19 108.92 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.41 -36.37 68.84 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.585 -0.697 . . . . 1.34 109.481 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.28 87.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.72 109.451 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.328 -0.858 . . . . 1.8 109.556 -179.942 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.581 -0.526 . . . . 1.67 109.581 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.31 156.75 16.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.61 109.497 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.95 2.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.56 109.618 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.5 p -153.45 158.5 41.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.43 109.51 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.1 tp -149.49 134.0 17.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.35 109.547 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.87 126.51 34.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 1.37 109.187 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -123.7 111.04 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.48 109.66 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.46 152.08 40.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.938 . . . . 2.08 109.41 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.38 130.11 6.69 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.709 -1.357 . . . . 0.4 109.709 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 16.2 ttm180 -74.39 -62.84 1.38 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -1.145 . . . . 2.64 109.468 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -41.66 87.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 2.22 109.75 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.49 -43.5 96.92 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.126 -0.984 . . . . 2.74 109.77 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 36.0 t80 -55.07 -56.16 22.91 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.295 -0.878 . . . . 0.43 109.737 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.41 -32.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.69 109.896 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.3 -50.05 71.59 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.163 -0.96 . . . . 0.43 109.992 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.06 -47.68 85.23 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.251 -0.905 . . . . 0.27 109.266 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.1 -42.17 63.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 2.45 109.885 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -60.6 -40.97 93.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.154 -0.967 . . . . 1.75 109.961 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.42 -45.85 91.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.31 109.588 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.25 -47.09 84.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.22 109.802 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -33.95 75.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.875 . . . . 1.73 110.003 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.25 -52.04 66.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.276 -0.89 . . . . 0.28 110.131 -179.722 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.13 -42.05 97.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.31 109.681 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.58 -37.23 77.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.91 109.807 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.54 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 15.9 tp -64.24 -45.44 88.14 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.43 109.63 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.35 -36.69 80.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.878 . . . . 1.57 108.963 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -56.41 -36.29 68.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.578 -0.701 . . . . 1.44 109.521 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.19 87.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.64 109.481 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 1.21 109.632 179.948 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.341 -0.614 . . . . 1.7 109.341 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.5 m-85 -93.06 153.68 18.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.134 -0.979 . . . . 0.61 109.596 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.4 m-85 -139.32 -172.03 3.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.58 109.597 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -153.15 160.16 42.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 0.42 109.388 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.95 131.34 16.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.905 . . . . 0.36 109.52 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.23 132.3 34.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 1.37 109.383 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' HD1' ' A' ' 338' ' ' PHE . 65.6 mt -123.51 109.23 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.47 109.479 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -73.64 116.88 14.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 2.1 109.194 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.54 4.21 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.476 -1.45 . . . . 0.42 109.476 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.2 ttp180 -81.01 -57.0 3.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -1.121 . . . . 2.68 109.634 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.45 -46.38 86.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -0.907 . . . . 2.22 109.672 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.488 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.4 ttm180 -60.78 -41.58 95.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.253 -0.904 . . . . 2.77 109.506 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.525 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.5 t80 -55.12 -55.66 28.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.43 109.579 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.86 -37.98 54.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 1.66 110.027 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.74 -46.53 87.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.236 -0.915 . . . . 0.44 110.154 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.49 -51.12 69.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.29 109.274 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.81 59.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.374 -0.829 . . . . 2.44 109.761 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.84 -41.13 90.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.221 -0.925 . . . . 1.74 109.857 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' B' ' 344' ' ' LEU . 69.7 mt -62.52 -44.89 95.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.3 109.525 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.56 -47.5 84.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 1.22 109.977 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.88 -37.05 83.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 1.72 109.968 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.53 -51.99 67.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.922 . . . . 0.27 110.028 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 29.5 mt -61.38 -41.5 97.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.312 -0.868 . . . . 0.29 109.647 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.78 -35.88 75.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.91 109.56 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.488 HD21 ' NE2' ' B' ' 354' ' ' GLN . 10.6 tp -64.01 -45.36 89.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.87 . . . . 0.41 109.59 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.68 -43.27 99.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.56 109.169 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.7 -31.19 64.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.636 -0.665 . . . . 1.43 109.799 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.21 72.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.381 -0.824 . . . . 0.66 109.598 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.492 ' NE2' HD21 ' B' ' 350' ' ' LEU . 2.3 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 1.18 109.563 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.393 -0.595 . . . . 1.61 109.393 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.6 m-85 -93.05 153.7 18.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.57 109.594 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.5 m-85 -139.3 -171.91 3.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.53 109.504 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 67.8 p -153.2 160.04 42.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.38 109.376 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.83 131.33 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -0.895 . . . . 0.36 109.611 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.13 132.2 34.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 1.36 109.455 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.521 HD12 ' HD1' ' B' ' 338' ' ' PHE . 65.5 mt -123.49 109.15 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.49 109.484 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.505 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -73.53 116.91 14.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 2.1 109.279 179.841 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.38 136.64 4.23 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.447 -1.461 . . . . 0.44 109.447 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.2 ttp180 -81.13 -56.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.301 -1.117 . . . . 2.72 109.731 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.56 -46.62 86.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.32 -0.862 . . . . 2.21 109.596 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.49 -41.71 94.83 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.164 -0.96 . . . . 2.79 109.572 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' B' ' 332' ' ' ILE . 43.8 t80 -55.11 -55.56 29.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.45 109.661 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.9 -37.96 54.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 1.68 110.038 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.78 -46.54 87.54 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.166 -0.959 . . . . 0.43 110.185 -179.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.41 -51.1 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.28 109.348 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.63 59.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 2.52 109.696 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.83 -41.23 90.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.1 -1.0 . . . . 1.75 109.852 -179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 344' ' ' LEU . 70.3 mt -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.231 -0.918 . . . . 0.31 109.574 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.55 -47.56 83.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.21 109.932 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.95 -36.98 83.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.29 -0.881 . . . . 1.69 109.958 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.57 -51.98 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.272 -0.892 . . . . 0.27 109.962 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.36 -41.53 97.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.3 109.687 -179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.81 -35.86 75.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.291 -0.881 . . . . 1.93 109.537 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.492 HD21 ' NE2' ' A' ' 354' ' ' GLN . 10.6 tp -64.04 -45.28 89.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.4 109.643 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.79 -43.23 99.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.431 -0.793 . . . . 1.59 109.059 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.78 -31.3 64.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.591 -0.693 . . . . 1.43 109.602 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -48.14 72.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.65 109.618 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.488 ' NE2' HD21 ' A' ' 350' ' ' LEU . 2.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.285 -0.884 . . . . 1.19 109.586 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.328 -0.619 . . . . 2.11 109.328 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 8.5 m-85 -93.11 153.78 18.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.959 . . . . 0.64 109.577 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 79.0 m-85 -139.35 -171.95 3.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.49 109.507 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 66.9 p -153.17 160.17 42.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.174 -0.954 . . . . 0.47 109.401 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.88 131.27 16.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.42 109.551 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -86.13 132.28 34.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.328 -0.857 . . . . 1.81 109.391 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' C' ' 338' ' ' PHE . 65.5 mt -123.46 109.22 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.42 109.516 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -73.68 117.05 15.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 2.35 109.24 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.27 136.55 4.23 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.402 -1.479 . . . . 0.41 109.402 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.2 ttp180 -81.06 -56.94 3.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -1.135 . . . . 2.59 109.629 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -46.49 86.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.361 -0.837 . . . . 2.54 109.688 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.4 ttm180 -60.75 -41.55 95.62 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.246 -0.909 . . . . 3.39 109.523 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.5 t80 -55.17 -55.62 29.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.351 -0.843 . . . . 0.47 109.562 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.89 -37.99 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -0.825 . . . . 1.66 110.026 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.7 -46.59 87.42 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.208 -0.933 . . . . 0.61 110.221 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.31 -51.14 70.12 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.174 -0.954 . . . . 0.33 109.367 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -40.7 59.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.383 -0.823 . . . . 3.28 109.752 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.77 -41.23 90.6 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.271 -0.893 . . . . 1.78 109.866 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' D' ' 344' ' ' LEU . 70.3 mt -62.47 -45.05 94.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.38 109.494 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.39 -47.63 83.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 1.2 110.023 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.97 -36.91 82.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 2.12 109.946 -179.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.67 -51.83 68.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 0.26 110.038 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 29.0 mt -61.42 -41.46 97.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 0.4 109.682 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.8 -35.91 75.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.09 109.595 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.5 HD21 ' NE2' ' D' ' 354' ' ' GLN . 10.6 tp -63.95 -45.31 89.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.75 109.677 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.72 -43.38 98.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 2.19 109.122 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.67 -31.13 64.11 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.541 -0.724 . . . . 1.34 109.753 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.12 72.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.845 . . . . 0.72 109.556 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.689 ' NE2' HD21 ' D' ' 350' ' ' LEU . 2.3 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.917 . . . . 1.8 109.642 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.262 -0.644 . . . . 1.67 109.262 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.5 m-85 -93.16 153.73 18.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.61 109.528 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.4 m-85 -139.4 -171.97 3.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.56 109.455 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 66.9 p -153.23 160.1 42.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.878 . . . . 0.43 109.406 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.8 131.24 16.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.237 -0.914 . . . . 0.35 109.635 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.17 132.3 34.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.32 -0.863 . . . . 1.37 109.369 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' D' ' 338' ' ' PHE . 65.3 mt -123.5 109.21 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.48 109.506 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -73.62 116.87 14.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 2.08 109.331 179.854 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.58 4.22 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.443 -1.463 . . . . 0.4 109.443 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.2 ttp180 -80.93 -56.95 3.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -1.131 . . . . 2.64 109.72 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.37 -46.7 85.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.279 -0.888 . . . . 2.22 109.673 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.54 -41.67 94.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.251 -0.906 . . . . 2.74 109.509 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -55.16 -55.58 29.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 0.43 109.608 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.0 -37.89 54.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 1.69 109.971 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.81 -46.55 87.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.175 -0.953 . . . . 0.43 110.181 -179.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.31 -51.26 69.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.141 -0.975 . . . . 0.27 109.341 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.65 59.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.429 -0.795 . . . . 2.45 109.756 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.237 -0.914 . . . . 1.75 109.745 -179.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' C' ' 344' ' ' LEU . 70.1 mt -62.46 -44.97 95.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.31 109.508 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -58.46 -47.66 83.28 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.96 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -36.92 82.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 1.73 110.017 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.68 -51.77 68.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.28 110.065 -179.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.51 -41.39 97.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.31 109.663 -179.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.96 -35.72 75.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 1.91 109.587 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.689 HD21 ' NE2' ' C' ' 354' ' ' GLN . 10.6 tp -64.05 -45.32 89.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.43 109.627 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' C' ' 350' ' ' LEU . 35.5 ttmt -61.71 -43.25 99.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 1.57 109.136 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.83 -31.21 64.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.62 -0.675 . . . . 1.44 109.669 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -48.17 72.78 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.896 . . . . 0.64 109.637 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' C' ' 350' ' ' LEU . 2.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 1.21 109.621 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.289 0.566 . . . . 1.7 109.569 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.19 153.21 17.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.61 109.766 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HG3' ' C' ' 331' ' ' GLN . 84.5 m-85 -140.91 -173.57 3.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.58 109.579 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.8 p -152.09 157.32 41.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.42 109.34 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -148.59 131.06 15.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.271 -0.893 . . . . 0.36 109.406 -179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.5 tt0 -85.78 131.88 34.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 1.37 109.2 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 341' ' ' PHE . 53.4 mt -123.99 115.48 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.962 . . . . 0.47 109.668 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.84 149.97 41.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 2.1 109.274 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.84 139.13 10.42 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.6 -1.4 . . . . 0.42 109.6 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.549 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 1.4 ttm-85 -82.26 -57.47 3.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.237 -1.155 . . . . 2.68 109.324 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.46 -41.34 89.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.406 -0.809 . . . . 2.22 109.647 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.44 -44.34 95.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.271 -0.893 . . . . 2.77 109.694 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.79 -53.28 57.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.43 109.54 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.98 -37.67 53.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 1.66 109.744 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 12.7 ttp -63.03 -45.82 90.5 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.18 -0.95 . . . . 0.44 110.115 -179.576 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 332' ' ' ILE . 23.2 m-85 -61.57 -54.22 45.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.29 109.333 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.72 -34.12 25.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 2.44 109.5 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 340' ' ' MET . 34.6 tt0 -60.25 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.187 -0.946 . . . . 1.74 109.521 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 344' ' ' LEU . 96.2 mt -61.45 -34.5 75.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.3 108.903 179.587 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.17 -54.06 51.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.462 -0.774 . . . . 1.22 109.53 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.23 -31.74 72.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.445 -0.785 . . . . 1.72 109.912 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.05 -54.41 45.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.185 -0.947 . . . . 0.27 110.045 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.16 -42.72 99.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.29 109.696 -179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.72 -35.46 74.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 1.91 109.595 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.611 HD11 ' NE2' ' B' ' 354' ' ' GLN . 18.6 tp -64.86 -42.03 95.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 0.41 109.366 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 30.3 ttmt -62.64 -50.1 72.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.81 . . . . 1.56 109.089 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.22 -30.46 64.61 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.601 -0.687 . . . . 1.43 109.805 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.17 91.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.66 109.944 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.67 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 1.18 109.765 -179.775 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.27 0.557 . . . . 1.61 109.544 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.18 153.24 17.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.912 . . . . 0.57 109.79 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.9 m-85 -140.92 -173.5 3.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -0.85 . . . . 0.53 109.549 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.403 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 56.9 p -152.06 157.35 41.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.38 109.343 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.63 130.99 15.63 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.278 -0.889 . . . . 0.36 109.472 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 32.6 tt0 -85.72 131.77 34.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.36 109.206 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' B' ' 341' ' ' PHE . 52.3 mt -123.88 115.38 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.49 109.792 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.9 149.9 41.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 2.1 109.358 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.09 10.42 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.598 -1.401 . . . . 0.44 109.598 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.535 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 1.4 ttm-85 -82.37 -57.35 3.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -1.16 . . . . 2.72 109.3 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -59.52 -41.43 89.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 2.21 109.65 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.35 -44.24 95.75 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.321 -0.862 . . . . 2.79 109.813 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.92 -53.23 58.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.312 -0.868 . . . . 0.45 109.537 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.96 -37.6 53.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 1.68 109.744 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 12.8 ttp -63.15 -45.82 90.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.223 -0.923 . . . . 0.43 109.984 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.479 ' CB ' HD13 ' B' ' 332' ' ' ILE . 23.3 m-85 -61.68 -54.18 46.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.28 109.345 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.67 -34.16 25.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.283 -0.886 . . . . 2.52 109.473 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 340' ' ' MET . 34.4 tt0 -60.27 -49.25 78.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 1.75 109.483 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 344' ' ' LEU . 96.1 mt -61.62 -34.34 75.5 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.278 -0.889 . . . . 0.31 108.962 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.12 -54.22 49.53 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.376 -0.828 . . . . 1.21 109.508 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.95 -31.88 73.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.495 -0.753 . . . . 1.69 109.978 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.1 -54.33 45.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.27 110.039 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.21 -42.7 99.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.899 . . . . 0.3 109.749 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.66 -35.67 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.93 109.577 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.67 HD11 ' NE2' ' A' ' 354' ' ' GLN . 18.6 tp -64.65 -42.11 95.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.4 109.393 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 30.3 ttmt -62.59 -50.15 72.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.468 -0.77 . . . . 1.59 109.11 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.24 -30.33 64.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.563 -0.711 . . . . 1.43 109.807 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.22 91.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.65 109.905 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.611 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 1.19 109.753 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.267 0.556 . . . . 2.11 109.557 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.2 153.34 17.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 0.64 109.835 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.5 m-85 -140.93 -173.58 3.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.49 109.59 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.6 p -152.04 157.21 41.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.129 -0.982 . . . . 0.47 109.332 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.44 131.13 15.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.42 109.47 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.5 tt0 -85.83 131.8 34.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 1.81 109.174 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' C' ' 341' ' ' PHE . 52.8 mt -123.89 115.44 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.42 109.731 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.85 149.93 41.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 2.35 109.341 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.13 10.45 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.619 -1.393 . . . . 0.41 109.619 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 1.4 ttm-85 -82.33 -57.39 3.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -1.12 . . . . 2.59 109.324 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -59.57 -41.17 89.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.344 -0.847 . . . . 2.54 109.67 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.65 -44.13 96.79 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.239 -0.913 . . . . 3.39 109.719 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.94 -53.19 58.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.868 . . . . 0.47 109.574 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.99 -37.61 53.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 1.66 109.718 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 12.7 ttp -63.11 -45.84 90.14 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.281 -0.887 . . . . 0.61 110.089 -179.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' C' ' 332' ' ' ILE . 23.4 m-85 -61.49 -54.38 44.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.084 -1.01 . . . . 0.33 109.295 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.71 -34.11 25.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 3.28 109.526 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' C' ' 340' ' ' MET . 34.6 tt0 -60.1 -49.47 77.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.13 -0.981 . . . . 1.78 109.487 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' D' ' 344' ' ' LEU . 96.1 mt -61.5 -34.47 75.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.199 -0.938 . . . . 0.38 108.917 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.05 -54.17 50.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.374 -0.828 . . . . 1.2 109.555 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.09 -31.92 73.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.426 -0.796 . . . . 2.12 109.971 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -54.4 45.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.26 110.029 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.4 109.713 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.52 74.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 2.09 109.644 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 18.7 tp -64.96 -41.9 95.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.376 -0.828 . . . . 0.75 109.359 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.68 -49.97 73.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 2.19 109.08 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -57.41 -30.43 64.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.618 -0.676 . . . . 1.34 109.754 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.21 91.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.72 109.954 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.217 -0.927 . . . . 1.8 109.7 -179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.217 0.532 . . . . 1.67 109.599 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.04 153.31 17.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.276 -0.89 . . . . 0.61 109.788 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.2 m-85 -141.01 -173.59 3.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.34 -0.85 . . . . 0.56 109.577 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 57.0 p -152.04 157.37 41.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.43 109.266 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.61 131.09 15.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 0.35 109.438 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.8 131.8 34.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 1.37 109.181 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.482 HD13 ' CB ' ' D' ' 341' ' ' PHE . 52.4 mt -123.88 115.38 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.48 109.828 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 150.0 41.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.928 . . . . 2.08 109.356 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.77 139.14 10.41 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.625 -1.39 . . . . 0.4 109.625 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.4 ttm-85 -82.3 -57.5 3.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -1.071 . . . . 2.64 109.285 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.44 -41.47 89.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 2.22 109.621 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.33 -44.38 95.54 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 2.74 109.652 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.2 t80 -54.83 -53.4 55.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.339 -0.851 . . . . 0.43 109.499 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.76 -37.73 52.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 1.69 109.786 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 12.6 ttp -63.05 -45.85 90.25 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.24 -0.913 . . . . 0.43 110.106 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.482 ' CB ' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.57 -54.34 44.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.972 . . . . 0.27 109.324 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.56 -34.2 24.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 2.45 109.529 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 34.7 tt0 -60.15 -49.39 77.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 1.75 109.52 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' C' ' 344' ' ' LEU . 96.1 mt -61.58 -34.35 75.46 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.164 -0.96 . . . . 0.31 108.899 179.669 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.15 -54.12 50.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.471 -0.768 . . . . 1.22 109.54 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.01 -32.0 73.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 1.73 109.936 -179.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.92 -54.36 45.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.28 110.106 -179.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.291 -0.881 . . . . 0.31 109.651 -179.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.51 74.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 1.91 109.619 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.66 HD21 ' NE2' ' C' ' 354' ' ' GLN . 18.8 tp -64.88 -41.96 95.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.314 -0.866 . . . . 0.43 109.308 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 30.3 ttmt -62.67 -50.02 72.81 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.462 -0.774 . . . . 1.57 109.086 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.3 -30.42 64.72 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.616 -0.677 . . . . 1.44 109.757 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.16 90.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.64 109.861 -179.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.292 -0.88 . . . . 1.21 109.709 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.248 0.547 . . . . 1.7 109.84 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.56 155.84 16.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.326 -0.859 . . . . 0.61 109.361 179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 75.8 m-85 -140.82 136.37 32.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -0.9 . . . . 0.58 109.301 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.7 p -91.96 171.53 9.06 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.811 . . . . 0.42 109.931 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 330' ' ' LEU . 23.5 tp -148.96 132.39 16.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.316 -0.865 . . . . 0.36 109.345 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.48 122.36 31.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.385 -0.822 . . . . 1.37 109.774 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 341' ' ' PHE . 27.9 mt -124.01 109.75 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.47 109.402 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 1.8 tmt_? -72.99 147.24 45.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 2.1 109.754 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 95.73 131.4 6.62 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 6.0 ttm180 -79.6 -49.56 12.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.263 -1.139 . . . . 2.68 109.313 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.27 -47.21 86.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 2.22 109.323 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.722 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.0 tpp180 -62.51 -42.47 99.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.282 -0.886 . . . . 2.77 109.165 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 20.8 t80 -54.26 -48.94 70.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.33 -0.856 . . . . 0.43 109.289 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.82 -37.61 60.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.27 -0.894 . . . . 1.66 109.766 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -62.68 -46.71 86.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.44 110.06 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.6 m-85 -60.99 -50.9 71.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 0.29 109.452 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.08 -38.59 52.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.826 . . . . 2.44 109.721 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -50.98 71.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 1.74 109.899 -179.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 348' ' ' LEU . 84.5 mt -61.31 -33.87 74.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.3 109.209 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.05 -53.52 56.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.386 -0.821 . . . . 1.22 109.742 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.04 82.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.392 -0.818 . . . . 1.72 110.235 -179.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.92 -50.26 74.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.27 109.954 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.76 HD22 ' NH1' ' C' ' 337' ' ' ARG . 36.2 mt -62.17 -45.99 90.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.29 109.525 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.49 -31.79 69.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 1.91 109.589 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.667 HD11 ' NE2' ' B' ' 354' ' ' GLN . 14.8 tp -64.77 -47.36 78.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.905 . . . . 0.41 109.365 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.89 -48.87 78.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.457 -0.777 . . . . 1.56 109.128 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.7 -32.35 65.38 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.613 -0.68 . . . . 1.43 109.639 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.3 84.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.66 109.505 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.543 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 1.18 109.506 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.158 0.504 . . . . 1.61 109.742 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -94.68 155.87 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.328 -0.858 . . . . 0.57 109.368 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 75.8 m-85 -140.83 136.3 32.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.53 109.331 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.94 171.72 8.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.328 -0.857 . . . . 0.38 109.838 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' B' ' 330' ' ' LEU . 23.4 tp -149.14 132.25 16.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.336 -0.852 . . . . 0.36 109.389 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.33 122.44 31.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.36 109.83 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' B' ' 341' ' ' PHE . 28.0 mt -124.14 109.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.49 109.291 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 1.8 tmt_? -72.95 147.19 45.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 2.1 109.703 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.413 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 95.8 131.35 6.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.83 -1.308 . . . . 0.44 109.83 179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 6.0 ttm180 -79.48 -49.7 11.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.175 . . . . 2.72 109.268 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.1 -47.31 85.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.288 -0.882 . . . . 2.21 109.417 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.782 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.0 tpp180 -62.52 -42.35 99.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.282 -0.886 . . . . 2.79 109.215 179.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.425 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 20.6 t80 -54.32 -48.92 70.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.852 . . . . 0.45 109.3 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.74 -37.56 59.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 1.68 109.84 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.79 -46.67 86.92 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.27 -0.894 . . . . 0.43 110.024 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.428 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.4 m-85 -61.01 -50.83 71.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.28 109.398 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.23 -38.53 53.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 2.52 109.734 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -50.96 72.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 1.75 109.882 -179.681 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.471 HD23 HD21 ' A' ' 348' ' ' LEU . 84.9 mt -61.35 -33.8 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 0.31 109.218 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.1 -53.59 56.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.843 . . . . 1.21 109.683 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.18 82.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.69 110.194 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.07 75.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.27 110.049 -179.529 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.787 HD22 ' NH1' ' D' ' 337' ' ' ARG . 35.2 mt -62.09 -46.07 90.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 0.3 109.61 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.81 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -0.85 . . . . 1.93 109.581 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.543 HD11 ' NE2' ' A' ' 354' ' ' GLN . 14.7 tp -64.78 -47.47 78.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.4 109.294 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -61.88 -48.79 78.91 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.389 -0.82 . . . . 1.59 109.134 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.673 -0.642 . . . . 1.43 109.682 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.21 83.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 0.65 109.609 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.667 ' NE2' HD11 ' A' ' 350' ' ' LEU . 9.2 mt-30 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 1.19 109.619 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.24 0.543 . . . . 2.11 109.806 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.6 155.79 16.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.381 -0.824 . . . . 0.64 109.387 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -140.78 136.36 32.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.49 109.165 179.332 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -91.95 171.58 9.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -0.813 . . . . 0.47 109.889 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' C' ' 330' ' ' LEU . 23.4 tp -149.0 132.34 16.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.829 . . . . 0.42 109.376 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.32 30.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 1.81 109.816 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' C' ' 341' ' ' PHE . 27.8 mt -123.91 109.77 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.252 -0.905 . . . . 0.42 109.339 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 1.8 tmt_? -72.98 147.18 45.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 2.35 109.733 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 95.7 131.39 6.61 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 6.0 ttm180 -79.57 -49.56 12.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.319 -1.106 . . . . 2.59 109.256 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.29 -47.32 85.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 2.54 109.335 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.76 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.0 tpp180 -62.44 -42.42 99.44 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 3.39 109.273 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CG ' ' HB2' ' A' ' 328' ' ' PHE . 20.4 t80 -54.29 -48.92 70.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.47 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.73 -37.51 59.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.222 -0.924 . . . . 1.66 109.856 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.86 -46.66 86.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.169 -0.957 . . . . 0.61 109.987 -179.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 21.6 m-85 -61.02 -50.82 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 0.33 109.457 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -51.19 -38.49 52.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 3.28 109.732 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.25 -50.96 72.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.039 -1.038 . . . . 1.78 109.933 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.493 HD23 HD21 ' D' ' 348' ' ' LEU . 84.7 mt -61.24 -33.92 74.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.189 -0.944 . . . . 0.38 109.187 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.09 -53.55 56.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.408 -0.807 . . . . 1.2 109.641 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -36.07 82.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 2.12 110.256 -179.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -50.17 74.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.26 110.013 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.722 HD22 ' NH1' ' A' ' 337' ' ' ARG . 35.7 mt -62.06 -46.06 90.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.4 109.617 -179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.88 69.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 2.09 109.519 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.579 HD11 ' NE2' ' D' ' 354' ' ' GLN . 14.7 tp -64.76 -47.37 78.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.75 109.335 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.85 -48.89 78.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.448 -0.782 . . . . 2.19 109.149 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.65 -32.43 65.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.507 -0.746 . . . . 1.34 109.621 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.34 84.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.274 -0.891 . . . . 0.72 109.46 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.636 ' NE2' HD11 ' D' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.929 . . . . 1.8 109.569 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.28 0.562 . . . . 1.67 109.832 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.54 155.85 16.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.61 109.413 179.658 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 76.4 m-85 -140.89 136.36 32.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.56 109.271 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.3 p -91.91 171.75 8.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.43 109.864 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' D' ' 330' ' ' LEU . 23.5 tp -149.21 132.3 16.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 0.35 109.39 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.47 31.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.176 -0.953 . . . . 1.37 109.774 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' D' ' 341' ' ' PHE . 28.1 mt -124.07 109.55 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.253 -0.904 . . . . 0.48 109.303 179.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 1.9 tmt_? -72.82 147.04 45.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 2.08 109.793 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 95.86 131.4 6.66 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.739 -1.344 . . . . 0.4 109.739 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 6.0 ttm180 -79.53 -49.48 12.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -1.168 . . . . 2.64 109.354 179.723 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.3 -47.33 85.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 2.22 109.317 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.0 tpp180 -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.218 -0.926 . . . . 2.74 109.256 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 20.4 t80 -54.38 -48.9 70.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.43 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.69 -37.67 59.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.69 109.77 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.78 -46.67 86.93 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.22 -0.925 . . . . 0.43 110.054 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.415 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.8 m-85 -60.97 -50.82 71.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.27 109.425 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.32 -38.39 52.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 2.45 109.695 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.98 71.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 1.75 109.848 -179.722 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.542 HD23 HD21 ' C' ' 348' ' ' LEU . 84.8 mt -61.3 -33.92 74.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.092 -1.005 . . . . 0.31 109.209 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.07 -53.55 56.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.22 109.672 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -35.94 81.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.407 -0.808 . . . . 1.73 110.309 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.01 -50.22 74.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.28 109.9 -179.554 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.782 HD22 ' NH1' ' B' ' 337' ' ' ARG . 35.3 mt -62.05 -46.08 90.73 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.361 -0.837 . . . . 0.31 109.579 -179.732 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.53 -31.74 69.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 1.91 109.558 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.636 HD11 ' NE2' ' C' ' 354' ' ' GLN . 14.7 tp -64.84 -47.37 78.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.851 . . . . 0.43 109.344 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.74 -49.04 78.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.776 . . . . 1.57 109.145 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.63 -32.33 65.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.557 -0.714 . . . . 1.44 109.766 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.22 83.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.64 109.572 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.579 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.183 -0.948 . . . . 1.21 109.683 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.291 0.567 . . . . 1.7 109.522 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -93.28 157.12 16.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.61 109.437 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -140.16 -169.65 2.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.975 . . . . 0.58 109.771 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.5 p -153.29 157.46 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.42 109.507 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' C' ' 345' ' ' ASN . 11.0 tp -149.31 131.13 15.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.36 109.48 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -87.24 129.12 35.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 1.37 109.566 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 341' ' ' PHE . 40.3 mt -123.97 119.04 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 0.47 109.458 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.11 149.53 41.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 2.1 109.659 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.46 133.27 7.3 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.982 -1.247 . . . . 0.42 109.982 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.0 ttp180 -79.15 -59.88 2.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.25 -1.147 . . . . 2.68 109.31 179.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 25.1 pt-20 -58.6 -41.39 85.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.365 -0.835 . . . . 2.22 109.175 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.7 ttp180 -60.91 -45.73 93.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 2.77 109.368 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.48 -49.28 72.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.43 109.638 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.99 44.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.66 110.108 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -62.76 -46.03 89.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.044 -1.035 . . . . 0.44 110.039 -179.332 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.653 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 22.3 m-85 -61.5 -48.85 79.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.137 -0.977 . . . . 0.29 109.33 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -42.98 59.5 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.4 -0.813 . . . . 2.44 109.551 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.21 -40.9 87.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.74 109.8 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.422 HD22 HD22 ' B' ' 344' ' ' LEU . 71.9 mt -62.62 -45.83 91.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.203 -0.936 . . . . 0.3 109.46 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.1 t30 -57.91 -45.01 87.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 1.22 109.789 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.42 -38.37 89.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.295 -0.878 . . . . 1.72 109.839 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.34 -49.24 78.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.25 -0.906 . . . . 0.27 109.784 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 17.5 mt -61.9 -42.32 98.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.29 109.825 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.86 -37.3 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 1.91 109.856 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.14 -49.18 73.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.41 109.315 -179.589 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.89 79.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.787 -0.819 . . . . 1.56 108.787 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.77 -38.23 81.24 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.599 -0.688 . . . . 1.43 109.375 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -23.92 66.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.499 -0.751 . . . . 0.66 109.549 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.623 ' NE2' HD11 ' B' ' 350' ' ' LEU . 6.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.94 . . . . 1.18 109.323 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.47 -0.567 . . . . 1.61 109.47 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 22.8 m-85 -93.4 157.23 16.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.884 . . . . 0.57 109.36 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.7 m-85 -140.18 -169.7 2.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.936 . . . . 0.53 109.726 -179.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.4 p -153.34 157.46 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.38 109.43 -179.739 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.0 tp -149.18 131.14 15.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.36 109.54 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.3 tt0 -87.31 129.16 35.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 1.36 109.513 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' B' ' 341' ' ' PHE . 39.7 mt -123.88 118.97 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.49 109.493 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.06 149.52 41.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.314 -0.866 . . . . 2.1 109.731 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 133.35 7.34 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.908 -1.277 . . . . 0.44 109.908 179.673 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.1 ttp180 -79.18 -59.95 2.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.125 . . . . 2.72 109.366 179.723 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 25.1 pt-20 -58.57 -41.31 85.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.847 . . . . 2.21 109.209 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.7 ttp180 -60.95 -45.72 93.59 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.308 -0.87 . . . . 2.79 109.417 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.55 -49.29 73.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.45 109.592 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.93 44.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 1.68 110.11 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.2 ttp -62.82 -46.04 89.8 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.697 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 22.3 m-85 -61.4 -48.94 78.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.28 109.348 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -42.92 58.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.382 -0.824 . . . . 2.52 109.658 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.37 -40.88 87.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.75 109.748 -179.699 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 344' ' ' LEU . 71.8 mt -62.53 -45.81 91.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.31 109.552 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.43 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.0 t30 -57.88 -45.15 86.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 1.21 109.753 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.26 -38.41 89.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -0.912 . . . . 1.69 109.877 -179.643 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -49.26 78.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.266 -0.896 . . . . 0.27 109.717 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.668 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 17.5 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.3 109.787 -179.66 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.95 -37.31 81.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.337 -0.852 . . . . 1.93 109.792 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.623 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.1 tt -64.23 -49.02 73.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.4 109.289 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 35.3 ttmt -60.4 -37.05 79.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.265 -0.897 . . . . 1.59 108.891 179.654 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.62 -38.15 80.53 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.604 -0.685 . . . . 1.43 109.456 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.81 -24.03 66.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.448 -0.782 . . . . 0.65 109.537 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.528 ' NE2' HD11 ' A' ' 350' ' ' LEU . 6.3 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.362 -0.836 . . . . 1.19 109.371 179.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.522 -0.547 . . . . 2.11 109.522 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 22.7 m-85 -93.43 157.21 16.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.64 109.412 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.3 m-85 -140.14 -169.73 2.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.15 -0.969 . . . . 0.49 109.8 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.4 p -153.42 157.45 39.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.47 109.482 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 345' ' ' ASN . 11.1 tp -149.18 131.12 15.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.121 -0.987 . . . . 0.42 109.555 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -87.3 129.11 35.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 1.81 109.483 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.409 HD13 ' CB ' ' C' ' 341' ' ' PHE . 40.1 mt -123.95 118.96 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.42 109.499 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -73.97 149.45 41.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 2.35 109.773 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.53 133.36 7.35 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.967 -1.253 . . . . 0.41 109.967 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.0 ttp180 -79.32 -59.81 2.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.329 -1.101 . . . . 2.59 109.261 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 25.1 pt-20 -58.63 -41.41 85.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 2.54 109.185 179.772 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.7 ttp180 -60.77 -45.86 92.71 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.364 -0.835 . . . . 3.39 109.36 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.45 -49.34 72.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.398 -0.814 . . . . 0.47 109.624 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.98 44.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 1.66 110.106 -179.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.69 -46.17 89.37 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.146 -0.971 . . . . 0.61 110.02 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.4 -48.91 79.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.104 -0.997 . . . . 0.33 109.29 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -42.83 59.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.407 -0.808 . . . . 3.28 109.6 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -59.35 -40.91 87.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.254 -0.904 . . . . 1.78 109.727 -179.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' D' ' 344' ' ' LEU . 71.9 mt -62.51 -45.88 90.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.38 109.493 -179.881 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.421 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.0 t30 -57.92 -45.06 87.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.88 . . . . 1.2 109.767 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.24 -38.51 89.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 2.12 109.919 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.39 -49.24 78.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.26 109.746 -179.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.653 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 17.4 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.4 109.81 -179.687 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.97 -37.44 82.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 2.09 109.735 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.629 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.1 tt -64.02 -49.04 73.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.75 109.384 -179.597 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 35.3 ttmt -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.33 -0.856 . . . . 2.19 108.862 179.708 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.71 -38.13 80.77 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.549 -0.719 . . . . 1.34 109.322 179.656 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -24.17 66.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.72 109.47 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.506 ' NE2' HD11 ' D' ' 350' ' ' LEU . 6.3 mt-30 . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.8 109.333 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.301 0.572 . . . . 1.67 109.475 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -93.34 157.21 16.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.282 -0.887 . . . . 0.61 109.442 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.6 m-85 -140.18 -169.84 2.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.975 . . . . 0.56 109.801 -179.795 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 1.4 p -153.23 157.43 40.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.43 109.464 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.0 tp -149.25 131.07 15.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.35 109.541 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.15 129.07 35.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 1.37 109.54 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' D' ' 341' ' ' PHE . 40.3 mt -123.93 119.0 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.48 109.458 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.05 149.56 41.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 2.08 109.677 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.5 133.27 7.31 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.994 -1.243 . . . . 0.4 109.994 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttp180 -79.17 -59.93 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -1.14 . . . . 2.64 109.345 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 25.1 pt-20 -58.51 -41.41 85.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 2.22 109.163 179.806 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.7 ttp180 -60.89 -45.85 92.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.389 -0.819 . . . . 2.74 109.393 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.45 -49.28 72.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.403 -0.81 . . . . 0.43 109.652 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.89 44.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.213 -0.929 . . . . 1.69 110.14 -179.57 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.8 -46.13 89.39 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.052 -1.03 . . . . 0.43 109.988 -179.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.668 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 22.3 m-85 -61.43 -48.9 79.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.27 109.288 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -42.74 60.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.309 -0.869 . . . . 2.45 109.658 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.34 -40.86 87.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.207 -0.933 . . . . 1.75 109.801 -179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' C' ' 344' ' ' LEU . 72.2 mt -62.5 -45.93 90.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.109 -0.995 . . . . 0.31 109.563 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' B' ' 330' ' ' LEU . 54.9 t30 -57.91 -45.0 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.856 . . . . 1.22 109.817 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.34 -38.38 89.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.366 -0.834 . . . . 1.73 109.825 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.45 -49.22 78.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.28 109.691 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.697 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 17.5 mt -61.83 -42.42 99.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.368 -0.832 . . . . 0.31 109.801 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.78 -37.45 81.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 1.91 109.861 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.604 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.19 -49.04 73.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.43 109.35 -179.532 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.93 79.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.57 108.812 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -59.69 -38.15 80.75 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.528 -0.733 . . . . 1.44 109.419 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -24.12 66.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.461 -0.775 . . . . 0.64 109.504 -179.831 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.629 ' NE2' HD11 ' C' ' 350' ' ' LEU . 6.3 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.92 . . . . 1.21 109.401 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.306 0.574 . . . . 1.7 109.939 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -96.82 154.16 17.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.988 . . . . 0.61 109.175 179.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.63 -174.79 3.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.142 -0.974 . . . . 0.58 109.802 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.0 p -153.44 159.08 42.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.42 109.273 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.1 tp -149.05 129.29 13.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.14 -0.975 . . . . 0.36 109.63 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.45 129.77 34.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.37 109.338 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.2 mt -123.83 117.1 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.47 109.559 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.57 156.61 37.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 2.1 109.537 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.1 139.04 6.32 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.756 -1.338 . . . . 0.42 109.756 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.02 -60.59 2.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.348 -1.089 . . . . 2.68 109.531 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.46 -38.09 76.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 2.22 109.65 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.665 HH12 HD22 ' C' ' 348' ' ' LEU . 5.4 tpp180 -62.76 -46.97 85.55 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.287 -0.883 . . . . 2.77 109.54 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' A' ' 332' ' ' ILE . 42.1 t80 -54.88 -51.2 66.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 0.43 109.491 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.26 -32.78 38.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 1.66 109.92 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.56 -52.04 62.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.139 -0.976 . . . . 0.44 110.06 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 19.4 m-85 -60.85 -51.77 67.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.29 109.14 -179.885 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.43 -38.1 41.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.494 -0.754 . . . . 2.44 109.371 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -61.74 -43.96 97.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -0.839 . . . . 1.74 109.793 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.96 -47.02 86.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.341 -0.849 . . . . 0.3 109.737 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.473 ' HB2' HD21 ' C' ' 330' ' ' LEU . 44.7 t30 -58.22 -42.98 87.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 1.22 109.783 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -41.94 99.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 1.72 109.89 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.6 -46.24 89.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.27 109.843 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.616 HD22 HH12 ' C' ' 337' ' ' ARG . 75.4 mt -62.06 -43.5 98.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.29 109.714 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.93 -37.25 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.91 109.78 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -63.53 -48.69 76.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.41 109.732 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.521 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 27.7 ttmt -61.19 -40.8 95.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.312 -0.868 . . . . 1.56 109.153 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.23 -33.03 67.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.559 -0.713 . . . . 1.43 109.586 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.18 89.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.66 109.342 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.523 ' NE2' HD11 ' B' ' 350' ' ' LEU . 20.8 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.18 109.43 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.217 0.532 . . . . 1.61 109.965 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -96.73 154.21 17.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.198 -0.939 . . . . 0.57 109.207 179.45 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.8 m-85 -139.57 -174.74 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.53 109.862 -179.695 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.1 p -153.52 159.16 42.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.38 109.256 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.13 129.2 13.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.36 109.529 -179.793 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.47 129.81 34.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.35 -0.843 . . . . 1.36 109.379 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.5 mt -123.77 117.04 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.11 -0.994 . . . . 0.49 109.507 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.63 156.67 37.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.253 -0.905 . . . . 2.1 109.544 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.04 138.98 6.25 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.608 -1.397 . . . . 0.44 109.608 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -79.83 -60.67 2.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -1.104 . . . . 2.72 109.528 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.51 -38.02 76.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.323 -0.861 . . . . 2.21 109.667 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.637 HH12 HD22 ' D' ' 348' ' ' LEU . 5.4 tpp180 -62.8 -46.88 85.89 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.124 -0.985 . . . . 2.79 109.579 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' B' ' 332' ' ' ILE . 42.1 t80 -54.83 -51.36 66.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.425 -0.797 . . . . 0.45 109.477 179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.03 -32.92 36.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 1.68 109.941 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.52 -52.07 62.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.134 -0.979 . . . . 0.43 110.081 -179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' B' ' 332' ' ' ILE . 19.5 m-85 -60.79 -51.82 67.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.28 109.183 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.47 -38.05 41.75 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.439 -0.788 . . . . 2.52 109.38 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.75 -44.07 97.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.912 . . . . 1.75 109.683 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.86 -47.03 86.86 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.235 -0.916 . . . . 0.31 109.747 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.0 t30 -58.26 -42.89 87.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.264 -0.898 . . . . 1.21 109.775 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 1.69 109.769 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.59 -46.2 89.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.27 109.827 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.773 HD22 HH12 ' D' ' 337' ' ' ARG . 75.3 mt -62.03 -43.47 98.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.3 109.845 -179.7 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -60.96 -37.22 81.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 1.93 109.711 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.656 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -63.56 -48.7 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.358 -0.839 . . . . 0.4 109.824 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . 27.8 ttmt -61.21 -40.7 94.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.324 -0.86 . . . . 1.59 109.141 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.24 -33.18 67.3 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.543 -0.723 . . . . 1.43 109.6 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.16 89.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 0.65 109.337 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.543 ' NE2' HD11 ' A' ' 350' ' ' LEU . 20.7 mt-30 . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.19 109.337 179.766 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.226 0.536 . . . . 2.11 109.998 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -96.81 154.34 17.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.64 109.198 179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.4 m-85 -139.68 -174.78 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.133 -0.979 . . . . 0.49 109.788 -179.632 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.0 p -153.53 159.13 42.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.47 109.25 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -149.08 129.26 13.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.42 109.515 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.38 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.393 -0.817 . . . . 1.81 109.415 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.4 mt -123.79 117.11 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 0.42 109.568 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.65 156.68 37.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.295 -0.878 . . . . 2.35 109.508 179.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.94 6.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.648 -1.381 . . . . 0.41 109.648 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.79 -60.7 2.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 2.59 109.514 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.01 76.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -0.924 . . . . 2.54 109.607 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.616 HH12 HD22 ' A' ' 348' ' ' LEU . 5.4 tpp180 -62.88 -46.84 85.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.229 -0.919 . . . . 3.39 109.543 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' C' ' 332' ' ' ILE . 41.7 t80 -54.94 -51.35 66.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.47 109.336 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -52.08 -32.82 36.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 1.66 109.942 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.62 -52.01 62.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.61 110.095 -179.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' C' ' 332' ' ' ILE . 19.6 m-85 -60.84 -51.76 67.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -0.918 . . . . 0.33 109.228 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.39 -38.07 40.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 3.28 109.439 179.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.7 -44.11 97.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.328 -0.857 . . . . 1.78 109.781 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.83 -47.11 86.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.38 109.79 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 44.7 t30 -58.21 -42.85 87.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 1.2 109.878 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 2.12 109.823 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.58 -46.25 89.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.26 109.86 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.665 HD22 HH12 ' A' ' 337' ' ' ARG . 75.2 mt -61.92 -43.52 98.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.356 -0.84 . . . . 0.4 109.796 -179.741 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -60.96 -37.2 81.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 2.09 109.672 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.667 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -63.57 -48.73 76.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.387 -0.821 . . . . 0.75 109.75 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -61.19 -40.78 95.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 2.19 109.115 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.25 -33.11 67.25 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.574 -0.704 . . . . 1.34 109.613 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.27 89.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.283 -0.886 . . . . 0.72 109.418 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' D' ' 350' ' ' LEU . 20.7 mt-30 . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.34 -0.85 . . . . 1.8 109.428 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.219 0.533 . . . . 1.67 109.964 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -96.82 154.18 17.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.102 -0.999 . . . . 0.61 109.14 179.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.9 m-85 -139.58 -174.72 3.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.56 109.839 -179.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 19.9 p -153.55 159.16 42.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.43 109.23 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.14 129.22 13.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 0.35 109.519 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.37 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.9 . . . . 1.37 109.399 179.794 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.5 mt -123.86 117.16 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.167 -0.958 . . . . 0.48 109.542 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.66 156.64 37.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.869 . . . . 2.08 109.534 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.91 6.27 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.763 -1.335 . . . . 0.4 109.763 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -79.87 -60.64 2.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.341 -1.094 . . . . 2.64 109.505 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.04 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.836 . . . . 2.22 109.515 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.773 HH12 HD22 ' B' ' 348' ' ' LEU . 5.5 tpp180 -62.86 -46.88 85.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.2 -0.937 . . . . 2.74 109.586 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.55 ' HD1' HD12 ' D' ' 332' ' ' ILE . 42.0 t80 -54.76 -51.41 65.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.43 109.459 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.21 -32.68 37.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.69 109.919 -179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.7 -51.9 62.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.217 -0.927 . . . . 0.43 110.096 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' D' ' 332' ' ' ILE . 19.3 m-85 -60.95 -51.76 67.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.27 109.13 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.5 -38.03 42.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.36 -0.837 . . . . 2.45 109.383 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.66 -44.04 97.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.345 -0.847 . . . . 1.75 109.794 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -47.04 86.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.9 . . . . 0.31 109.708 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.7 t30 -58.14 -42.91 86.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.902 . . . . 1.22 109.867 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -41.95 99.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 1.73 109.807 -179.689 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.59 -46.28 89.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 0.28 109.795 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.637 HD22 HH12 ' B' ' 337' ' ' ARG . 75.1 mt -61.91 -43.42 98.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.31 109.8 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.02 -37.23 81.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.91 109.709 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.663 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -63.55 -48.7 76.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.43 109.723 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 27.8 ttmt -61.28 -40.77 95.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.321 -0.862 . . . . 1.57 109.105 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.19 -33.07 67.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.556 -0.715 . . . . 1.44 109.562 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.17 89.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.859 . . . . 0.64 109.325 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.566 ' NE2' HD11 ' C' ' 350' ' ' LEU . 20.8 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 1.21 109.457 179.698 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.282 -0.636 . . . . 1.7 109.282 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -94.67 160.12 14.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.61 109.701 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.9 m-85 -138.76 -168.77 2.48 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.191 -0.943 . . . . 0.58 109.341 179.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.8 p -154.01 160.65 42.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.166 -0.959 . . . . 0.42 109.566 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -149.45 130.03 13.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.36 109.376 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -86.06 134.75 33.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.291 -0.881 . . . . 1.37 109.593 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.653 HD12 ' HD1' ' A' ' 338' ' ' PHE . 47.9 mt -124.07 117.41 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.286 -0.884 . . . . 0.47 109.35 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 144.3 47.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.427 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.29 136.02 7.24 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.606 -1.398 . . . . 0.42 109.606 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 68.8 ttt180 -81.15 -47.59 13.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -1.152 . . . . 2.68 109.505 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -47.92 82.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.391 -0.818 . . . . 2.22 109.493 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.0 tpp180 -61.94 -42.35 99.01 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.304 -0.873 . . . . 2.77 109.713 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.653 ' HD1' HD12 ' A' ' 332' ' ' ILE . 50.7 t80 -54.67 -49.0 71.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.346 -0.846 . . . . 0.43 109.449 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.24 -38.16 57.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 1.66 109.769 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.0 -46.9 87.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.233 -0.917 . . . . 0.44 110.112 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.531 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.0 m-85 -60.76 -49.18 78.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.149 -0.97 . . . . 0.29 109.137 -179.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -38.66 56.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.501 -0.749 . . . . 2.44 109.569 179.818 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.24 66.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 1.74 110.089 -179.518 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' B' ' 344' ' ' LEU . 35.2 mt -59.65 -33.69 71.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.993 -1.067 . . . . 0.3 108.939 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.0 t-20 -60.01 -54.07 50.32 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 1.22 109.801 179.773 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.78 -32.98 74.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.434 -0.792 . . . . 1.72 110.33 -179.497 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.43 -53.26 58.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.27 109.961 -179.635 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.818 HD22 ' NH1' ' C' ' 337' ' ' ARG . 51.8 mt -60.88 -43.15 98.83 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.29 109.741 -179.56 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.61 -35.71 76.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.202 -0.936 . . . . 1.91 109.713 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -65.69 -46.22 79.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.41 109.553 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -37.84 84.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.406 -0.809 . . . . 1.56 108.972 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.47 -33.76 68.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.602 -0.686 . . . . 1.43 109.625 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -48.77 68.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.66 109.483 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' B' ' 350' ' ' LEU . 24.3 mt-30 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.499 -0.751 . . . . 1.18 109.74 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.314 -0.624 . . . . 1.61 109.314 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.83 160.17 14.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.57 109.663 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.4 m-85 -138.77 -168.93 2.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.53 109.443 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.4 p -153.86 160.6 42.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.38 109.594 -179.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -149.35 130.31 14.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.872 . . . . 0.36 109.225 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -86.32 134.71 33.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.884 . . . . 1.36 109.51 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.662 HD12 ' HD1' ' B' ' 338' ' ' PHE . 48.4 mt -124.06 117.51 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.49 109.394 179.777 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 144.26 47.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.938 . . . . 2.1 109.412 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.22 136.3 7.32 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.528 -1.429 . . . . 0.44 109.528 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 68.7 ttt180 -81.38 -47.7 12.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.132 -1.216 . . . . 2.72 109.492 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -48.11 81.09 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.384 -0.822 . . . . 2.21 109.394 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 6.1 tpp180 -61.74 -42.4 98.92 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.406 -0.809 . . . . 2.79 109.799 -179.896 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.662 ' HD1' HD12 ' B' ' 332' ' ' ILE . 50.6 t80 -54.71 -49.02 71.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.257 -0.902 . . . . 0.45 109.484 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.15 -38.04 56.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.433 -0.792 . . . . 1.68 109.836 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.0 -47.03 86.59 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.355 -0.84 . . . . 0.43 110.212 -179.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.54 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.78 -49.24 78.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.28 109.124 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -38.8 56.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.384 -0.823 . . . . 2.52 109.536 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -52.46 65.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 110.09 -179.54 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' A' ' 344' ' ' LEU . 36.0 mt -59.53 -33.61 71.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.992 . . . . 0.31 108.987 -179.828 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.1 t-20 -60.11 -54.08 50.18 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.549 -0.719 . . . . 1.21 109.805 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -62.76 -32.99 74.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 1.69 110.279 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.4 -53.36 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.126 -0.984 . . . . 0.27 109.953 -179.624 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.784 HD22 HH12 ' D' ' 337' ' ' ARG . 51.8 mt -60.74 -43.07 98.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.3 109.715 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.77 -35.79 77.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 1.93 109.642 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -65.45 -46.45 79.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.4 109.529 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -37.83 84.63 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.308 -0.87 . . . . 1.59 109.049 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -57.31 -33.78 68.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.562 -0.712 . . . . 1.43 109.691 179.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -48.69 68.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.3 -0.875 . . . . 0.65 109.472 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.504 ' NE2' HD11 ' A' ' 350' ' ' LEU . 24.4 mt-30 . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.412 -0.805 . . . . 1.19 109.732 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.337 -0.616 . . . . 2.11 109.337 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.81 160.19 14.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.243 -0.911 . . . . 0.64 109.617 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 83.2 m-85 -138.8 -168.68 2.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.49 109.359 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.6 p -154.08 160.48 41.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.47 109.585 -179.84 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.3 tp -149.33 130.17 14.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.294 -0.879 . . . . 0.42 109.392 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.75 33.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 1.81 109.517 -179.898 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' C' ' 338' ' ' PHE . 47.6 mt -123.99 117.31 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.42 109.333 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 144.49 47.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 2.35 109.367 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.01 136.27 7.21 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 0.41 109.603 -179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 68.9 ttt180 -81.27 -47.61 13.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -1.177 . . . . 2.59 109.486 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -47.84 82.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.924 . . . . 2.54 109.498 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.818 ' NH1' HD22 ' A' ' 348' ' ' LEU . 5.9 tpp180 -62.03 -42.38 99.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.269 -0.894 . . . . 3.39 109.635 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.642 ' HD1' HD12 ' C' ' 332' ' ' ILE . 50.9 t80 -54.58 -48.91 71.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.262 -0.898 . . . . 0.47 109.571 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -52.23 -38.18 57.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 1.66 109.823 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.02 -46.8 87.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.21 -0.931 . . . . 0.61 110.185 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.547 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.0 m-85 -60.8 -49.23 78.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.33 109.163 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -38.81 56.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.473 -0.767 . . . . 3.28 109.605 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -52.14 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 1.78 110.155 -179.566 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 344' ' ' LEU . 34.9 mt -59.85 -33.56 71.95 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.115 -0.991 . . . . 0.38 108.915 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.04 -54.03 50.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.516 -0.74 . . . . 1.2 109.781 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.84 -32.97 74.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.372 -0.83 . . . . 2.12 110.31 -179.42 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.47 -53.28 58.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.06 -1.025 . . . . 0.26 109.951 -179.615 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 52.8 mt -60.83 -43.24 98.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.244 -0.91 . . . . 0.4 109.65 -179.583 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.67 -35.54 76.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 2.09 109.63 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -65.66 -46.51 78.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.75 109.503 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -37.78 84.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.436 -0.79 . . . . 2.19 108.996 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.49 -33.8 68.4 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.438 -0.789 . . . . 1.34 109.576 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -48.87 68.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.72 109.378 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.579 ' NE2' HD11 ' D' ' 350' ' ' LEU . 24.2 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.418 -0.801 . . . . 1.8 109.772 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.315 -0.624 . . . . 1.67 109.315 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -94.69 160.2 14.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.193 -0.942 . . . . 0.61 109.684 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.0 m-85 -138.88 -168.88 2.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.359 -0.838 . . . . 0.56 109.428 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.85 160.69 42.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.43 109.554 -179.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.5 130.23 14.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.883 . . . . 0.35 109.303 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.67 33.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.24 -0.912 . . . . 1.37 109.609 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.65 HD12 ' HD1' ' D' ' 338' ' ' PHE . 47.9 mt -124.09 117.47 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -0.91 . . . . 0.48 109.264 179.891 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 144.35 47.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.923 . . . . 2.08 109.4 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.21 136.34 7.34 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.616 -1.394 . . . . 0.4 109.616 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 68.8 ttt180 -81.42 -47.56 13.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -1.153 . . . . 2.64 109.437 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.383 -0.823 . . . . 2.22 109.446 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.784 HH12 HD22 ' B' ' 348' ' ' LEU . 6.0 tpp180 -61.69 -42.42 98.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.446 -0.784 . . . . 2.74 109.772 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.65 ' HD1' HD12 ' D' ' 332' ' ' ILE . 50.5 t80 -54.64 -49.07 71.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.286 -0.884 . . . . 0.43 109.453 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.16 -38.22 56.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 1.69 109.815 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -61.93 -46.85 87.52 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.194 -0.941 . . . . 0.43 110.15 -179.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.8 -49.27 78.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 0.27 109.221 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -38.77 56.55 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.431 -0.793 . . . . 2.45 109.585 179.749 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -52.21 66.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.75 110.114 -179.525 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' C' ' 344' ' ' LEU . 36.2 mt -59.76 -33.55 71.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.09 -1.006 . . . . 0.31 108.939 -179.825 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.448 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.1 t-20 -60.07 -54.07 50.3 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.512 -0.742 . . . . 1.22 109.775 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -62.81 -32.95 74.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.509 -0.744 . . . . 1.73 110.249 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.36 -53.34 57.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.28 110.023 -179.668 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 52.6 mt -60.87 -43.03 98.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.31 109.661 -179.537 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.7 -35.75 77.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -0.94 . . . . 1.91 109.653 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.713 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.37 -46.52 79.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.43 109.557 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.37 -37.67 84.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.83 . . . . 1.57 108.942 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.41 -33.81 68.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.547 -0.72 . . . . 1.44 109.744 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.75 68.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 0.64 109.534 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.431 ' NE2' HD11 ' C' ' 350' ' ' LEU . 24.3 mt-30 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.382 -0.824 . . . . 1.21 109.763 -179.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.283 0.563 . . . . 1.7 109.732 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.78 146.99 23.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 0.61 109.099 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.9 m-85 -140.41 -169.97 2.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.158 -0.964 . . . . 0.58 109.804 -179.718 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.9 p -153.15 165.04 36.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.42 109.417 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' C' ' 345' ' ' ASN . 13.4 tp -149.89 133.39 16.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.36 109.576 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.1 130.7 34.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.37 109.39 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.7 mt -123.95 118.99 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.106 -0.997 . . . . 0.47 109.667 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.82 151.67 40.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 2.1 109.57 179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.78 138.53 7.06 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.841 -1.303 . . . . 0.42 109.841 179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 6.3 ttt180 -82.59 -58.02 3.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -1.127 . . . . 2.68 109.473 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -43.01 87.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.203 -0.936 . . . . 2.22 109.256 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -41.82 97.71 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.241 -0.912 . . . . 2.77 109.342 179.846 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.5 t80 -54.82 -57.14 12.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.45 -0.781 . . . . 0.43 109.527 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.01 -30.78 16.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 1.66 109.685 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.44 -50.85 68.12 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.105 -0.997 . . . . 0.44 109.863 -179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.553 ' HB2' HD13 ' A' ' 332' ' ' ILE . 23.5 m-85 -61.44 -50.55 72.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 0.29 109.175 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -51.08 -36.3 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.852 . . . . 2.44 109.204 179.59 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.38 -49.43 77.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 1.74 109.707 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 344' ' ' LEU . 60.0 mt -61.28 -33.7 73.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -0.895 . . . . 0.3 108.881 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.505 ' HB2' HD21 ' C' ' 330' ' ' LEU . 17.3 t-20 -59.0 -55.08 39.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.465 -0.772 . . . . 1.22 109.414 179.477 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.94 -27.36 69.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 1.72 109.856 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -57.43 12.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 0.27 110.123 -179.517 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.7 -40.93 94.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.29 109.579 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 18.9 mt-10 -59.41 -36.45 75.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.91 109.425 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.562 HD21 ' NE2' ' B' ' 354' ' ' GLN . 11.2 tp -64.95 -40.14 94.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.41 109.382 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.84 -50.86 70.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.433 -0.792 . . . . 1.56 109.067 179.781 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.32 -31.07 63.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.595 -0.691 . . . . 1.43 109.745 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.85 89.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 0.66 109.827 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' B' ' 350' ' ' LEU . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.18 109.748 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.205 0.526 . . . . 1.61 109.672 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -94.76 147.02 23.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.57 109.042 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -140.37 -169.94 2.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.125 -0.984 . . . . 0.53 109.81 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.7 p -153.25 165.07 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.38 109.403 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' D' ' 345' ' ' ASN . 13.4 tp -149.83 133.61 16.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.64 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 130.66 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.856 . . . . 1.36 109.38 179.754 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.0 mt -124.0 119.03 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.166 -0.959 . . . . 0.49 109.592 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.76 151.7 40.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 2.1 109.546 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 138.61 7.08 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.819 -1.312 . . . . 0.44 109.819 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 6.3 ttt180 -82.69 -58.05 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -1.116 . . . . 2.72 109.34 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.23 -43.01 87.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.899 . . . . 2.21 109.246 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -41.81 97.77 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 2.79 109.226 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.6 t80 -54.79 -57.16 12.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.487 -0.758 . . . . 0.45 109.468 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.07 -30.72 16.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 1.68 109.662 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.51 -50.87 67.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.249 -0.907 . . . . 0.43 109.847 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.55 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.5 m-85 -61.46 -50.41 72.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.189 -0.945 . . . . 0.28 109.155 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.489 ' NH1' ' HG2' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -51.19 -36.31 40.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 2.52 109.265 179.576 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.38 -49.44 77.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.255 -0.903 . . . . 1.75 109.668 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 344' ' ' LEU . 59.5 mt -61.14 -33.76 73.92 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.31 108.908 179.775 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 17.4 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.477 -0.764 . . . . 1.21 109.269 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.83 -27.4 69.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 1.69 109.841 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.08 -57.33 12.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.27 110.129 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.81 -40.91 94.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.3 109.613 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 18.8 mt-10 -59.41 -36.27 75.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.216 -0.927 . . . . 1.93 109.526 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.57 HD21 ' NE2' ' A' ' 354' ' ' GLN . 11.2 tp -65.03 -40.09 94.33 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.4 109.349 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.01 -50.7 70.99 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.452 -0.78 . . . . 1.59 109.001 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.49 -30.97 63.59 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.661 -0.649 . . . . 1.43 109.689 179.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.892 . . . . 0.65 109.824 -179.585 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.562 ' NE2' HD21 ' A' ' 350' ' ' LEU . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.173 -0.954 . . . . 1.19 109.734 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.147 0.498 . . . . 2.11 109.752 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.87 147.13 23.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 0.64 109.024 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.3 m-85 -140.47 -169.98 2.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.49 109.867 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.7 p -153.2 165.03 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.291 -0.881 . . . . 0.47 109.46 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.4 tp -149.81 133.54 16.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.146 -0.972 . . . . 0.42 109.613 -179.593 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.36 130.69 34.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 1.81 109.33 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.9 mt -123.96 118.94 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.63 151.74 40.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 2.35 109.565 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.73 138.57 7.05 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 6.3 ttt180 -82.71 -58.01 3.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -1.107 . . . . 2.59 109.401 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 -42.93 87.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.54 109.204 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -41.76 97.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.326 -0.859 . . . . 3.39 109.292 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' C' ' 332' ' ' ILE . 34.6 t80 -54.83 -57.19 12.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.784 . . . . 0.47 109.479 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.14 -30.65 17.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.66 109.689 -179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.48 -50.84 68.08 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.162 -0.961 . . . . 0.61 109.865 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.4 -50.47 72.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.33 109.207 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.467 ' HG2' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -51.15 -36.25 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 3.28 109.303 179.542 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.52 -49.25 78.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.881 . . . . 1.78 109.644 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' D' ' 344' ' ' LEU . 59.4 mt -61.38 -33.62 73.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.38 108.876 179.763 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.493 ' HB2' HD21 ' A' ' 330' ' ' LEU . 17.4 t-20 -59.09 -55.1 39.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.442 -0.786 . . . . 1.2 109.36 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.92 -27.44 69.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.448 -0.783 . . . . 2.12 109.833 -179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.99 -57.32 13.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 0.26 110.198 -179.56 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.81 -40.84 94.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.111 -0.993 . . . . 0.4 109.643 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 18.8 mt-10 -59.45 -36.41 75.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 2.09 109.433 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.527 HD21 ' NE2' ' D' ' 354' ' ' GLN . 11.2 tp -64.97 -40.16 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.795 . . . . 0.75 109.307 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -50.66 71.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.448 -0.783 . . . . 2.19 109.082 179.789 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.54 -30.89 63.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.639 -0.663 . . . . 1.34 109.777 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 0.72 109.854 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.646 ' NE2' HD21 ' D' ' 350' ' ' LEU . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.8 109.76 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.195 0.521 . . . . 1.67 109.681 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -94.86 147.05 23.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.905 . . . . 0.61 109.092 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.0 m-85 -140.39 -169.96 2.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.055 -1.028 . . . . 0.56 109.789 -179.623 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.8 p -153.24 164.88 37.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.43 109.391 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.4 tp -149.77 133.6 16.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.35 109.627 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.26 130.64 34.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.28 -0.888 . . . . 1.37 109.333 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.556 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.1 mt -124.06 118.89 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.97 . . . . 0.48 109.652 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.66 151.7 40.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 2.08 109.582 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.41 7.04 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.72 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 6.3 ttt180 -82.64 -57.99 3.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -1.053 . . . . 2.64 109.417 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -42.91 87.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.22 109.268 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.77 97.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.335 -0.853 . . . . 2.74 109.337 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' HD1' HD12 ' D' ' 332' ' ' ILE . 34.6 t80 -54.75 -57.12 12.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.524 -0.735 . . . . 0.43 109.57 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.12 -30.66 16.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 1.69 109.668 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.59 -51.0 67.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.149 -0.969 . . . . 0.43 109.681 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.556 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.39 -50.46 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.27 109.202 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.477 ' NH1' ' HG2' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -51.05 -36.38 39.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.443 -0.786 . . . . 2.45 109.308 179.495 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.3 -49.47 77.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 1.75 109.718 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' C' ' 344' ' ' LEU . 59.8 mt -61.21 -33.84 74.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.262 -0.899 . . . . 0.31 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.529 ' HB2' HD21 ' B' ' 330' ' ' LEU . 17.3 t-20 -58.85 -55.23 37.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.539 -0.726 . . . . 1.22 109.367 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.86 -27.4 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 1.73 109.83 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.02 -57.45 12.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.28 110.116 -179.475 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.73 -40.89 94.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.31 109.659 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 18.9 mt-10 -59.34 -36.42 75.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.14 -0.975 . . . . 1.91 109.548 179.833 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.646 HD21 ' NE2' ' C' ' 354' ' ' GLN . 11.2 tp -64.99 -40.15 94.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.315 -0.866 . . . . 0.43 109.335 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.77 70.94 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.442 -0.786 . . . . 1.57 109.08 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.742 -0.599 . . . . 1.44 109.69 179.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.67 89.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 0.64 109.822 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD21 ' C' ' 350' ' ' LEU . 6.9 mt-30 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.15 -0.969 . . . . 1.21 109.689 -179.827 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.508 -0.553 . . . . 1.7 109.508 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 11.9 m-85 -94.51 155.89 16.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.61 109.509 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.5 m-85 -140.11 -170.39 2.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.58 109.679 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.0 p -153.89 155.45 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.42 109.388 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -148.98 131.94 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.36 109.445 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.5 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.337 -0.852 . . . . 1.37 109.196 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.0 mt -123.99 116.76 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.47 109.695 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.04 148.68 41.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 2.1 109.612 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.11 8.19 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.704 -1.359 . . . . 0.42 109.704 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.0 ttt-85 -77.63 -56.06 4.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.35 -1.088 . . . . 2.68 109.384 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.21 88.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 2.22 109.423 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.62 -45.42 92.0 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.312 -0.868 . . . . 2.77 109.686 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.57 ' HD1' HD12 ' A' ' 332' ' ' ILE . 33.6 t80 -54.5 -57.42 11.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.347 -0.845 . . . . 0.43 109.429 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.31 -36.71 43.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 1.66 109.96 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.91 -47.59 82.61 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.271 -0.893 . . . . 0.44 110.1 -179.449 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -61.79 -53.93 49.3 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.272 -0.892 . . . . 0.29 109.257 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.3 -37.52 36.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.4 -0.813 . . . . 2.44 109.536 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.74 -45.17 95.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 1.74 109.693 -179.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.46 -43.76 98.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.3 109.377 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' C' ' 330' ' ' LEU . 42.4 t-20 -57.26 -46.88 82.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.299 -0.876 . . . . 1.22 109.697 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.0 -35.96 80.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.72 109.736 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.06 -50.01 75.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.263 -0.898 . . . . 0.27 110.129 -179.559 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.97 -42.31 98.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.29 109.674 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.99 -39.47 85.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 1.91 109.906 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.85 HD11 ' OE1' ' B' ' 354' ' ' GLN . 13.3 tp -63.74 -44.47 93.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.41 109.677 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -61.37 -39.28 90.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 1.56 109.137 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.61 -37.08 70.18 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.53 -0.731 . . . . 1.43 109.877 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.75 87.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.855 . . . . 0.66 109.386 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.825 ' OE1' HD11 ' B' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.18 109.559 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.549 -0.537 . . . . 1.61 109.549 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.43 155.89 16.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.57 109.513 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 64.3 m-85 -140.22 -170.57 3.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.53 109.659 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 38.9 p -153.81 155.49 35.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.38 109.398 -179.833 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -148.93 131.82 16.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.286 -0.884 . . . . 0.36 109.451 -179.741 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.65 33.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 1.36 109.185 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.603 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.8 mt -123.98 116.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.182 -0.949 . . . . 0.49 109.608 -179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -74.21 148.84 41.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.348 -0.845 . . . . 2.1 109.584 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.21 136.98 8.06 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.834 -1.306 . . . . 0.44 109.834 179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.0 ttt-85 -77.54 -56.07 4.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -1.129 . . . . 2.72 109.418 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.97 88.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.869 . . . . 2.21 109.481 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.244 -0.91 . . . . 2.79 109.702 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.567 ' HD1' HD12 ' B' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.39 11.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.45 109.449 -179.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -51.3 -36.68 43.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.68 109.975 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.178 -0.951 . . . . 0.43 110.092 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.5 m-85 -61.8 -53.84 50.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 0.28 109.264 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.34 -37.49 37.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.358 -0.839 . . . . 2.52 109.611 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.59 -45.28 94.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 1.75 109.704 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.31 109.433 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' D' ' 330' ' ' LEU . 42.4 t-20 -57.31 -46.94 82.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.21 109.605 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.85 -36.1 80.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.69 109.714 -179.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.02 -50.1 75.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.378 -0.826 . . . . 0.27 110.12 -179.525 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.93 -42.25 97.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.3 109.724 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.91 -39.66 86.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.93 109.767 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.825 HD11 ' OE1' ' A' ' 354' ' ' GLN . 13.3 tp -63.69 -44.48 93.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.4 109.673 -179.676 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.42 -39.15 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.426 -0.796 . . . . 1.59 109.106 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.67 -37.13 70.41 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.571 -0.706 . . . . 1.43 109.782 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.81 87.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.65 109.405 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.85 ' OE1' HD11 ' A' ' 350' ' ' LEU . 21.3 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.35 -0.844 . . . . 1.19 109.566 179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.292 0.568 . . . . 2.11 109.479 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.52 155.92 16.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.64 109.577 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.4 m-85 -140.2 -170.53 2.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.958 . . . . 0.49 109.646 -179.895 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 38.5 p -153.82 155.44 35.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.47 109.367 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -148.9 131.89 16.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.42 109.494 -179.809 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.71 33.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -0.882 . . . . 1.81 109.134 179.809 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.611 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.4 mt -124.02 116.73 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.42 109.742 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.06 148.65 41.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 2.35 109.572 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.07 8.17 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.716 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt-85 -77.59 -56.23 4.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.26 -1.141 . . . . 2.59 109.365 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.09 87.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 2.54 109.472 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.84 -45.3 92.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.393 -0.817 . . . . 3.39 109.631 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.557 ' HD1' HD12 ' C' ' 332' ' ' ILE . 33.7 t80 -54.55 -57.43 11.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.47 109.474 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.16 -36.74 42.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.66 109.99 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.97 -47.58 82.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.252 -0.905 . . . . 0.61 110.033 -179.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.611 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.4 m-85 -61.94 -53.82 50.41 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.187 -0.945 . . . . 0.33 109.248 -179.865 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -50.3 -37.49 36.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.314 -0.866 . . . . 3.28 109.587 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.73 -45.13 95.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.107 -0.995 . . . . 1.78 109.696 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.68 -43.53 98.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.38 109.351 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 330' ' ' LEU . 42.5 t-20 -57.35 -46.93 82.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 1.2 109.573 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -36.12 80.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.354 -0.841 . . . . 2.12 109.803 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.99 -50.07 75.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.26 110.128 -179.571 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.9 -42.34 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.4 109.652 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.92 -39.6 86.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.29 -0.881 . . . . 2.09 109.841 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.794 HD11 ' OE1' ' D' ' 354' ' ' GLN . 13.3 tp -63.66 -44.49 93.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.75 109.714 -179.715 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.38 -39.17 89.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.362 -0.837 . . . . 2.19 109.177 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.66 -37.05 70.28 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.546 -0.721 . . . . 1.34 109.864 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.86 87.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.72 109.479 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.766 ' OE1' HD11 ' D' ' 350' ' ' LEU . 21.5 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.331 -0.856 . . . . 1.8 109.597 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.438 -0.578 . . . . 1.67 109.438 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 11.8 m-85 -94.57 155.96 16.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.61 109.501 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.6 m-85 -140.23 -170.51 2.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -0.945 . . . . 0.56 109.637 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.0 p -153.81 155.41 35.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 0.43 109.369 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -148.92 131.9 16.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.35 109.484 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 31.7 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 1.37 109.13 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.3 mt -123.98 116.72 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.48 109.709 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -74.0 148.76 41.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.347 -0.846 . . . . 2.08 109.564 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.33 136.96 8.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.76 -1.336 . . . . 0.4 109.76 179.668 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 2.0 ttt-85 -77.54 -56.12 4.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.228 -1.16 . . . . 2.64 109.412 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -43.04 88.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.35 -0.844 . . . . 2.22 109.42 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.71 -45.43 92.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.3 -0.875 . . . . 2.74 109.687 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.37 11.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.43 109.486 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.22 -36.83 43.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.317 -0.865 . . . . 1.69 109.95 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.8 -47.7 82.32 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.43 110.104 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.617 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -61.74 -53.91 49.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.27 109.178 -179.866 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.39 -37.45 37.65 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.433 -0.792 . . . . 2.45 109.546 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.64 -45.25 94.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.22 -0.925 . . . . 1.75 109.632 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.63 -43.54 98.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.167 -0.958 . . . . 0.31 109.42 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.4 ' HB2' HD21 ' B' ' 330' ' ' LEU . 42.3 t-20 -57.3 -46.96 82.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.22 109.668 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.86 -36.02 79.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 1.73 109.813 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.06 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 0.28 110.112 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.92 -42.42 98.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.31 109.676 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -59.94 -39.57 85.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 1.91 109.85 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.766 HD11 ' OE1' ' C' ' 354' ' ' GLN . 13.3 tp -63.6 -44.49 93.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.43 109.712 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.47 -39.2 90.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.339 -0.851 . . . . 1.57 109.096 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.58 -37.12 70.17 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.471 -0.768 . . . . 1.44 109.866 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.82 87.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.64 109.342 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.794 ' OE1' HD11 ' C' ' 350' ' ' LEU . 21.5 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.347 -0.846 . . . . 1.21 109.637 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.369 0.604 . . . . 1.7 109.622 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.4 m-85 -93.55 155.37 17.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.61 109.401 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.0 m-85 -139.26 -170.13 2.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.58 109.572 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.5 p -153.52 160.72 42.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.271 -0.893 . . . . 0.42 109.561 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -149.12 133.18 17.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.272 -0.893 . . . . 0.36 109.432 -179.79 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -85.88 130.87 34.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.253 -0.905 . . . . 1.37 109.647 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 341' ' ' PHE . 58.6 mt -123.93 120.44 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.47 109.488 179.77 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.57 152.95 40.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 2.1 109.525 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.14 137.02 3.86 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.802 -1.319 . . . . 0.42 109.802 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttp180 -82.98 -52.07 7.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -1.118 . . . . 2.68 109.407 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.13 -46.75 85.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 2.22 109.241 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.67 -40.06 90.7 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.327 -0.858 . . . . 2.77 109.325 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' C' ' 329' ' ' THR . 55.8 t80 -55.38 -54.95 37.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.395 -0.815 . . . . 0.43 109.658 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.4 -36.02 30.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.331 -0.856 . . . . 1.66 109.971 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -62.7 -47.86 81.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.158 -0.964 . . . . 0.44 109.928 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.359 -0.838 . . . . 0.29 109.306 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.34 -36.75 44.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.875 . . . . 2.44 109.639 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.17 -50.01 75.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.045 -1.034 . . . . 1.74 109.712 -179.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' B' ' 344' ' ' LEU . 55.6 mt -61.07 -34.22 74.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.3 108.849 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.595 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.9 t-20 -59.24 -55.09 39.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.441 -0.787 . . . . 1.22 109.559 179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.13 -28.24 69.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.785 . . . . 1.72 109.807 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.77 -52.53 65.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.136 -0.978 . . . . 0.27 110.1 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.09 -41.23 96.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.249 -0.907 . . . . 0.29 109.639 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.44 -36.94 76.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 1.91 109.538 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.75 HD11 HE21 ' B' ' 354' ' ' GLN . 4.8 tp -64.35 -45.08 89.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.284 -0.885 . . . . 0.41 109.718 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.8 -38.86 89.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.247 -0.908 . . . . 1.56 109.136 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.1 -34.41 65.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 1.43 109.621 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.68 70.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.347 -0.846 . . . . 0.66 109.589 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.604 HE21 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.18 109.783 -179.876 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.294 0.569 . . . . 1.61 109.632 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.7 m-85 -93.54 155.4 17.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 0.57 109.337 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -139.24 -170.03 2.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.53 109.579 -179.897 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.483 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.5 p -153.59 160.63 42.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.144 -0.973 . . . . 0.38 109.546 -179.823 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -149.11 133.21 17.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.36 109.408 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 36.3 tt0 -85.9 131.05 34.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 1.36 109.64 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.449 HD13 ' HB2' ' B' ' 341' ' ' PHE . 59.0 mt -124.02 120.46 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.211 -0.931 . . . . 0.49 109.451 179.774 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.66 152.86 40.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.249 -0.907 . . . . 2.1 109.526 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.28 136.95 3.92 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.81 -1.316 . . . . 0.44 109.81 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 18.2 ttp180 -82.96 -52.16 6.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.343 -1.092 . . . . 2.72 109.384 179.852 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.93 -46.94 84.25 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 2.21 109.205 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.52 -40.23 90.71 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.339 -0.851 . . . . 2.79 109.341 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' D' ' 329' ' ' THR . 55.9 t80 -55.29 -54.93 37.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.45 109.721 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.42 -36.03 31.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.813 . . . . 1.68 109.91 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.58 -47.9 81.79 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.122 -0.986 . . . . 0.43 109.977 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.449 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.9 m-85 -61.3 -51.31 69.41 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.159 -0.963 . . . . 0.28 109.254 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.44 -36.76 45.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 2.52 109.599 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.13 -49.97 75.53 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.942 . . . . 1.75 109.752 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 344' ' ' LEU . 55.5 mt -60.99 -34.33 74.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.31 108.919 179.743 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.9 t-20 -59.16 -55.16 38.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.427 -0.795 . . . . 1.21 109.519 179.644 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.09 -28.2 69.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 1.69 109.821 -179.716 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.87 -52.47 65.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.27 110.053 -179.651 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.13 -41.14 96.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.84 . . . . 0.3 109.676 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.4 -37.01 76.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.898 . . . . 1.93 109.554 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.62 HD23 HD23 ' A' ' 350' ' ' LEU . 4.8 tp -64.31 -45.08 89.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.429 -0.794 . . . . 0.4 109.78 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.72 -38.9 89.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.333 -0.854 . . . . 1.59 109.178 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.08 -34.49 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.461 -0.775 . . . . 1.43 109.572 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -47.69 70.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.65 109.533 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.75 HE21 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 1.19 109.795 -179.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.322 0.582 . . . . 2.11 109.557 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.4 m-85 -93.61 155.39 17.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.282 -0.887 . . . . 0.64 109.34 179.897 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.3 m-85 -139.23 -170.04 2.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.159 -0.963 . . . . 0.49 109.632 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.8 p -153.56 160.69 42.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.47 109.586 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -149.12 133.16 17.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.42 109.448 -179.748 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -86.01 130.92 34.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.81 109.624 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' C' ' 341' ' ' PHE . 58.2 mt -123.9 120.34 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.42 109.533 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.92 40.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.176 -0.953 . . . . 2.35 109.589 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 136.99 3.84 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.857 -1.297 . . . . 0.41 109.857 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.0 ttp180 -83.0 -51.98 7.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -1.118 . . . . 2.59 109.49 179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.0 -46.78 84.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 2.54 109.324 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.74 -40.13 91.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.327 -0.858 . . . . 3.39 109.338 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 55.9 t80 -55.37 -54.88 38.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.406 -0.808 . . . . 0.47 109.746 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -35.98 30.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.298 -0.876 . . . . 1.66 109.992 -179.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.64 -47.82 82.03 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.14 -0.975 . . . . 0.61 109.982 -179.618 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.444 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.38 -51.17 69.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.33 109.301 -179.895 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.5 -36.73 45.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 3.28 109.696 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 1.78 109.734 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' D' ' 344' ' ' LEU . 55.4 mt -60.96 -34.39 74.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.38 108.846 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.575 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.9 t-20 -59.19 -55.08 39.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.432 -0.793 . . . . 1.2 109.521 179.707 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.13 -28.22 69.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 2.12 109.828 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -52.41 65.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.26 110.095 -179.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.06 -41.33 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.4 109.645 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.27 -37.06 76.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 2.09 109.53 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.764 HD11 HE21 ' D' ' 354' ' ' GLN . 4.8 tp -64.28 -45.03 89.83 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.343 -0.848 . . . . 0.75 109.769 -179.839 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.78 -38.85 89.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 2.19 109.166 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.1 -34.39 65.97 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.463 -0.773 . . . . 1.34 109.622 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -47.76 69.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.308 -0.87 . . . . 0.72 109.56 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.625 HE21 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 1.8 109.706 -179.819 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.33 0.586 . . . . 1.67 109.581 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 13.2 m-85 -93.69 155.44 17.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.61 109.3 179.858 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 67.0 m-85 -139.29 -170.12 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.018 . . . . 0.56 109.554 -179.747 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.6 p -153.42 160.78 42.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.43 109.618 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -149.22 133.17 17.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.35 109.393 -179.816 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.96 130.98 34.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.311 -0.868 . . . . 1.37 109.666 -179.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 58.4 mt -123.99 120.46 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.925 . . . . 0.48 109.472 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.91 40.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.215 -0.928 . . . . 2.08 109.601 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.17 137.0 3.87 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 18.1 ttp180 -83.01 -52.16 6.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.345 -1.091 . . . . 2.64 109.315 179.871 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.89 -46.98 84.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 2.22 109.313 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.51 -40.1 90.18 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.409 -0.807 . . . . 2.74 109.462 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.0 t80 -55.33 -54.97 36.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.43 109.731 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -36.06 30.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 1.69 109.91 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.56 -48.03 81.26 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.193 -0.942 . . . . 0.43 109.816 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.23 -51.28 69.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.27 109.31 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.44 -36.66 44.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 2.45 109.736 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.12 -50.1 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 1.75 109.729 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' C' ' 344' ' ' LEU . 55.4 mt -60.89 -34.34 74.5 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.205 -0.935 . . . . 0.31 108.905 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.0 t-20 -59.22 -55.18 38.15 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.382 -0.824 . . . . 1.22 109.51 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.95 -28.3 69.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.482 -0.761 . . . . 1.73 109.909 -179.795 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -52.49 65.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.103 -0.998 . . . . 0.28 110.068 -179.592 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.08 -41.22 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.31 109.706 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -37.03 76.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.91 109.454 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.728 HD23 HD23 ' C' ' 350' ' ' LEU . 4.8 tp -64.33 -45.13 89.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.21 -0.932 . . . . 0.43 109.657 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.66 -38.98 89.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 1.57 109.223 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.04 -34.51 65.96 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.414 -0.804 . . . . 1.44 109.545 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.77 70.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.64 109.607 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.764 HE21 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 1.21 109.67 -179.808 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.423 -0.584 . . . . 1.7 109.423 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -93.11 156.93 16.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.61 109.582 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.2 m-85 -138.89 -169.08 2.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.58 109.574 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.31 158.24 41.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.42 109.368 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.9 tp -148.67 134.83 19.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.36 109.51 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -86.66 129.47 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.348 -0.845 . . . . 1.37 109.514 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 338' ' ' PHE . 34.5 mt -123.97 115.32 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.47 109.611 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 149.25 41.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 2.1 109.468 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.13 137.76 6.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 10.7 ttm180 -83.91 -51.54 7.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -1.198 . . . . 2.68 109.475 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.63 -46.24 87.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 2.22 109.654 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.51 -42.21 95.94 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.331 -0.855 . . . . 2.77 109.529 -179.718 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.2 t80 -55.56 -52.82 62.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.43 109.773 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.19 -37.06 44.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.252 -0.905 . . . . 1.66 110.174 -179.537 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.83 -48.2 80.1 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.127 -0.983 . . . . 0.44 110.026 -179.289 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.93 -49.0 79.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.29 109.345 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.49 -40.84 60.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 2.44 109.7 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 1.74 109.87 -179.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' B' ' 344' ' ' LEU . 65.5 mt -62.77 -46.31 88.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.269 -0.894 . . . . 0.3 109.577 -179.726 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -57.97 -46.94 84.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.339 -0.85 . . . . 1.22 109.648 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -34.37 76.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.72 109.827 -179.619 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -53.43 57.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.27 109.856 -179.667 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.01 -40.33 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.29 109.513 -179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.11 -35.98 76.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -0.851 . . . . 1.91 109.474 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.36 -44.01 92.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 0.41 109.279 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 3.4 ttmm -61.41 -43.32 99.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 1.56 108.863 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.15 -30.24 64.27 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 1.43 109.388 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.28 -46.09 81.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.388 -0.82 . . . . 0.66 109.278 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.396 179.678 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.387 -0.597 . . . . 1.61 109.387 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.24 156.98 16.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.908 . . . . 0.57 109.552 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.9 m-85 -138.95 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.53 109.475 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.3 p -153.32 158.25 41.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.38 109.401 -179.838 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.61 134.81 19.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.36 109.571 -179.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.73 129.34 34.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 1.36 109.476 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' B' ' 338' ' ' PHE . 34.4 mt -123.87 115.49 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.49 109.672 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 149.36 41.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 2.1 109.468 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.03 137.83 6.89 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.78 -1.328 . . . . 0.44 109.78 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 10.7 ttm180 -83.95 -51.39 7.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -1.148 . . . . 2.72 109.516 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.86 -46.11 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.21 109.575 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.57 -42.12 95.99 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.253 -0.904 . . . . 2.79 109.564 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' B' ' 332' ' ' ILE . 76.5 t80 -55.55 -52.94 62.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.45 109.758 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.15 -37.09 44.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.68 110.166 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.81 -48.09 80.6 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.153 -0.967 . . . . 0.43 110.122 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -49.09 78.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.28 109.313 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.37 -40.98 60.3 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.312 -0.868 . . . . 2.52 109.667 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.41 -41.34 97.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.149 -0.969 . . . . 1.75 109.855 -179.756 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 344' ' ' LEU . 65.6 mt -62.74 -46.42 88.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.31 109.566 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -57.99 -46.74 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.385 -0.822 . . . . 1.21 109.77 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -34.31 76.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 1.69 109.803 -179.652 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.71 -53.42 57.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.27 109.837 -179.704 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.04 -40.35 93.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.3 109.571 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.06 -36.0 76.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.93 109.48 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.27 -44.12 92.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.295 -0.878 . . . . 0.4 109.266 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.32 99.06 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.41 -0.806 . . . . 1.59 108.97 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.23 -30.15 64.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.574 -0.704 . . . . 1.43 109.381 179.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.39 -45.97 81.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.42 -0.8 . . . . 0.65 109.344 -179.857 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 1.19 109.476 179.556 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.385 -0.598 . . . . 2.11 109.385 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.28 156.91 16.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.109 -0.994 . . . . 0.64 109.507 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.0 m-85 -138.84 -169.18 2.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 0.49 109.444 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -153.2 158.4 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.47 109.399 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.8 134.84 19.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.42 109.573 -179.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.4 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.356 -0.84 . . . . 1.81 109.454 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' C' ' 338' ' ' PHE . 34.7 mt -123.95 115.45 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.184 -0.948 . . . . 0.42 109.576 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 149.27 41.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 2.35 109.497 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.08 137.8 6.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 10.7 ttm180 -83.94 -51.44 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -1.119 . . . . 2.59 109.489 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.8 -46.21 88.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.865 . . . . 2.54 109.591 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.46 -42.17 95.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.284 -0.885 . . . . 3.39 109.632 -179.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.8 t80 -55.56 -52.9 62.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.372 -0.83 . . . . 0.47 109.765 -179.914 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.08 -37.18 44.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.88 . . . . 1.66 110.123 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.91 -48.01 80.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.098 -1.001 . . . . 0.61 110.118 -179.198 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.04 -48.87 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.115 -0.99 . . . . 0.33 109.412 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.43 -40.89 60.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 3.28 109.645 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.53 -41.29 97.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.186 -0.946 . . . . 1.78 109.841 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' D' ' 344' ' ' LEU . 65.6 mt -62.73 -46.34 88.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.38 109.562 -179.79 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -58.03 -46.86 84.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 1.2 109.762 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -34.57 76.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 2.12 109.885 -179.739 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.5 -53.5 56.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.301 -0.874 . . . . 0.26 109.916 -179.72 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.03 -40.37 93.32 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.306 -0.871 . . . . 0.4 109.543 -179.676 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.04 -36.05 76.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 2.09 109.412 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.31 -44.02 92.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.358 -0.839 . . . . 0.75 109.358 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.35 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.399 -0.813 . . . . 2.19 108.951 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.08 -30.36 64.25 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.624 -0.673 . . . . 1.34 109.388 179.462 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -45.99 82.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.483 -0.761 . . . . 0.72 109.432 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.23 -0.919 . . . . 1.8 109.369 179.672 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.414 -0.587 . . . . 1.67 109.414 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -93.07 157.05 16.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 0.61 109.536 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.0 m-85 -138.89 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.56 109.58 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.26 158.32 41.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.43 109.464 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.71 134.82 19.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.35 109.557 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.67 129.31 34.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.366 -0.834 . . . . 1.37 109.452 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' D' ' 338' ' ' PHE . 34.8 mt -123.92 115.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.48 109.634 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 149.25 41.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 2.08 109.509 179.784 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.16 137.79 6.95 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.717 -1.353 . . . . 0.4 109.717 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 10.7 ttm180 -83.92 -51.51 7.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 2.64 109.418 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.87 -46.05 88.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 2.22 109.502 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.6 -42.17 96.25 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.233 -0.917 . . . . 2.74 109.515 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.461 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.7 t80 -55.57 -52.8 62.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.449 -0.782 . . . . 0.43 109.799 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.13 -37.22 44.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 1.69 110.096 -179.509 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.79 -48.11 80.53 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.133 -0.98 . . . . 0.43 110.062 -179.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.13 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.27 109.276 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -51.54 -40.88 60.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.312 -0.868 . . . . 2.45 109.582 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -41.27 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 1.75 109.807 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -62.68 -46.48 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.135 -0.978 . . . . 0.31 109.552 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.03 -46.81 84.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.851 . . . . 1.22 109.705 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -34.33 76.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.73 109.941 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -53.34 58.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 0.28 109.875 -179.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.16 -40.28 93.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.866 . . . . 0.31 109.473 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.09 -36.03 76.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.87 . . . . 1.91 109.36 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.714 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.32 -44.02 92.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.43 109.296 -179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.38 98.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.346 -0.846 . . . . 1.57 108.942 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.07 -30.31 64.18 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.577 -0.702 . . . . 1.44 109.42 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.32 -45.94 82.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.379 -0.825 . . . . 0.64 109.371 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.21 109.384 179.579 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.165 -0.68 . . . . 1.7 109.165 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -92.05 155.06 18.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.977 . . . . 0.61 109.657 -179.675 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.5 m-85 -139.62 -168.97 2.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.389 -0.819 . . . . 0.58 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -152.87 160.16 43.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.138 -0.976 . . . . 0.42 109.527 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.2 tp -148.92 133.13 17.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.36 109.59 -179.816 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 16.1 tt0 -85.62 129.86 34.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.37 109.27 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.0 mt -123.34 110.9 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.47 109.593 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 145.15 46.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 2.1 109.383 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.33 8.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.61 -1.396 . . . . 0.42 109.61 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.8 OUTLIER -78.27 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 2.68 109.4 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.25 -40.14 81.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.22 109.571 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.25 -44.88 96.53 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.365 -0.835 . . . . 2.77 109.674 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CD1' HD12 ' A' ' 332' ' ' ILE . 48.5 t80 -54.87 -53.27 57.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 0.43 109.545 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -50.93 -34.27 27.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.318 -0.864 . . . . 1.66 109.793 -179.78 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 10.6 ttp -62.91 -49.01 76.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.118 -0.989 . . . . 0.44 109.885 -179.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -61.09 -53.42 57.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.151 -0.968 . . . . 0.29 109.234 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -51.01 -34.64 30.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.44 109.55 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 340' ' ' MET . 0.9 OUTLIER -60.01 -50.28 74.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 1.74 109.528 -179.857 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' B' ' 344' ' ' LEU . 49.0 mt -60.99 -34.2 74.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.3 108.855 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.735 . . . . 1.22 109.492 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.9 -31.3 72.33 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 1.72 109.872 -179.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.4 -56.71 17.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.318 -0.864 . . . . 0.27 110.045 -179.814 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.84 -41.64 96.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.29 109.696 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.85 -35.2 74.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.233 -0.917 . . . . 1.91 109.483 179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.9 -42.89 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 0.41 109.422 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 31.3 ttmt -61.16 -44.32 97.49 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.704 -0.85 . . . . 1.56 108.704 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.42 -32.79 67.23 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.579 -0.7 . . . . 1.43 109.457 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.54 75.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.66 109.56 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.463 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 O-C-N 121.229 -0.919 . . . . 1.18 109.384 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.166 -0.679 . . . . 1.61 109.166 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -92.1 154.95 18.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.57 109.671 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.7 m-85 -139.63 -168.98 2.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.353 -0.842 . . . . 0.53 109.348 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.4 p -152.8 160.25 43.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.169 -0.957 . . . . 0.38 109.537 -179.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.0 133.17 17.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.36 109.544 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.56 129.84 34.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.261 -0.9 . . . . 1.36 109.311 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.522 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.1 mt -123.48 110.83 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.169 -0.957 . . . . 0.49 109.607 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 145.04 46.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.1 109.375 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.3 8.43 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.636 -1.386 . . . . 0.44 109.636 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.579 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.8 OUTLIER -78.21 -61.56 1.96 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -1.078 . . . . 2.72 109.48 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.22 -40.37 81.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 2.21 109.547 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.06 -44.89 96.7 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.249 -0.907 . . . . 2.79 109.692 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CD1' HD12 ' B' ' 332' ' ' ILE . 48.9 t80 -54.84 -53.17 58.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.45 109.687 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.96 -34.35 28.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 1.68 109.777 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 10.6 ttp -62.83 -49.1 76.22 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.183 -0.948 . . . . 0.43 109.905 -179.61 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.4 m-85 -60.92 -53.51 56.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.28 109.25 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.6 30.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 2.52 109.451 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' B' ' 340' ' ' MET . 0.9 OUTLIER -59.99 -50.28 74.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 1.75 109.532 -179.895 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' A' ' 344' ' ' LEU . 48.9 mt -60.92 -34.34 74.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.31 108.878 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.9 -53.28 60.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.458 -0.776 . . . . 1.21 109.479 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.0 -31.04 72.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 1.69 109.87 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.71 -56.69 17.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.193 -0.942 . . . . 0.27 109.928 -179.741 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.8 -41.7 96.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.3 109.59 -179.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.84 -35.19 74.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.192 -0.943 . . . . 1.93 109.426 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.463 HD21 ' NE2' ' A' ' 354' ' ' GLN . 19.2 tp -65.97 -42.89 89.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.304 -0.873 . . . . 0.4 109.378 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.1 -44.3 97.56 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.791 -0.818 . . . . 1.59 108.791 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.51 -32.71 67.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.53 -0.731 . . . . 1.43 109.406 179.569 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.38 75.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.369 -0.832 . . . . 0.65 109.674 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.223 -0.923 . . . . 1.19 109.335 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.047 -0.723 . . . . 2.11 109.047 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -92.04 154.93 18.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.98 . . . . 0.64 109.666 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 86.4 m-85 -139.64 -168.98 2.6 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.306 -0.871 . . . . 0.49 109.401 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 40.6 p -152.84 160.05 43.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.47 109.472 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.2 tp -148.73 133.21 17.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 0.42 109.592 -179.866 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 16.0 tt0 -85.63 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 1.81 109.265 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.3 mt -123.36 110.92 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.42 109.623 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 145.17 46.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 2.35 109.305 179.813 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.43 134.33 8.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.8 OUTLIER -78.19 -61.5 1.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -1.165 . . . . 2.59 109.516 179.899 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.5 -40.13 81.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 2.54 109.439 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.2 -44.88 96.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 3.39 109.614 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 48.8 t80 -54.86 -53.26 57.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.398 -0.814 . . . . 0.47 109.582 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -50.94 -34.29 28.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.358 -0.839 . . . . 1.66 109.746 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 10.5 ttp -62.89 -49.09 76.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.215 -0.928 . . . . 0.61 109.876 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.0 -53.43 57.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.89 . . . . 0.33 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.62 30.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.351 -0.843 . . . . 3.28 109.474 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -59.98 -50.23 74.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.78 109.616 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' D' ' 344' ' ' LEU . 49.8 mt -60.99 -34.18 74.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.16 -0.963 . . . . 0.38 108.937 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 1.2 109.521 179.564 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.94 -31.1 72.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.372 -0.83 . . . . 2.12 109.812 -179.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.58 -56.88 15.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 0.26 109.935 -179.712 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.69 -41.68 95.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.4 109.696 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.82 -35.21 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -0.938 . . . . 2.09 109.514 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 19.2 tp -65.93 -42.88 89.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.324 -0.86 . . . . 0.75 109.41 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.14 -44.29 97.55 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.412 -0.805 . . . . 2.19 108.835 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.36 -32.88 67.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.612 -0.68 . . . . 1.34 109.48 179.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.47 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.72 109.647 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.175 -0.953 . . . . 1.8 109.252 179.924 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.098 -0.705 . . . . 1.67 109.098 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -92.19 154.97 18.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.61 109.659 -179.671 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.8 m-85 -139.58 -168.98 2.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.56 109.322 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.423 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.5 p -152.88 160.17 43.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.43 109.507 -179.87 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.96 133.12 17.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.395 -0.816 . . . . 0.35 109.54 -179.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.54 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 1.37 109.192 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.0 mt -123.43 110.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.48 109.561 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 144.99 46.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.354 -0.841 . . . . 2.08 109.392 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.49 134.37 8.45 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.574 -1.41 . . . . 0.4 109.574 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -78.24 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -1.111 . . . . 2.64 109.474 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -58.29 -40.44 81.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.367 -0.833 . . . . 2.22 109.468 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.0 -44.81 96.87 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.288 -0.882 . . . . 2.74 109.638 -179.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' D' ' 332' ' ' ILE . 48.6 t80 -54.92 -53.26 57.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.43 109.578 -179.826 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.87 -34.4 27.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 1.69 109.742 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 10.7 ttp -62.86 -48.91 77.0 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.251 -0.906 . . . . 0.43 109.941 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.13 -53.46 56.72 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.889 . . . . 0.27 109.212 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.02 -34.53 29.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 2.45 109.532 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' D' ' 340' ' ' MET . 0.9 OUTLIER -60.14 -50.32 74.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.75 109.517 -179.908 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -60.75 -34.37 74.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.31 108.894 179.737 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.07 -53.18 61.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.375 -0.828 . . . . 1.22 109.469 179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.89 -31.26 72.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 1.73 109.76 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.55 -56.79 16.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.109 -0.995 . . . . 0.28 109.955 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.67 -41.76 95.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.422 -0.799 . . . . 0.31 109.676 -179.68 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.75 -35.27 74.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -0.927 . . . . 1.91 109.467 179.873 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.441 HD21 ' NE2' ' C' ' 354' ' ' GLN . 19.1 tp -65.95 -42.89 89.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.329 -0.857 . . . . 0.43 109.372 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.441 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 31.4 ttmt -61.15 -44.28 97.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.756 -0.831 . . . . 1.57 108.756 179.816 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.44 -32.78 67.26 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.621 -0.674 . . . . 1.44 109.456 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.6 76.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 0.64 109.606 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 1.21 109.338 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.277 0.561 . . . . 1.7 109.497 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -93.26 155.81 17.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.61 109.336 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.8 m-85 -138.58 -169.68 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.58 109.631 -179.839 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.3 p -154.16 156.98 38.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.42 109.377 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -146.94 129.37 15.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.36 109.437 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 15.2 tt0 -86.41 135.36 33.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.83 . . . . 1.37 110.082 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.7 mt -123.56 119.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.393 -0.817 . . . . 0.47 109.263 179.526 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 146.49 45.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.211 -0.931 . . . . 2.1 109.731 -179.687 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 142.95 9.82 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.903 -1.279 . . . . 0.42 109.903 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.1 ttm180 -79.65 -51.18 9.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -1.054 . . . . 2.68 109.285 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.29 -41.03 83.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 2.22 109.334 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -45.19 85.91 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.259 -0.901 . . . . 2.77 109.678 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.56 ' HD1' HD12 ' A' ' 332' ' ' ILE . 47.0 t80 -55.87 -55.01 37.59 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.405 -0.809 . . . . 0.43 109.63 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.45 -38.13 41.84 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.252 -0.905 . . . . 1.66 110.103 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -63.88 -51.22 65.55 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.101 -0.999 . . . . 0.44 110.519 -179.276 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.1 m-85 -60.93 -55.32 34.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.06 -1.025 . . . . 0.29 109.467 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.46 -34.48 16.92 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.413 -0.805 . . . . 2.44 109.61 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.55 -49.9 75.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.103 -0.998 . . . . 1.74 109.375 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 344' ' ' LEU . 96.7 mt -61.87 -34.53 76.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.299 -0.875 . . . . 0.3 108.929 179.736 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.6 t-20 -58.93 -52.84 64.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.321 -0.862 . . . . 1.22 109.423 179.714 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -31.38 72.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.875 . . . . 1.72 109.813 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.98 -58.77 7.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.27 109.964 -179.721 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.42 -40.06 89.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.29 109.501 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.16 -34.62 72.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.344 -0.847 . . . . 1.91 109.051 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.737 HD21 ' NE2' ' B' ' 354' ' ' GLN . 10.5 tp -65.38 -39.87 92.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.406 -0.809 . . . . 0.41 108.963 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -46.41 89.21 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.926 -0.768 . . . . 1.56 108.926 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.06 -31.01 62.8 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.54 -0.725 . . . . 1.43 109.445 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.37 91.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.66 109.635 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.749 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.18 109.583 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.457 -0.571 . . . . 1.61 109.457 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -93.23 155.77 17.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.341 -0.849 . . . . 0.57 109.312 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 91.4 m-85 -138.5 -169.65 2.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.53 109.67 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -154.09 156.97 38.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -0.935 . . . . 0.38 109.49 -179.87 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.4 tp -146.96 129.47 15.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.36 109.338 -179.869 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 15.0 tt0 -86.51 135.42 33.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 1.36 109.963 -179.568 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.72 119.57 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.847 . . . . 0.49 109.099 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 146.39 46.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.126 -0.984 . . . . 2.1 109.732 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.79 143.0 9.77 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.884 -1.286 . . . . 0.44 109.884 179.703 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.1 ttm180 -79.69 -51.09 9.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.374 -1.074 . . . . 2.72 109.286 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.32 -41.06 83.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -0.806 . . . . 2.21 109.311 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.454 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.65 -45.1 85.95 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.233 -0.917 . . . . 2.79 109.78 179.936 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' B' ' 332' ' ' ILE . 47.2 t80 -55.8 -55.01 37.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.45 109.74 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -50.42 -38.22 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.68 110.055 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.84 -51.29 65.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.159 -0.963 . . . . 0.43 110.521 -179.321 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.9 m-85 -60.89 -55.43 33.1 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.148 -0.97 . . . . 0.28 109.408 -179.579 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.45 -34.46 16.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.52 109.535 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.44 -49.92 75.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.986 . . . . 1.75 109.484 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 344' ' ' LEU . 96.8 mt -61.97 -34.41 76.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.31 108.874 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.6 t-20 -59.05 -52.74 64.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.821 . . . . 1.21 109.511 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -31.45 72.63 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.69 109.758 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.94 -58.75 7.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.28 -0.887 . . . . 0.27 109.99 -179.715 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.44 -40.17 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.3 109.396 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.05 -34.67 72.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.382 -0.824 . . . . 1.93 109.096 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.749 HD21 ' NE2' ' A' ' 354' ' ' GLN . 10.5 tp -65.32 -39.88 93.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.348 -0.845 . . . . 0.4 109.01 179.686 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -46.49 88.97 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.969 -0.752 . . . . 1.59 108.969 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.08 -30.86 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.513 -0.742 . . . . 1.43 109.512 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.26 90.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.65 109.597 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.737 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 1.19 109.583 179.892 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.311 0.577 . . . . 2.11 109.499 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.12 155.76 17.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.234 -0.916 . . . . 0.64 109.413 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -138.49 -169.61 2.64 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.49 109.636 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.559 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.5 p -154.22 156.96 38.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.249 -0.907 . . . . 0.47 109.441 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.2 tp -146.98 129.4 15.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.42 109.305 -179.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 15.0 tt0 -86.49 135.39 33.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 1.81 110.014 -179.537 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' C' ' 341' ' ' PHE . 46.7 mt -123.63 119.57 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.431 -0.793 . . . . 0.42 109.197 179.584 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.47 45.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 2.35 109.7 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.77 142.92 9.7 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.809 -1.316 . . . . 0.41 109.809 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.2 ttm180 -79.58 -51.12 9.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -1.068 . . . . 2.59 109.377 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.28 -41.01 83.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.352 -0.843 . . . . 2.54 109.36 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.459 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -45.15 86.01 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.326 -0.859 . . . . 3.39 109.72 179.906 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' C' ' 332' ' ' ILE . 47.4 t80 -55.87 -55.09 36.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.47 109.618 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.34 -38.21 40.83 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.166 -0.959 . . . . 1.66 110.105 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.85 -51.23 65.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.109 -0.994 . . . . 0.61 110.57 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.5 m-85 -60.77 -55.5 32.44 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.141 -0.974 . . . . 0.33 109.468 -179.656 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.41 -34.46 16.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.452 -0.78 . . . . 3.28 109.552 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.66 -49.77 76.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.129 -0.982 . . . . 1.78 109.446 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' D' ' 344' ' ' LEU . 96.7 mt -61.96 -34.41 76.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 0.38 108.949 179.68 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.01 -52.82 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.332 -0.855 . . . . 1.2 109.424 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -31.38 72.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.406 -0.809 . . . . 2.12 109.791 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.08 -58.61 7.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.94 . . . . 0.26 109.925 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.51 -40.22 90.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.4 109.368 -179.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.09 -34.68 72.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.261 -0.9 . . . . 2.09 109.06 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.751 HD21 ' NE2' ' D' ' 354' ' ' GLN . 10.5 tp -65.21 -39.96 93.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.75 109.055 179.655 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 0.8 OUTLIER -62.01 -46.56 88.68 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.95 -31.02 62.57 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.421 -0.8 . . . . 1.34 109.552 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.36 91.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.379 -0.826 . . . . 0.72 109.601 -179.802 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.73 HE21 HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.224 -0.922 . . . . 1.8 109.432 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.485 -0.561 . . . . 1.67 109.485 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.23 155.72 17.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.326 -0.859 . . . . 0.61 109.407 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.7 m-85 -138.42 -169.69 2.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.212 -0.93 . . . . 0.56 109.649 -179.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.6 p -154.09 157.05 38.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.949 . . . . 0.43 109.475 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -147.03 129.41 15.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 0.35 109.22 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 15.0 tt0 -86.45 135.42 33.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.37 109.953 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.68 119.64 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.834 . . . . 0.48 109.146 179.525 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.41 46.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 2.08 109.745 -179.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.92 142.96 9.84 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.826 -1.31 . . . . 0.4 109.826 179.676 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.1 ttm180 -79.61 -51.19 9.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -1.11 . . . . 2.64 109.306 179.811 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.25 -41.08 83.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.87 . . . . 2.22 109.338 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.66 -45.17 85.9 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.168 -0.957 . . . . 2.74 109.689 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 47.1 t80 -55.82 -55.1 36.46 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.329 -0.857 . . . . 0.43 109.68 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.36 -38.14 40.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 1.69 110.075 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.88 -51.27 65.34 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.151 -0.968 . . . . 0.43 110.542 -179.319 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.582 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.3 m-85 -60.82 -55.47 32.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.126 -0.984 . . . . 0.27 109.45 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.4 -34.49 16.43 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.445 -0.785 . . . . 2.45 109.56 179.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.46 -49.93 75.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 1.75 109.458 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -61.94 -34.37 75.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.31 108.939 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.408 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.7 t-20 -59.02 -52.87 63.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.408 -0.807 . . . . 1.22 109.431 179.69 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.0 OUTLIER -63.73 -31.43 72.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 1.73 109.737 -179.9 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.06 -58.62 7.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.28 109.93 -179.615 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.48 -40.19 90.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 0.31 109.447 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.07 -34.66 72.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.895 . . . . 1.91 109.076 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.73 HD11 HE21 ' C' ' 354' ' ' GLN . 10.4 tp -65.27 -39.95 93.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.43 109.035 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -46.46 89.06 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.922 -0.77 . . . . 1.57 108.922 179.721 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.04 -30.89 62.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.585 -0.697 . . . . 1.44 109.589 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.39 90.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.348 -0.845 . . . . 0.64 109.583 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.751 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 1.21 109.536 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.483 -0.562 . . . . 1.7 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.53 156.57 16.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.61 109.461 179.807 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 75.0 m-85 -140.17 -172.01 3.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.246 -0.909 . . . . 0.58 109.628 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 7.5 p -153.53 163.0 40.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.42 109.494 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.47 133.75 17.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.36 109.403 -179.704 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.49 131.02 34.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.346 -0.846 . . . . 1.37 109.482 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 38.5 mt -123.82 116.73 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.915 . . . . 0.47 109.526 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.9 153.88 39.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 2.1 109.615 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.83 138.72 3.19 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.674 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.438 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.5 ttt180 -81.74 -51.02 8.59 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 2.68 109.36 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.14 -46.52 85.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 2.22 109.504 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -41.24 93.13 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.245 -0.909 . . . . 2.77 109.479 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 58.3 t80 -55.42 -54.89 38.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -0.827 . . . . 0.43 109.809 -179.888 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.9 mt-10 -50.24 -34.65 23.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 1.66 109.902 -179.71 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.1 -50.08 71.93 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.106 -0.996 . . . . 0.44 110.077 -179.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.1 -53.99 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.899 . . . . 0.29 109.266 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.41 -34.43 24.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.424 -0.798 . . . . 2.44 109.575 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.58 -50.41 73.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -0.974 . . . . 1.74 109.868 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' B' ' 344' ' ' LEU . 90.4 mt -61.48 -34.66 75.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.274 -0.891 . . . . 0.3 108.941 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.54 57.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.506 -0.746 . . . . 1.22 109.595 179.75 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.85 76.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 1.72 110.027 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.93 -53.61 55.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.27 110.139 -179.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.97 -40.09 92.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.29 109.557 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.41 -36.4 78.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.952 . . . . 1.91 109.58 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.66 -48.03 76.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.41 109.738 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.47 -36.86 81.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.364 -0.835 . . . . 1.56 109.194 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.5 -39.59 76.82 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.57 -0.706 . . . . 1.43 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -45.89 75.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.66 109.456 -179.834 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.634 ' NE2' HD21 ' B' ' 350' ' ' LEU . 13.9 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.302 -0.874 . . . . 1.18 109.738 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.48 -0.563 . . . . 1.61 109.48 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.55 156.66 16.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.57 109.38 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 75.4 m-85 -140.22 -172.17 3.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.53 109.647 -179.828 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' O ' ' B' ' 328' ' ' PHE . 7.8 p -153.45 162.89 40.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.38 109.503 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.38 133.76 17.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.36 109.459 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.53 131.09 34.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 1.36 109.425 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.0 mt -123.86 116.65 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.49 109.506 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.87 153.88 39.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 2.1 109.674 179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 138.65 3.22 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.76 -1.336 . . . . 0.44 109.76 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.5 ttt180 -81.71 -50.95 8.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -1.101 . . . . 2.72 109.409 179.806 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.51 85.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 2.21 109.508 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -41.29 93.21 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.322 -0.861 . . . . 2.79 109.445 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' B' ' 332' ' ' ILE . 57.9 t80 -55.41 -54.88 38.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.45 109.814 -179.845 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 14.8 mt-10 -50.2 -34.63 23.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.441 -0.787 . . . . 1.68 109.867 -179.733 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.184 -0.948 . . . . 0.43 110.032 -179.423 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.2 m-85 -61.13 -53.98 50.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.161 -0.962 . . . . 0.28 109.292 -179.854 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.53 -34.37 25.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.371 -0.831 . . . . 2.52 109.567 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.56 -50.45 73.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.197 -0.939 . . . . 1.75 109.806 -179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' A' ' 344' ' ' LEU . 91.2 mt -61.41 -34.64 75.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.2 -0.937 . . . . 0.31 109.047 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.504 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.3 t-20 -58.86 -53.52 57.5 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 1.21 109.645 179.709 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.88 76.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.287 -0.883 . . . . 1.69 110.103 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.97 -53.57 56.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.27 110.142 -179.477 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.04 -39.92 91.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.219 -0.925 . . . . 0.3 109.632 -179.517 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.56 -36.33 78.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.15 -0.969 . . . . 1.93 109.542 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.634 HD21 ' NE2' ' A' ' 354' ' ' GLN . 13.7 tp -64.63 -48.02 76.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.418 -0.801 . . . . 0.4 109.785 -179.807 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.49 -36.98 81.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.433 -0.792 . . . . 1.59 109.133 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -57.37 -39.67 76.49 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.524 -0.735 . . . . 1.43 109.634 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.83 76.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 0.65 109.523 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.368 -0.833 . . . . 1.19 109.646 -179.896 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.457 -0.571 . . . . 2.11 109.457 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.54 156.59 16.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.64 109.37 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 75.3 m-85 -140.13 -171.96 3.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.094 -1.004 . . . . 0.49 109.568 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' C' ' 328' ' ' PHE . 7.6 p -153.6 162.92 40.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.47 109.541 -179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.4 tp -149.42 133.75 17.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.42 109.558 -179.787 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.42 131.02 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 1.81 109.54 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.1 mt -123.79 116.69 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 0.42 109.515 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.96 154.04 39.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 2.35 109.551 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.76 138.74 3.17 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.814 -1.314 . . . . 0.41 109.814 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.5 ttt180 -81.86 -50.87 8.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.339 -1.095 . . . . 2.59 109.384 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.22 -46.6 85.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 2.54 109.408 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -41.2 92.8 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.848 . . . . 3.39 109.544 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' C' ' 332' ' ' ILE . 58.1 t80 -55.36 -55.05 36.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 0.47 109.747 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.17 -34.6 23.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 1.66 109.948 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.15 -50.02 72.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.147 -0.971 . . . . 0.61 110.065 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -53.84 51.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.189 -0.944 . . . . 0.33 109.303 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.62 -34.23 25.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.844 . . . . 3.28 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.73 -50.3 74.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.088 -1.007 . . . . 1.78 109.831 -179.706 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.41 -34.72 75.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.38 109.026 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.5 t-20 -58.84 -53.66 55.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.512 -0.742 . . . . 1.2 109.554 179.765 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.79 76.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.398 -0.814 . . . . 2.12 110.12 -179.573 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -53.66 55.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.174 -0.954 . . . . 0.26 110.098 -179.501 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.87 -40.05 91.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.096 -1.003 . . . . 0.4 109.61 -179.581 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.45 -36.39 78.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 2.09 109.565 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.471 HD21 ' NE2' ' D' ' 354' ' ' GLN . 13.7 tp -64.6 -48.16 75.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.75 109.742 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.35 -36.97 81.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.357 -0.839 . . . . 2.19 109.134 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.513 -0.742 . . . . 1.34 109.595 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.91 75.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.72 109.487 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD21 ' D' ' 350' ' ' LEU . 13.8 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.8 109.668 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.567 -0.531 . . . . 1.67 109.567 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -94.57 156.54 16.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.96 . . . . 0.61 109.46 179.873 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 75.2 m-85 -140.13 -172.11 3.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.56 109.644 -179.777 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.6 p -153.39 163.12 40.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.43 109.505 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.2 tp -149.52 133.85 17.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.307 -0.871 . . . . 0.35 109.491 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.57 131.04 34.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.309 -0.87 . . . . 1.37 109.528 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.87 116.64 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.48 109.502 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.87 153.9 39.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 2.08 109.625 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.89 138.69 3.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.802 -1.319 . . . . 0.4 109.802 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.5 ttt180 -81.67 -51.02 8.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -1.133 . . . . 2.64 109.435 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.15 -46.56 85.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 2.22 109.456 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.38 92.81 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.224 -0.922 . . . . 2.74 109.446 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CD1' HD12 ' D' ' 332' ' ' ILE . 57.9 t80 -55.42 -54.88 38.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.822 . . . . 0.43 109.777 -179.811 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 14.7 mt-10 -50.22 -34.68 23.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.69 109.938 -179.713 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.99 -50.18 71.78 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.122 -0.987 . . . . 0.43 110.086 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.4 m-85 -61.06 -53.93 51.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.27 109.317 -179.843 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.6 -34.3 25.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 2.45 109.582 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.58 -50.38 73.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.75 109.78 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' C' ' 344' ' ' LEU . 90.5 mt -61.47 -34.64 75.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.323 -0.861 . . . . 0.31 109.005 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.485 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -58.92 -53.47 58.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.409 -0.807 . . . . 1.22 109.628 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.74 76.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.313 -0.867 . . . . 1.73 110.09 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.02 -53.6 55.91 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 0.28 110.122 -179.471 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.01 -39.89 91.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.183 -0.948 . . . . 0.31 109.677 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.51 -36.38 78.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.91 109.593 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.527 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.6 tp -64.49 -48.17 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 0.43 109.78 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.4 -37.01 81.9 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 1.57 109.165 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.33 -39.68 76.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.56 -0.712 . . . . 1.44 109.656 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.92 75.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 0.64 109.478 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.471 ' NE2' HD21 ' C' ' 350' ' ' LEU . 13.7 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.21 109.684 -179.884 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.28 0.562 . . . . 1.7 109.592 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.63 158.85 15.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.285 -0.884 . . . . 0.61 109.342 179.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.4 m-85 -138.96 -169.35 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.58 109.558 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.505 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 14.7 p -153.69 157.82 40.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.42 109.398 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.5 tp -148.61 132.78 17.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.36 109.632 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 3.2 tt0 -87.01 128.02 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.37 109.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.7 mt -123.77 118.74 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.96 . . . . 0.47 109.691 179.887 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.6 OUTLIER -74.51 148.56 40.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.404 -0.81 . . . . 2.1 109.777 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.67 140.91 11.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.893 -1.283 . . . . 0.42 109.893 179.559 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.0 ttp180 -82.39 -59.24 2.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -1.095 . . . . 2.68 109.379 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.32 -42.48 86.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.862 . . . . 2.22 109.347 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.573 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.22 96.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 2.77 109.058 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.8 t80 -56.18 -56.83 16.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.481 -0.762 . . . . 0.43 109.68 179.773 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.58 -34.44 25.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.425 -0.797 . . . . 1.66 109.737 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -61.91 -48.54 80.01 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.44 109.609 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.515 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -61.34 -50.39 73.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.29 109.171 179.898 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.451 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.3 OUTLIER -51.15 -36.61 41.76 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.399 -0.813 . . . . 2.44 109.488 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.96 . . . . 1.74 109.873 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 78.5 mt -61.82 -45.23 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.3 109.488 -179.779 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.535 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.3 t30 -57.96 -44.69 87.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -0.878 . . . . 1.22 109.595 -179.847 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.54 -38.81 91.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -0.904 . . . . 1.72 109.622 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.11 -49.56 77.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.27 109.868 -179.757 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 42.8 mt -61.41 -41.78 97.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 0.29 109.679 -179.664 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.75 -37.46 81.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.25 -0.906 . . . . 1.91 109.651 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -64.22 -46.06 85.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.41 109.514 -179.653 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.384 -0.823 . . . . 1.56 109.008 179.884 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.64 -36.56 72.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 1.43 109.627 179.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.26 75.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.902 . . . . 0.66 109.735 -179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.466 ' NE2' HD11 ' B' ' 350' ' ' LEU . 15.6 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 1.18 109.598 -179.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.288 0.566 . . . . 1.61 109.588 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.62 158.87 15.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.57 109.33 179.802 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.3 m-85 -138.92 -169.33 2.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.53 109.5 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 14.6 p -153.64 157.75 40.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 0.38 109.482 -179.792 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.6 tp -148.59 132.92 17.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.36 109.552 -179.925 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 3.2 tt0 -87.1 128.01 35.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.36 109.507 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.519 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.8 mt -123.73 118.84 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -0.983 . . . . 0.49 109.718 179.876 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER -74.64 148.74 40.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.52 140.98 10.97 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.964 -1.255 . . . . 0.44 109.964 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 36.0 ttp180 -82.48 -59.26 2.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.391 -1.064 . . . . 2.72 109.363 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.34 -42.69 87.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 2.21 109.254 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.566 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.26 -44.23 95.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 2.79 109.11 179.941 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.5 t80 -56.27 -56.83 16.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.546 -0.721 . . . . 0.45 109.656 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -50.52 -34.37 25.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.822 . . . . 1.68 109.731 -179.723 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.03 -48.42 80.34 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.228 -0.92 . . . . 0.43 109.637 -179.602 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -61.42 -50.39 73.03 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.236 -0.915 . . . . 0.28 109.157 179.834 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.3 OUTLIER -51.12 -36.6 41.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 2.52 109.46 179.829 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.89 -45.03 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.935 . . . . 1.75 109.783 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 79.1 mt -61.73 -45.23 94.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.31 109.609 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.53 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.2 t30 -57.89 -44.71 86.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.91 . . . . 1.21 109.692 -179.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.55 -38.63 90.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.69 109.649 -179.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.4 -49.39 77.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.345 -0.847 . . . . 0.27 109.837 -179.691 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.56 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 42.9 mt -61.46 -41.78 97.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.276 -0.89 . . . . 0.3 109.615 -179.728 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.89 -37.39 82.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.93 109.673 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.666 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -64.25 -46.08 85.35 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.419 -0.801 . . . . 0.4 109.586 -179.768 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -61.59 -38.4 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.371 -0.831 . . . . 1.59 109.003 179.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.64 72.17 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.548 -0.72 . . . . 1.43 109.643 179.749 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.37 75.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.65 109.685 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' A' ' 350' ' ' LEU . 15.8 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.164 -0.96 . . . . 1.19 109.516 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.233 0.54 . . . . 2.11 109.668 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -93.65 158.95 15.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.876 . . . . 0.64 109.335 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -138.99 -169.32 2.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.49 109.491 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 14.8 p -153.65 157.81 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.47 109.501 -179.793 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.4 tp -148.64 132.89 17.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.42 109.581 -179.923 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 3.2 tt0 -87.04 127.96 35.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 1.81 109.584 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.67 118.84 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.42 109.67 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.6 OUTLIER -74.59 148.63 40.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.36 -0.837 . . . . 2.35 109.77 179.945 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.54 140.89 10.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.964 -1.255 . . . . 0.41 109.964 179.622 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.0 ttp180 -82.27 -59.32 2.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.38 -1.07 . . . . 2.59 109.416 179.823 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -58.32 -42.5 86.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 2.54 109.317 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.14 96.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.245 -0.909 . . . . 3.39 109.029 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.5 t80 -56.35 -56.75 17.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.538 -0.726 . . . . 0.47 109.628 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.59 -34.32 25.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 1.66 109.812 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -61.96 -48.41 80.49 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.218 -0.926 . . . . 0.61 109.72 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.46 -50.41 72.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.33 109.074 179.856 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.447 ' NH1' ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.11 -36.63 41.41 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.351 -0.843 . . . . 3.28 109.495 179.877 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.78 -45.04 95.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.78 109.838 -179.85 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' D' ' 344' ' ' LEU . 78.4 mt -61.76 -45.26 94.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.38 109.521 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.1 t30 -57.87 -44.72 86.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.2 109.751 -179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.55 -38.6 90.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 2.12 109.641 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.47 77.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.335 -0.853 . . . . 0.26 109.89 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 42.8 mt -61.35 -41.87 97.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.41 -0.807 . . . . 0.4 109.654 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.77 -37.35 81.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 2.09 109.657 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.658 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -64.32 -46.11 84.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.417 -0.802 . . . . 0.75 109.502 -179.655 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -61.52 -38.53 87.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 2.19 108.966 179.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.651 -0.655 . . . . 1.34 109.695 179.746 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.33 75.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 0.72 109.628 -179.708 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.627 ' NE2' HD11 ' D' ' 350' ' ' LEU . 15.7 mt-30 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 1.8 109.639 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.313 0.578 . . . . 1.67 109.557 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.49 158.95 15.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.61 109.324 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.7 m-85 -139.01 -169.44 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.214 -0.929 . . . . 0.56 109.539 -179.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 14.9 p -153.63 157.73 40.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 0.43 109.507 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.5 tp -148.52 132.85 17.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.35 109.647 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 3.2 tt0 -87.06 128.1 35.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.37 109.475 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -123.8 118.74 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.48 109.7 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.6 OUTLIER -74.5 148.73 40.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.08 109.68 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.487 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.55 140.83 10.89 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.4 109.904 179.488 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 36.0 ttp180 -82.35 -59.21 2.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.282 -1.129 . . . . 2.64 109.414 179.857 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -58.42 -42.59 87.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 2.22 109.274 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.56 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.35 -44.22 95.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.389 -0.819 . . . . 2.74 109.061 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.4 t80 -56.3 -56.72 17.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.53 -0.731 . . . . 0.43 109.645 179.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -50.63 -34.38 25.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.69 109.73 -179.716 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -62.02 -48.44 80.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.15 -0.968 . . . . 0.43 109.682 -179.668 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -61.37 -50.36 73.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.266 -0.896 . . . . 0.27 109.188 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.448 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.3 OUTLIER -51.19 -36.57 41.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.416 -0.803 . . . . 2.45 109.5 179.804 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -45.03 95.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 1.75 109.825 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' C' ' 344' ' ' LEU . 79.0 mt -61.76 -45.3 94.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.31 109.535 -179.78 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.3 t30 -57.9 -44.75 86.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 1.22 109.664 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.53 -38.64 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.281 -0.887 . . . . 1.73 109.625 -179.842 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.35 -49.48 77.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.291 -0.881 . . . . 0.28 109.9 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 42.7 mt -61.31 -41.88 97.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.881 . . . . 0.31 109.637 -179.769 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.9 -37.34 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 1.91 109.609 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -64.29 -45.97 85.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.43 109.532 -179.683 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.36 -0.838 . . . . 1.57 109.031 179.841 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.45 71.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.568 -0.708 . . . . 1.44 109.596 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.3 75.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.64 109.647 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.934 . . . . 1.21 109.583 -179.914 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 108.787 -0.82 . . . . 1.7 108.787 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.13 148.13 22.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.61 109.943 -179.501 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 66.2 m-85 -138.29 -168.14 2.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.41 -0.807 . . . . 0.58 109.216 179.935 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 37.3 p -153.48 157.73 40.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.42 109.29 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.75 131.35 14.89 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.299 -0.876 . . . . 0.36 109.582 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.9 tt0 -86.38 131.0 34.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 1.37 109.195 179.768 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.4 mt -123.89 118.36 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.185 -0.947 . . . . 0.47 109.552 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.72 151.39 40.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -0.832 . . . . 2.1 109.445 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.95 135.15 4.25 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.672 -1.371 . . . . 0.42 109.672 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.38 -51.23 9.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 2.68 109.522 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.14 -45.7 86.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.8 . . . . 2.22 109.42 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 1.4 ttt180 -60.29 -41.2 92.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.307 -0.87 . . . . 2.77 109.491 -179.811 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.458 ' CD1' HD12 ' A' ' 332' ' ' ILE . 83.3 t80 -55.02 -55.0 35.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.458 -0.776 . . . . 0.43 109.664 -179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -51.05 -37.1 43.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 1.66 109.93 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.0 -50.47 70.62 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.191 -0.943 . . . . 0.44 110.182 -179.242 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 34.2 m-85 -60.17 -55.56 32.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.29 109.232 -179.687 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.58 -36.19 33.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.486 -0.759 . . . . 2.44 109.632 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.92 -45.0 96.41 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.115 -0.991 . . . . 1.74 109.758 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 344' ' ' LEU . 91.2 mt -61.2 -43.96 98.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.836 . . . . 0.3 109.458 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 41.3 t30 -58.24 -46.01 86.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.22 109.811 -179.858 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -38.68 91.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 1.72 110.03 -179.637 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.13 -53.91 52.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.27 110.038 -179.556 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.501 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 25.8 mt -60.68 -40.75 93.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.29 109.648 -179.59 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 11.1 mt-10 -59.84 -35.91 75.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 1.91 109.422 179.844 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.63 -45.9 84.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 0.41 109.213 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.29 -37.44 83.2 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.406 -0.809 . . . . 1.56 108.858 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -57.7 -32.66 67.59 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.602 -0.686 . . . . 1.43 109.472 179.644 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.04 85.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.66 109.333 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 1.18 109.59 179.773 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 108.815 -0.809 . . . . 1.61 108.815 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -92.1 148.18 22.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.57 109.84 -179.438 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 66.2 m-85 -138.3 -168.17 2.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.393 -0.817 . . . . 0.53 109.257 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.436 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.0 p -153.52 157.72 40.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.38 109.282 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.72 131.4 14.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.189 -0.945 . . . . 0.36 109.569 -179.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.9 tt0 -86.35 130.9 34.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.322 -0.861 . . . . 1.36 109.218 179.744 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' B' ' 338' ' ' PHE . 38.9 mt -123.82 118.35 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.49 109.582 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.78 151.14 40.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.368 -0.833 . . . . 2.1 109.576 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.34 135.18 4.46 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.623 -1.391 . . . . 0.44 109.623 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.37 -51.3 9.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 2.72 109.518 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.15 -45.64 87.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 2.21 109.341 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.456 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.4 ttt180 -60.46 -41.12 93.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.275 -0.891 . . . . 2.79 109.477 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' B' ' 332' ' ' ILE . 83.5 t80 -55.07 -55.01 35.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.338 -0.851 . . . . 0.45 109.68 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -51.03 -37.06 43.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 1.68 109.873 -179.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.03 -50.48 70.49 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.208 -0.932 . . . . 0.43 110.224 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 34.6 m-85 -60.1 -55.64 31.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.28 109.235 -179.745 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.54 -36.19 33.16 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.418 -0.801 . . . . 2.52 109.605 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.88 -44.99 96.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.75 109.813 -179.756 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 344' ' ' LEU . 91.3 mt -61.34 -43.79 98.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.214 -0.929 . . . . 0.31 109.474 -179.859 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.29 -45.98 86.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.867 . . . . 1.21 109.813 -179.922 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.83 92.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 1.69 110.011 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.96 -53.84 53.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.878 . . . . 0.27 110.093 -179.64 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.445 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 25.8 mt -60.67 -40.89 93.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.3 109.552 -179.586 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.83 -35.94 75.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.953 . . . . 1.93 109.435 179.879 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.51 -46.01 84.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.3 -0.875 . . . . 0.4 109.281 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.853 -0.795 . . . . 1.59 108.853 179.656 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.58 -32.66 67.38 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.558 -0.714 . . . . 1.43 109.47 179.629 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.98 85.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.892 . . . . 0.65 109.326 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.883 . . . . 1.19 109.488 179.861 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.832 -0.803 . . . . 2.11 108.832 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -92.02 148.17 22.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.073 -1.017 . . . . 0.64 109.895 -179.406 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 66.1 m-85 -138.33 -168.13 2.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.486 -0.759 . . . . 0.49 109.29 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 37.2 p -153.51 157.8 40.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.47 109.262 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.83 131.35 14.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.275 -0.891 . . . . 0.42 109.536 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.93 34.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 1.81 109.175 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' C' ' 338' ' ' PHE . 38.2 mt -123.74 118.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.958 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.71 151.27 40.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 2.35 109.512 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.13 135.16 4.35 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.684 -1.367 . . . . 0.41 109.684 179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.47 -51.21 9.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -1.22 . . . . 2.59 109.498 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.18 -45.72 87.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.851 . . . . 2.54 109.44 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.4 ttt180 -60.33 -41.1 92.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.347 -0.845 . . . . 3.39 109.491 -179.772 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' C' ' 332' ' ' ILE . 83.0 t80 -55.1 -55.08 35.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.376 -0.827 . . . . 0.47 109.628 -179.869 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.9 -37.21 42.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 1.66 109.969 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.83 -50.53 70.61 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.296 -0.878 . . . . 0.61 110.304 -179.331 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 35.0 m-85 -59.95 -55.62 31.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.922 . . . . 0.33 109.331 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.73 -36.12 34.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.441 -0.787 . . . . 3.28 109.615 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -60.8 -45.08 95.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 1.78 109.781 -179.782 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.24 -43.94 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.882 . . . . 0.38 109.431 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' C' ' 349' ' ' GLU . 41.4 t30 -58.26 -45.87 87.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 1.2 109.897 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.75 92.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 2.12 110.021 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.81 54.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.26 110.024 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 25.9 mt -60.76 -40.87 94.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.4 109.537 -179.555 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 11.1 mt-10 -59.74 -35.97 75.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -0.883 . . . . 2.09 109.457 179.833 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.684 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.62 -45.8 85.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -0.838 . . . . 0.75 109.34 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.6 ttmt -61.24 -37.58 83.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.393 -0.817 . . . . 2.19 108.904 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.54 -32.77 67.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.56 -0.712 . . . . 1.34 109.464 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.07 85.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 0.72 109.37 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 1.8 109.498 179.896 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.78 -0.822 . . . . 1.67 108.78 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -92.22 148.03 22.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.111 -0.993 . . . . 0.61 109.816 -179.397 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 65.6 m-85 -138.21 -168.14 2.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.822 . . . . 0.56 109.19 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.3 p -153.47 157.67 40.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.223 -0.923 . . . . 0.43 109.328 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.72 131.37 14.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.237 -0.914 . . . . 0.35 109.539 -179.797 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.98 34.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.358 -0.838 . . . . 1.37 109.183 179.809 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.445 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.84 118.3 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.1 -1.0 . . . . 0.48 109.55 -179.917 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.71 151.22 40.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.36 -0.837 . . . . 2.08 109.497 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.18 135.17 4.38 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.43 -51.24 9.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -1.134 . . . . 2.64 109.522 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.11 -45.7 86.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.389 -0.82 . . . . 2.22 109.456 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 1.4 ttt180 -60.41 -41.09 93.19 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.293 -0.879 . . . . 2.74 109.472 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' D' ' 332' ' ' ILE . 83.3 t80 -55.0 -55.14 34.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.36 -0.837 . . . . 0.43 109.636 -179.846 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.95 -37.09 42.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.69 109.97 -179.765 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.94 -50.51 70.52 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.259 -0.901 . . . . 0.43 110.213 -179.287 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.445 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 34.7 m-85 -60.04 -55.55 32.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.191 -0.943 . . . . 0.27 109.34 -179.795 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.64 -36.14 33.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 2.45 109.628 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -60.93 -44.94 96.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.75 109.833 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' C' ' 344' ' ' LEU . 91.5 mt -61.31 -43.85 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.31 109.408 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' D' ' 349' ' ' GLU . 41.3 t30 -58.28 -46.03 86.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.79 -179.833 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.67 91.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 1.73 110.023 -179.648 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -53.83 53.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.868 . . . . 0.28 109.997 -179.49 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 25.3 mt -60.61 -40.8 93.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.253 -0.904 . . . . 0.31 109.705 -179.636 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 11.2 mt-10 -59.87 -35.88 75.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 1.91 109.468 179.819 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.66 -45.88 84.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.43 109.238 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.6 ttmt -61.23 -37.62 83.7 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.445 -0.785 . . . . 1.57 108.887 179.634 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.65 -32.64 67.48 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.551 -0.718 . . . . 1.44 109.472 179.673 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.1 85.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.64 109.365 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 1.21 109.519 179.853 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.357 -0.609 . . . . 1.7 109.357 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -92.98 158.35 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.61 109.451 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.2 m-85 -139.38 -169.79 2.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.187 -0.946 . . . . 0.58 109.358 -179.898 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.1 p -153.56 160.06 42.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.047 -1.033 . . . . 0.42 109.565 -179.723 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.89 129.62 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 0.36 109.503 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -86.92 128.15 35.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 1.37 109.646 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.494 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.1 mt -123.87 119.65 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.47 109.668 179.818 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -73.49 149.79 42.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 2.1 109.589 179.873 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 89.37 130.46 3.95 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.769 -1.333 . . . . 0.42 109.769 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 ttp180 -76.93 -51.76 10.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -1.063 . . . . 2.68 109.504 179.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.05 -46.86 87.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 2.22 109.49 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.1 ttt180 -61.6 -42.8 99.39 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.255 -0.903 . . . . 2.77 109.452 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.3 t80 -55.46 -56.89 14.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.52 -0.737 . . . . 0.43 109.936 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.64 -32.98 20.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.66 109.909 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.7 -49.8 73.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.972 . . . . 0.44 109.925 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 25.8 m-85 -61.34 -47.69 84.74 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.16 -0.963 . . . . 0.29 109.116 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.22 -41.25 60.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.411 -0.806 . . . . 2.44 109.552 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.08 -42.96 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.74 109.976 -179.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.33 -45.06 94.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.3 109.531 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.403 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 49.1 t30 -57.9 -46.0 85.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 1.22 109.767 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.8 -37.56 84.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 1.72 109.731 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.64 -45.32 94.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.27 109.908 -179.794 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.716 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 12.7 mt -61.61 -46.15 91.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.212 -0.93 . . . . 0.29 109.783 -179.621 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -39.17 83.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.91 109.958 -179.885 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.8 tp -63.57 -43.46 96.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.41 109.762 -179.682 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 1.56 108.834 179.819 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.6 -34.03 64.48 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.425 -0.797 . . . . 1.43 109.507 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.4 80.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.66 109.491 179.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.489 HE22 HD13 ' B' ' 350' ' ' LEU . 8.0 mt-30 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 1.18 109.823 -179.852 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.414 -0.587 . . . . 1.61 109.414 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 17.2 m-85 -93.1 158.33 15.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.338 -0.851 . . . . 0.57 109.403 -179.957 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.2 m-85 -139.31 -169.67 2.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.53 109.51 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.3 p -153.58 160.1 42.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.004 . . . . 0.38 109.646 -179.732 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.7 tp -148.94 129.71 14.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.36 109.453 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -87.0 128.28 35.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 1.36 109.545 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.498 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.0 mt -124.02 119.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.49 109.561 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -73.63 149.89 41.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.1 109.47 179.92 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 89.36 130.5 3.96 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.706 -1.358 . . . . 0.44 109.706 179.719 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.2 ttp180 -76.94 -51.81 10.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -1.104 . . . . 2.72 109.431 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.84 87.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 2.21 109.588 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.1 ttt180 -61.52 -42.85 99.42 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 2.79 109.448 -179.845 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.498 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.9 t80 -55.56 -56.86 15.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 0.45 109.838 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.57 -33.02 20.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.68 109.893 -179.669 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.109 -0.994 . . . . 0.43 109.847 -179.609 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.675 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 25.6 m-85 -61.31 -47.69 84.79 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.28 109.12 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.21 -41.31 60.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.384 -0.822 . . . . 2.52 109.526 179.829 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.17 -42.83 95.82 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 1.75 109.923 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.29 -45.13 94.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.31 109.576 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.88 -45.96 85.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.883 . . . . 1.21 109.821 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.8 -37.58 84.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.935 . . . . 1.69 109.742 -179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.6 -45.23 94.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.27 109.948 -179.84 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.717 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 12.7 mt -61.67 -46.12 91.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.3 109.807 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.57 -39.24 83.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 1.93 109.948 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 16.3 tp -63.45 -43.55 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.4 109.76 -179.741 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.57 -39.03 89.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 1.59 108.853 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.56 -34.16 64.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 1.43 109.471 179.747 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.44 80.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.65 109.433 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.496 HE22 HD13 ' A' ' 350' ' ' LEU . 7.9 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.19 109.749 -179.816 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.414 -0.587 . . . . 2.11 109.414 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -93.02 158.4 15.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -0.883 . . . . 0.64 109.486 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.2 m-85 -139.39 -169.73 2.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.203 -0.936 . . . . 0.49 109.45 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.2 p -153.63 160.03 42.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.194 -0.941 . . . . 0.47 109.661 -179.756 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.84 129.81 14.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 0.42 109.46 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.12 128.1 35.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.81 109.531 -179.919 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.5 mt -123.86 119.72 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.148 -0.97 . . . . 0.42 109.618 179.8 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -73.57 149.82 41.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 2.35 109.458 179.941 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 89.32 130.47 3.93 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.779 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.2 ttp180 -76.8 -51.82 10.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -1.154 . . . . 2.59 109.483 179.85 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.04 -46.81 87.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 2.54 109.579 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttt180 -61.64 -42.82 99.43 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.327 -0.858 . . . . 3.39 109.469 -179.837 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.9 t80 -55.5 -56.9 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.372 -0.83 . . . . 0.47 109.83 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.54 -33.09 20.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.332 -0.855 . . . . 1.66 110.013 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.65 -49.78 73.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.093 -1.004 . . . . 0.61 109.919 -179.654 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.716 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 25.5 m-85 -61.45 -47.67 84.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.33 109.094 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.11 -41.35 59.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.354 -0.842 . . . . 3.28 109.592 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.11 -42.92 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 1.78 109.941 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' C' ' 344' ' ' LEU . 87.6 mt -62.34 -45.03 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.38 109.578 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -57.92 -46.01 85.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.848 . . . . 1.2 109.727 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 5.1 mt-10 -61.92 -37.32 84.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.12 109.759 -179.644 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -45.27 94.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.26 109.969 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.701 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 12.6 mt -61.75 -46.13 90.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.253 -0.905 . . . . 0.4 109.788 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.39 -39.27 82.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 2.09 109.92 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.3 tp -63.54 -43.53 96.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.75 109.691 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.55 -39.02 89.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.27 -0.894 . . . . 2.19 108.898 179.831 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.65 -34.04 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 1.34 109.457 179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.37 80.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.72 109.424 -179.961 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.494 HE22 HD13 ' D' ' 350' ' ' LEU . 8.0 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.326 -0.859 . . . . 1.8 109.837 -179.895 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.495 -0.558 . . . . 1.67 109.495 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 17.1 m-85 -93.01 158.48 15.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 0.61 109.444 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -139.44 -169.82 2.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -0.887 . . . . 0.56 109.408 -179.885 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.1 p -153.54 160.13 42.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.43 109.716 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -148.92 129.67 14.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.35 109.421 -179.809 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.7 tp60 -86.97 128.17 35.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 1.37 109.55 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.4 mt -123.96 119.61 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.48 109.584 179.81 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.495 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -73.51 149.84 41.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.933 . . . . 2.08 109.517 179.832 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 89.39 130.22 3.88 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.824 -1.31 . . . . 0.4 109.824 179.751 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.2 ttp180 -76.7 -51.78 10.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -1.111 . . . . 2.64 109.518 179.917 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.71 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 2.22 109.571 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.1 ttt180 -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.339 -0.851 . . . . 2.74 109.433 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' D' ' 332' ' ' ILE . 46.0 t80 -55.54 -56.9 14.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.43 109.832 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.49 -33.2 20.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 1.69 109.882 -179.64 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.58 -49.96 73.2 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.112 -0.993 . . . . 0.43 109.906 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.717 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 25.7 m-85 -61.29 -47.62 85.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.27 109.192 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.16 -41.36 60.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 2.45 109.579 179.748 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.14 -42.78 95.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.75 110.011 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 344' ' ' LEU . 88.0 mt -62.36 -45.16 94.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.31 109.547 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 49.1 t30 -57.84 -45.97 85.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.37 -0.831 . . . . 1.22 109.765 -179.939 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.8 -37.5 84.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.216 -0.927 . . . . 1.73 109.754 -179.748 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.64 -45.34 94.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.877 . . . . 0.28 109.943 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 12.8 mt -61.63 -46.1 91.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.327 -0.858 . . . . 0.31 109.863 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.21 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 1.91 109.895 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 16.0 tp -63.63 -43.51 96.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 0.43 109.718 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 12.3 ttmm -61.5 -39.02 89.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 1.57 108.897 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.53 -34.2 64.46 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.593 -0.692 . . . . 1.44 109.47 179.717 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.24 80.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.64 109.528 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.52 HE22 HD13 ' C' ' 350' ' ' LEU . 7.9 mt-30 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.858 . . . . 1.21 109.828 -179.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.563 -0.532 . . . . 1.7 109.563 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -93.81 154.26 17.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.362 -0.837 . . . . 0.61 109.35 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 67.6 m-85 -138.72 -168.33 2.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 0.58 109.496 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.1 p -152.93 161.1 42.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.234 -0.916 . . . . 0.42 109.597 -179.798 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.7 tp -148.93 132.68 16.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.36 109.474 -179.732 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 1.0 OUTLIER -86.3 126.23 34.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.37 109.617 -179.856 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.486 HD13 ' CD2' ' A' ' 341' ' ' PHE . 41.9 mt -124.0 115.28 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.47 109.407 179.759 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.62 147.0 44.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 2.1 109.547 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.54 134.46 8.51 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.881 -1.288 . . . . 0.42 109.881 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.6 -58.34 3.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 2.68 109.371 179.844 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.63 -45.34 89.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 2.22 109.424 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.525 ' NH1' HD22 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -60.44 -41.62 94.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.278 -0.889 . . . . 2.77 109.472 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.9 -53.98 50.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.893 . . . . 0.43 109.48 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.83 -31.18 16.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.332 -0.855 . . . . 1.66 110.031 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 32.6 ttp -64.69 -48.95 72.81 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.124 -0.985 . . . . 0.44 109.671 -179.761 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 332' ' ' ILE . 22.1 m-85 -60.58 -52.12 66.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.29 109.253 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.55 -39.21 48.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.351 -0.843 . . . . 2.44 109.735 179.916 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.18 -43.87 98.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 1.74 110.005 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.96 -45.78 92.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.3 109.627 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.1 -44.19 87.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.336 -0.852 . . . . 1.22 109.849 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.99 -41.38 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.72 109.776 -179.722 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.69 -46.54 87.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.27 109.559 -179.82 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.595 HD22 ' NH1' ' C' ' 337' ' ' ARG . 25.5 mt -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.451 -0.781 . . . . 0.29 109.553 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.46 -38.01 82.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 1.91 109.801 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.689 HD11 HE22 ' B' ' 354' ' ' GLN . 16.2 tp -63.22 -48.61 77.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.41 109.879 -179.515 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.72 83.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 1.56 109.112 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -33.72 68.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.582 -0.699 . . . . 1.43 109.717 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.69 13.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.66 109.651 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.692 HE22 HD11 ' B' ' 350' ' ' LEU . 22.3 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 1.18 109.649 179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.274 0.559 . . . . 1.61 109.593 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -93.76 154.28 17.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.57 109.385 179.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 67.7 m-85 -138.71 -168.24 2.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.53 109.589 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 15.7 p -153.04 161.08 42.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.38 109.563 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 15.8 tp -148.92 132.95 17.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.36 109.411 -179.754 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.45 126.25 34.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 1.36 109.541 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' B' ' 341' ' ' PHE . 41.3 mt -123.97 115.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -0.938 . . . . 0.49 109.451 179.639 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.61 146.92 44.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.1 109.676 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.54 134.57 8.55 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.947 -1.261 . . . . 0.44 109.947 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -79.62 -58.39 3.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -1.073 . . . . 2.72 109.354 179.857 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 15.7 pt-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 2.21 109.437 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.624 ' NH1' HD22 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -60.6 -41.47 94.81 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.343 -0.848 . . . . 2.79 109.476 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.2 t80 -56.09 -53.89 51.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 0.45 109.43 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.9 -31.05 16.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.495 -0.753 . . . . 1.68 110.111 -179.793 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 32.7 ttp -64.83 -48.88 72.74 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.075 -1.016 . . . . 0.43 109.601 -179.738 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' B' ' 332' ' ' ILE . 21.8 m-85 -60.59 -51.97 67.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.28 109.304 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.468 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.64 -39.25 50.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.362 -0.836 . . . . 2.52 109.615 179.94 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.28 -43.74 98.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.254 -0.904 . . . . 1.75 109.956 -179.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.01 -45.73 92.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.202 -0.936 . . . . 0.31 109.612 -179.667 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.11 -44.11 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.21 109.89 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.05 -41.44 98.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 1.69 109.721 -179.704 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.69 -46.39 87.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.86 . . . . 0.27 109.59 -179.747 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.609 HD22 ' NH1' ' D' ' 337' ' ' ARG . 25.5 mt -62.18 -40.55 96.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.3 109.581 -179.829 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.61 -37.92 83.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.369 -0.832 . . . . 1.93 109.725 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.692 HD11 HE22 ' A' ' 354' ' ' GLN . 16.1 tp -63.14 -48.76 77.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.507 -0.746 . . . . 0.4 109.841 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.02 -37.77 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 1.59 109.141 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.46 -33.69 68.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.489 -0.757 . . . . 1.43 109.685 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -55.69 13.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.65 109.691 -179.743 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.689 HE22 HD11 ' A' ' 350' ' ' LEU . 22.3 mt-30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.19 109.621 -179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.568 -0.53 . . . . 2.11 109.568 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -93.8 154.29 17.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.64 109.312 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 67.8 m-85 -138.71 -168.36 2.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.49 109.584 -179.835 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.0 p -152.96 160.98 43.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.47 109.619 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.8 tp -148.84 132.79 17.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.42 109.498 -179.739 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.34 126.24 34.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 1.81 109.588 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.482 HD13 ' CD2' ' C' ' 341' ' ' PHE . 41.6 mt -123.98 115.32 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.14 -0.975 . . . . 0.42 109.427 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.66 146.86 44.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.283 -0.886 . . . . 2.35 109.674 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.62 134.43 8.5 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.95 -1.26 . . . . 0.41 109.95 179.691 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -79.47 -58.41 3.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.315 -1.109 . . . . 2.59 109.444 179.84 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -58.62 -45.27 89.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 2.54 109.452 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.595 ' NH1' HD22 ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.66 -41.56 95.24 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.291 -0.88 . . . . 3.39 109.367 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.1 t80 -56.05 -53.86 51.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 0.47 109.496 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -50.87 -31.14 16.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 1.66 110.088 -179.833 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.484 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 32.7 ttp -64.79 -48.85 72.97 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.078 -1.014 . . . . 0.61 109.647 -179.77 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CD2' HD13 ' C' ' 332' ' ' ILE . 22.3 m-85 -60.57 -52.15 66.41 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.167 -0.958 . . . . 0.33 109.3 179.861 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.467 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.63 -39.2 49.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 3.28 109.696 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.22 -43.77 98.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 1.78 109.943 -179.756 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' D' ' 344' ' ' LEU . 82.2 mt -61.99 -45.67 92.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.38 109.727 -179.758 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.24 -44.11 88.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 1.2 109.834 -179.821 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.95 -41.48 98.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.31 -0.869 . . . . 2.12 109.752 -179.745 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.63 -46.48 86.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.26 109.574 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.525 HD22 ' NH1' ' A' ' 337' ' ' ARG . 25.8 mt -62.12 -40.61 96.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.4 109.537 -179.851 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.51 -38.09 83.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 2.09 109.718 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.842 HD11 HE22 ' D' ' 354' ' ' GLN . 16.1 tp -63.18 -48.58 77.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 0.75 109.949 -179.574 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.75 83.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.193 -0.942 . . . . 2.19 109.049 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -33.6 68.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.598 -0.689 . . . . 1.34 109.7 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -55.63 13.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.72 109.596 -179.676 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.747 HE22 HD11 ' D' ' 350' ' ' LEU . 22.2 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 1.8 109.548 -179.893 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.241 0.543 . . . . 1.67 109.548 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.83 154.2 17.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 0.61 109.377 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 67.7 m-85 -138.74 -168.3 2.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.56 109.533 -179.812 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.0 p -152.99 161.09 42.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -0.95 . . . . 0.43 109.63 -179.743 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.0 tp -148.9 132.78 17.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.35 109.549 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.35 126.17 34.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 1.37 109.626 -179.839 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' D' ' 341' ' ' PHE . 41.4 mt -123.91 115.24 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.48 109.485 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.59 146.79 44.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 2.08 109.638 -179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.68 134.44 8.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.864 -1.294 . . . . 0.4 109.864 179.64 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.53 -58.42 3.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -1.163 . . . . 2.64 109.395 179.828 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 15.7 pt-20 -58.63 -45.33 89.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.403 -0.811 . . . . 2.22 109.407 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.609 ' NH1' HD22 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.45 -41.64 94.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.332 -0.855 . . . . 2.74 109.468 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.5 t80 -55.88 -53.95 50.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.257 -0.902 . . . . 0.43 109.513 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.92 -31.07 16.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.69 110.063 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 32.5 ttp -64.85 -48.83 72.91 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.087 -1.008 . . . . 0.43 109.644 -179.742 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' D' ' 332' ' ' ILE . 22.0 m-85 -60.55 -52.14 66.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.27 109.26 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.45 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.69 -39.17 50.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.45 109.647 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.24 -43.81 98.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.917 . . . . 1.75 109.927 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 344' ' ' LEU . 82.1 mt -61.88 -45.73 92.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.883 . . . . 0.31 109.71 -179.718 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.2 -44.13 87.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 1.22 109.826 -179.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.06 -41.4 98.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 1.73 109.748 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -46.23 87.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.347 -0.845 . . . . 0.28 109.651 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.624 HD22 ' NH1' ' B' ' 337' ' ' ARG . 25.8 mt -62.27 -40.68 97.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.31 109.412 -179.892 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.43 -38.21 83.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.455 -0.778 . . . . 1.91 109.726 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.747 HD11 HE22 ' C' ' 354' ' ' GLN . 16.1 tp -63.0 -48.67 77.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.43 109.978 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.11 -37.8 84.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 1.57 109.124 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -33.65 68.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.643 -0.661 . . . . 1.44 109.737 179.818 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.65 13.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.64 109.71 -179.739 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.842 HE22 HD11 ' C' ' 350' ' ' LEU . 22.4 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.294 -0.879 . . . . 1.21 109.662 179.941 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.258 0.551 . . . . 1.7 109.703 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.57 157.8 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.61 109.383 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -140.17 -174.88 4.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.328 -0.858 . . . . 0.58 109.48 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.0 p -153.12 159.68 42.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.981 . . . . 0.42 109.688 -179.681 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.5 tp -148.23 130.26 15.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.36 109.365 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.97 34.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 1.37 109.676 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.7 mt -123.98 118.85 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.935 . . . . 0.47 109.412 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 0.1 OUTLIER -74.21 136.39 42.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 2.1 109.606 179.947 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 103.11 129.9 6.8 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.888 -1.285 . . . . 0.42 109.888 179.637 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 55.7 ttt180 -74.83 -54.71 6.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.34 -1.094 . . . . 2.68 109.421 179.859 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.07 -45.99 86.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 2.22 109.541 179.954 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -60.6 -41.67 95.23 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.262 -0.899 . . . . 2.77 109.38 179.958 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' C' ' 329' ' ' THR . 61.6 t80 -56.05 -55.81 28.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.538 -0.726 . . . . 0.43 109.784 -179.884 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.87 -33.74 17.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 1.66 110.024 -179.515 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.82 -49.18 75.94 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.188 -0.945 . . . . 0.44 109.77 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 21.0 m-85 -61.64 -50.78 71.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.366 -0.834 . . . . 0.29 109.172 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.457 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.94 32.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.358 -0.839 . . . . 2.44 109.603 179.754 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.21 -48.57 81.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.138 -0.976 . . . . 1.74 109.493 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.99 -35.16 77.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.3 109.038 179.65 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.569 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.5 t-20 -59.4 -52.74 64.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.38 -0.825 . . . . 1.22 109.651 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.82 -33.24 74.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.436 -0.79 . . . . 1.72 109.884 -179.646 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.35 -51.59 68.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.27 110.106 -179.638 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.6 mt -61.23 -43.69 98.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -0.913 . . . . 0.29 109.814 -179.615 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -59.83 -38.57 82.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 1.91 109.717 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.85 -41.77 95.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.41 109.192 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.3 OUTLIER -61.6 -40.53 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 1.56 108.89 179.625 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.88 -35.08 63.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.622 -0.674 . . . . 1.43 109.492 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.84 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.301 -0.874 . . . . 0.66 109.289 179.815 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.471 ' OE1' HD21 ' B' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.437 -0.789 . . . . 1.18 109.521 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.31 0.576 . . . . 1.61 109.712 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.47 157.87 15.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.57 109.374 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -140.22 -174.94 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.53 109.447 -179.922 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.509 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.9 p -153.12 159.63 42.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.119 -0.988 . . . . 0.38 109.681 -179.737 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.5 tp -148.12 130.29 15.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.36 109.433 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 37.9 tt0 -87.16 130.95 34.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 1.36 109.667 -179.816 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.93 118.85 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.49 109.403 179.733 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.18 136.41 42.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 2.1 109.68 179.907 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 103.09 129.89 6.8 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.44 109.916 179.659 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 55.6 ttt180 -74.77 -54.7 6.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -1.113 . . . . 2.72 109.465 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.16 -45.84 86.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 2.21 109.476 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -60.66 -41.86 95.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.287 -0.883 . . . . 2.79 109.251 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.8 t80 -55.8 -55.92 26.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.603 -0.685 . . . . 0.45 109.903 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.86 -33.72 17.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 1.68 110.039 -179.535 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.81 -49.24 75.74 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.161 -0.962 . . . . 0.43 109.764 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 20.7 m-85 -61.65 -50.77 71.18 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.173 -0.955 . . . . 0.28 109.169 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.458 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.4 OUTLIER -50.65 -35.99 33.36 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.471 -0.768 . . . . 2.52 109.511 179.855 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 1.75 109.514 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.16 -34.93 77.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.232 -0.917 . . . . 0.31 109.045 179.742 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.604 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -59.35 -52.86 63.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.418 -0.802 . . . . 1.21 109.627 179.746 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 1.69 109.905 -179.591 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.47 -51.54 68.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.27 109.972 -179.569 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.2 mt -61.35 -43.55 98.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.3 109.75 -179.507 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.92 -38.54 82.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 1.93 109.801 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -64.77 -41.81 95.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.4 109.315 -179.722 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -40.39 94.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.426 -0.796 . . . . 1.59 108.946 179.566 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.83 -35.2 63.7 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.604 -0.685 . . . . 1.43 109.55 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.85 88.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.227 -0.921 . . . . 0.65 109.323 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.451 ' OE1' HD21 ' A' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.354 -0.841 . . . . 1.19 109.55 179.803 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.186 0.517 . . . . 2.11 109.674 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.85 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.64 109.36 179.808 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.3 m-85 -140.25 -174.95 4.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.49 109.429 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.9 p -153.08 159.76 42.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.073 -1.017 . . . . 0.47 109.736 -179.751 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.5 tp -148.22 130.27 15.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 0.42 109.349 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 37.9 tt0 -87.05 131.05 34.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 1.81 109.654 -179.874 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' C' ' 341' ' ' PHE . 50.6 mt -124.02 118.86 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.42 109.416 179.654 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 0.1 OUTLIER -74.16 136.45 42.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 2.35 109.574 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 103.14 129.87 6.79 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.929 -1.268 . . . . 0.41 109.929 179.679 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 55.7 ttt180 -74.89 -54.72 6.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.225 -1.162 . . . . 2.59 109.389 179.76 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.09 -45.89 86.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 2.54 109.484 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.7 OUTLIER -60.76 -41.7 96.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.31 -0.869 . . . . 3.39 109.283 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 329' ' ' THR . 61.8 t80 -55.98 -55.94 26.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.548 -0.72 . . . . 0.47 109.768 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.83 -33.74 17.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 1.66 110.025 -179.545 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.86 -49.19 75.83 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.08 -1.013 . . . . 0.61 109.768 -179.711 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 21.1 m-85 -61.59 -50.76 71.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.255 -0.903 . . . . 0.33 109.235 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.457 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.95 32.82 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 3.28 109.614 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.14 -48.66 80.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.78 109.436 -179.914 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.07 -35.05 77.5 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.243 -0.911 . . . . 0.38 109.044 179.739 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.58 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.31 -52.87 63.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.493 -0.754 . . . . 1.2 109.649 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.18 74.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 2.12 109.962 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.42 -51.59 68.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.26 110.005 -179.655 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.554 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.0 mt -61.33 -43.46 98.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.887 . . . . 0.4 109.803 -179.518 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.92 -38.62 82.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.948 . . . . 2.09 109.774 -179.921 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.698 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.82 -41.71 95.54 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.273 -0.892 . . . . 0.75 109.353 -179.711 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -40.4 94.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 2.19 108.923 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.83 -35.23 63.72 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.607 -0.683 . . . . 1.34 109.421 179.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.8 87.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.72 109.25 179.9 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' D' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.387 -0.821 . . . . 1.8 109.56 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.303 0.573 . . . . 1.67 109.638 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.86 15.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.093 -1.004 . . . . 0.61 109.34 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.5 m-85 -140.31 -174.91 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.197 -0.94 . . . . 0.56 109.432 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.9 p -153.03 159.73 42.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.103 -0.998 . . . . 0.43 109.621 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -148.22 130.21 15.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.35 109.463 -179.89 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.89 34.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.911 . . . . 1.37 109.658 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 50.5 mt -123.91 118.82 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 0.48 109.451 179.694 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 0.1 OUTLIER -74.06 136.32 43.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.081 -1.012 . . . . 2.08 109.61 179.979 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 103.17 130.01 6.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.839 -1.304 . . . . 0.4 109.839 179.611 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 55.7 ttt180 -75.0 -54.52 7.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -1.126 . . . . 2.64 109.525 179.778 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.27 -45.84 87.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 2.22 109.491 179.906 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.7 OUTLIER -60.64 -41.81 95.67 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.236 -0.915 . . . . 2.74 109.255 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' B' ' 329' ' ' THR . 61.6 t80 -55.94 -55.93 26.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.43 109.811 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.76 -33.8 17.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.69 110.041 -179.567 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.75 -49.16 76.1 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.136 -0.978 . . . . 0.43 109.818 -179.648 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.8 m-85 -61.74 -50.68 71.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.27 109.145 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.463 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.69 -35.91 33.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.44 -0.787 . . . . 2.45 109.519 179.89 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.19 -48.58 81.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.165 -0.959 . . . . 1.75 109.454 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.01 -35.2 77.83 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.202 -0.936 . . . . 0.31 109.004 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.614 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.6 t-20 -59.45 -52.77 64.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.423 -0.798 . . . . 1.22 109.621 179.858 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.84 -33.06 74.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.358 -0.839 . . . . 1.73 109.947 -179.662 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -51.56 68.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.28 109.981 -179.654 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.6 mt -61.31 -43.53 98.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.31 -0.869 . . . . 0.31 109.837 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -59.9 -38.56 82.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.354 -0.842 . . . . 1.91 109.794 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.686 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -64.76 -41.78 95.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 0.43 109.267 -179.689 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.3 OUTLIER -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 1.57 108.996 179.562 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.85 -35.09 63.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.585 -0.697 . . . . 1.44 109.532 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.89 87.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 0.64 109.234 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.489 ' OE1' HD21 ' C' ' 350' ' ' LEU . 7.3 mt-30 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 1.21 109.48 179.832 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.507 -0.553 . . . . 1.7 109.507 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 25.1 m-85 -93.34 154.58 17.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.61 109.307 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.34 -168.92 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.173 -0.954 . . . . 0.58 109.734 -179.708 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.5 p -153.15 157.75 40.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.42 109.295 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -149.41 136.08 19.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 0.36 109.52 -179.729 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.84 130.79 34.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 1.37 109.365 -179.996 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.4 mt -123.86 112.49 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.47 109.557 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.3 41.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 2.1 109.471 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 138.28 8.01 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.755 -1.338 . . . . 0.42 109.755 179.838 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 31.5 ttm180 -80.7 -58.48 3.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.351 -1.088 . . . . 2.68 109.47 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.72 -43.68 85.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.22 109.452 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.42 -43.5 96.68 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 2.77 109.302 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.492 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -55.35 -56.4 20.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.43 109.546 179.897 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.44 -34.98 37.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.66 110.001 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.93 -48.65 77.99 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.072 -1.018 . . . . 0.44 109.95 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.31 -46.47 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.185 -0.947 . . . . 0.29 109.152 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -41.51 63.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 2.44 109.736 179.805 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.38 81.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.249 -0.907 . . . . 1.74 110.051 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' B' ' 344' ' ' LEU . 46.1 mt -61.61 -34.12 75.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.986 . . . . 0.3 108.925 179.9 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.552 ' HB2' HD21 ' C' ' 330' ' ' LEU . 25.9 t-20 -59.77 -57.74 11.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.398 -0.814 . . . . 1.22 109.432 179.715 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 1.72 109.891 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -52.95 63.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.931 . . . . 0.27 109.811 -179.667 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.44 -38.52 87.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.29 109.437 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.21 -38.06 82.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 1.91 109.667 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 9.8 tp -63.69 -46.52 85.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.41 109.609 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HE3' ' HG3' ' B' ' 346' ' ' GLU . 12.1 ttmm -61.3 -36.16 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 1.56 109.039 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -56.82 -35.99 69.44 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 1.43 109.757 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.78 -49.89 64.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.66 109.591 -179.847 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.442 ' NE2' HD21 ' B' ' 350' ' ' LEU . 19.0 mt-30 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.18 109.728 179.992 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.265 0.555 . . . . 1.61 109.514 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.7 m-85 -93.4 154.75 17.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.57 109.315 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.3 m-85 -139.45 -169.0 2.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.256 -0.902 . . . . 0.53 109.717 -179.664 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.408 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.5 p -153.18 157.66 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.38 109.365 -179.899 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.9 tp -149.24 136.12 19.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.36 109.573 -179.628 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.89 130.66 34.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 1.36 109.455 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.2 mt -123.73 112.49 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.49 109.578 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.3 151.31 41.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 2.1 109.433 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.1 7.94 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.756 -1.338 . . . . 0.44 109.756 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.5 ttm180 -80.46 -58.44 3.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -1.088 . . . . 2.72 109.642 179.919 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.82 -43.57 85.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 2.21 109.51 179.924 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 4.2 ttm180 -60.38 -43.58 96.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.237 -0.914 . . . . 2.79 109.385 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' B' ' 332' ' ' ILE . 40.8 t80 -55.3 -56.41 20.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.45 109.579 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.37 -34.99 36.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 1.68 110.006 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.97 -48.68 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.099 -1.001 . . . . 0.43 109.943 -179.48 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.8 m-85 -61.29 -46.38 90.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.116 -0.99 . . . . 0.28 109.21 -179.922 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -41.4 63.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.429 -0.794 . . . . 2.52 109.792 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.54 -48.32 82.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 1.75 109.943 -179.532 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' A' ' 344' ' ' LEU . 46.3 mt -61.72 -34.02 75.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.31 108.979 179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 26.0 t-20 -59.7 -57.71 11.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.434 -0.791 . . . . 1.21 109.494 179.61 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.407 ' HG3' ' HE3' ' A' ' 351' ' ' LYS . 12.7 pt-20 -62.7 -27.38 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 1.69 109.848 -179.771 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.84 -53.12 61.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.169 -0.957 . . . . 0.27 109.763 -179.652 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 62.4 mt -61.43 -38.5 87.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 0.3 109.384 -179.744 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.15 -38.01 81.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.93 109.695 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.442 HD21 ' NE2' ' A' ' 354' ' ' GLN . 9.7 tp -63.75 -46.55 84.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.349 -0.844 . . . . 0.4 109.527 -179.765 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.1 ttmm -61.3 -36.18 79.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.463 -0.773 . . . . 1.59 109.084 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -56.7 -36.11 69.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 1.43 109.731 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -50.02 64.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.65 109.579 -179.761 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 1.19 109.73 179.927 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.366 0.603 . . . . 2.11 109.443 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.2 m-85 -93.34 154.76 17.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.64 109.32 179.877 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.3 m-85 -139.5 -169.02 2.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.246 -0.909 . . . . 0.49 109.812 -179.684 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.6 p -153.11 157.72 40.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.47 109.316 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 345' ' ' ASN . 23.7 tp -149.36 136.1 19.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.202 -0.936 . . . . 0.42 109.565 -179.709 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -85.87 130.79 34.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 1.81 109.41 179.994 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 31.5 mt -123.87 112.46 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.195 -0.941 . . . . 0.42 109.441 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.27 41.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.413 -0.804 . . . . 2.35 109.527 179.767 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 138.08 7.89 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.764 -1.334 . . . . 0.41 109.764 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.443 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 31.5 ttm180 -80.47 -58.44 3.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 2.59 109.545 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.71 -43.66 85.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.357 -0.839 . . . . 2.54 109.437 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -60.42 -43.53 96.65 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.242 -0.911 . . . . 3.39 109.287 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -55.45 -56.25 22.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.476 -0.765 . . . . 0.47 109.547 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -51.46 -35.0 37.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.66 109.964 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.86 -48.86 77.21 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.039 -1.038 . . . . 0.61 109.846 -179.436 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -61.18 -46.47 90.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.946 . . . . 0.33 109.193 -179.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.46 63.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 3.28 109.71 179.873 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.47 -48.35 81.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.207 -0.933 . . . . 1.78 110.037 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' D' ' 344' ' ' LEU . 45.7 mt -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.005 . . . . 0.38 109.055 179.847 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.514 ' HB2' HD21 ' A' ' 330' ' ' LEU . 25.9 t-20 -59.63 -57.7 11.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.504 -0.747 . . . . 1.2 109.504 179.606 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.71 -27.37 69.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.537 -0.727 . . . . 2.12 109.872 -179.711 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.93 -53.04 62.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.138 -0.976 . . . . 0.26 109.78 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.36 -38.58 87.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.4 109.419 -179.824 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.22 -37.92 81.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -0.878 . . . . 2.09 109.667 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.74 -46.57 84.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.874 . . . . 0.75 109.627 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -61.16 -36.21 79.2 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.359 -0.838 . . . . 2.19 109.146 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -56.86 -36.03 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 1.34 109.712 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -50.0 64.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.277 -0.889 . . . . 0.72 109.571 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 1.8 109.695 -179.975 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.516 -0.55 . . . . 1.67 109.516 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.2 m-85 -93.37 154.67 17.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.61 109.35 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 78.1 m-85 -139.39 -169.03 2.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.56 109.718 -179.65 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.5 p -153.18 157.7 40.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.43 109.216 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 24.0 tp -149.24 136.17 19.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.169 -0.957 . . . . 0.35 109.576 -179.74 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.97 130.8 34.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 1.37 109.358 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.8 mt -123.84 112.54 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.48 109.511 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.19 151.27 41.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.259 -0.901 . . . . 2.08 109.474 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.2 7.99 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.74 -1.344 . . . . 0.4 109.74 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 31.5 ttm180 -80.61 -58.55 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 2.64 109.518 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.68 -43.68 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 2.22 109.504 179.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.497 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 4.3 ttm180 -60.32 -43.55 96.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.257 -0.902 . . . . 2.74 109.333 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' D' ' 332' ' ' ILE . 40.4 t80 -55.41 -56.34 21.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.439 -0.788 . . . . 0.43 109.482 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -51.52 -34.84 37.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 1.69 109.994 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -62.91 -48.88 77.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.063 -1.023 . . . . 0.43 109.893 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.1 m-85 -61.19 -46.4 90.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.936 . . . . 0.27 109.205 -179.907 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -41.49 63.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 2.45 109.775 179.844 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.35 81.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 1.75 110.035 -179.57 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' C' ' 344' ' ' LEU . 46.1 mt -61.69 -34.01 75.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.91 . . . . 0.31 109.013 179.845 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HB2' HD21 ' B' ' 330' ' ' LEU . 25.9 t-20 -59.69 -57.74 11.63 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.4 -0.813 . . . . 1.22 109.514 179.601 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.67 -27.3 69.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 1.73 109.92 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.01 62.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.28 109.717 -179.605 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 62.2 mt -61.39 -38.61 87.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.272 -0.893 . . . . 0.31 109.384 -179.799 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -37.95 81.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.91 109.749 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.83 -46.48 84.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.43 109.566 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.31 -36.14 79.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 1.57 109.105 179.808 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.76 -36.09 69.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.577 -0.702 . . . . 1.44 109.801 179.796 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -49.98 64.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.214 -0.929 . . . . 0.64 109.668 -179.882 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.362 -0.836 . . . . 1.21 109.615 -179.991 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.365 0.602 . . . . 1.7 109.769 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.8 153.2 18.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -0.933 . . . . 0.61 109.386 179.6 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.3 m-85 -140.26 -175.19 4.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.58 109.275 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 8.5 p -152.65 162.61 41.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.086 -1.009 . . . . 0.42 109.557 -179.684 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' C' ' 345' ' ' ASN . 44.2 tp -149.42 133.78 17.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.36 109.457 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.51 130.53 34.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.921 . . . . 1.37 109.483 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.7 mt -123.86 111.98 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.47 109.454 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.48 150.06 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 2.1 109.611 179.844 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.74 2.26 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -70.9 -50.44 34.92 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -1.124 . . . . 2.68 109.734 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.91 -47.98 81.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.21 -0.931 . . . . 2.22 109.649 -179.806 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.05 -39.3 85.48 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.242 -0.912 . . . . 2.77 109.629 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 332' ' ' ILE . 54.1 t80 -55.36 -53.15 59.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.357 -0.839 . . . . 0.43 109.699 -179.814 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.91 -37.36 43.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -0.862 . . . . 1.66 109.914 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.67 -47.46 83.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.18 -0.95 . . . . 0.44 110.116 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.84 -51.25 70.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.29 109.503 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -50.93 -35.22 32.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.377 -0.827 . . . . 2.44 109.823 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.08 -52.5 64.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.003 . . . . 1.74 110.027 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 72.8 mt -60.5 -34.62 74.34 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.105 -0.997 . . . . 0.3 109.17 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.492 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.3 t-20 -59.18 -52.42 65.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 1.22 109.472 179.483 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.24 -29.91 71.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.42 -0.8 . . . . 1.72 109.836 -179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.96 -55.94 24.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.27 109.962 -179.735 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.01 -42.18 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.29 109.614 -179.542 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.31 -36.86 76.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.91 109.691 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.787 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -66.11 -36.99 84.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.41 109.21 -179.873 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.483 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.59 -46.66 89.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.699 -0.852 . . . . 1.56 108.699 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -31.14 62.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.609 -0.682 . . . . 1.43 109.357 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.66 109.521 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.547 ' OE1' HD21 ' B' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.18 109.372 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 121.233 0.54 . . . . 1.61 109.764 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -97.69 153.18 18.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.34 -0.85 . . . . 0.57 109.357 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 63.8 m-85 -140.26 -175.12 4.14 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.188 -0.945 . . . . 0.53 109.211 179.707 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 8.6 p -152.69 162.69 40.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.091 -1.006 . . . . 0.38 109.632 -179.777 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' D' ' 345' ' ' ASN . 44.0 tp -149.46 133.82 17.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.384 -0.823 . . . . 0.36 109.334 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.61 130.5 34.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.36 109.488 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 338' ' ' PHE . 43.3 mt -123.8 111.93 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.191 -0.943 . . . . 0.49 109.564 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.51 150.11 41.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 2.1 109.505 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 123.83 2.28 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.795 -1.322 . . . . 0.44 109.795 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -71.08 -50.47 33.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -1.08 . . . . 2.72 109.66 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.78 -48.09 80.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.922 . . . . 2.21 109.631 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.19 -39.28 85.94 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.311 -0.868 . . . . 2.79 109.528 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.523 ' CD1' HD12 ' B' ' 332' ' ' ILE . 54.0 t80 -55.26 -53.26 58.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.45 109.728 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.76 -37.45 42.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 1.68 109.921 -179.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.63 -47.42 83.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.166 -0.959 . . . . 0.43 110.12 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.91 -51.25 70.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.28 109.412 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.96 -35.27 32.69 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.337 -0.852 . . . . 2.52 109.755 179.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.06 -52.61 64.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 1.75 109.996 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 72.8 mt -60.44 -34.57 74.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.31 109.143 -179.905 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.496 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.2 t-20 -59.33 -52.31 66.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.394 -0.816 . . . . 1.21 109.406 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.35 -29.77 71.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.38 -0.825 . . . . 1.69 109.764 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.09 -55.86 24.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.17 -0.956 . . . . 0.27 109.926 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.05 -42.21 98.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.3 109.645 -179.571 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.28 -36.93 76.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.93 109.643 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -66.03 -37.06 84.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -0.895 . . . . 0.4 109.128 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.533 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.1 tppp? -60.58 -46.74 89.1 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.653 -0.869 . . . . 1.59 108.653 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.9 -31.15 62.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.681 -0.637 . . . . 1.43 109.328 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.68 80.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.65 109.558 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.558 ' OE1' HD21 ' A' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 1.19 109.415 179.827 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.234 0.54 . . . . 2.11 109.79 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -97.71 153.23 18.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.64 109.347 179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.2 m-85 -140.35 -175.22 4.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.223 -0.923 . . . . 0.49 109.298 179.745 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 8.5 p -152.7 162.7 40.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.47 109.558 -179.691 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 345' ' ' ASN . 43.8 tp -149.51 133.76 17.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.305 -0.872 . . . . 0.42 109.412 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.57 130.49 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 1.81 109.509 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.9 mt -123.8 112.05 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.42 109.529 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.54 150.11 41.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 2.35 109.531 179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 123.95 2.3 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -71.19 -50.47 32.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -1.123 . . . . 2.59 109.575 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.93 -47.75 81.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 2.54 109.701 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.34 -39.23 86.37 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.348 -0.845 . . . . 3.39 109.535 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.7 t80 -55.48 -53.05 61.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.374 -0.829 . . . . 0.47 109.719 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.85 -37.5 43.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 1.66 109.877 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.65 -47.45 83.65 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.181 -0.949 . . . . 0.61 110.049 -179.339 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.81 -51.32 69.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.168 -0.958 . . . . 0.33 109.458 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.87 -35.32 32.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.895 . . . . 3.28 109.755 179.93 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.97 -52.58 64.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.12 -0.988 . . . . 1.78 109.993 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' D' ' 344' ' ' LEU . 72.3 mt -60.54 -34.55 74.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.38 109.101 -179.787 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.26 -52.41 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.848 . . . . 1.2 109.454 179.568 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.18 -29.85 71.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 2.12 109.848 -179.871 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.06 -55.86 24.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.26 109.946 -179.679 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.03 -42.15 97.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.356 -0.84 . . . . 0.4 109.666 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.36 -36.91 76.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 2.09 109.616 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.769 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -66.04 -36.99 84.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 0.75 109.16 -179.848 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.621 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.64 -46.68 89.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.745 -0.835 . . . . 2.19 108.745 179.551 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 -31.2 62.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.605 -0.684 . . . . 1.34 109.398 179.415 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.85 81.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.374 -0.829 . . . . 0.72 109.583 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.568 ' OE1' HD21 ' D' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 1.8 109.398 179.897 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.342 0.592 . . . . 1.67 109.751 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.71 153.25 18.37 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.945 . . . . 0.61 109.391 179.558 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 63.9 m-85 -140.44 -175.19 4.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.56 109.179 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.0 p -152.67 162.64 40.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.125 -0.984 . . . . 0.43 109.678 -179.642 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' B' ' 345' ' ' ASN . 43.8 tp -149.46 133.81 17.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.35 109.349 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.56 130.6 34.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.258 -0.901 . . . . 1.37 109.505 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' D' ' 338' ' ' PHE . 43.5 mt -123.94 112.01 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.18 -0.95 . . . . 0.48 109.435 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -73.5 149.94 41.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 2.08 109.545 179.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.14 123.77 2.31 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.694 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -70.96 -50.49 33.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -1.115 . . . . 2.64 109.635 179.969 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.94 -47.79 81.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.281 -0.887 . . . . 2.22 109.719 -179.74 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.25 -39.26 86.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.262 -0.899 . . . . 2.74 109.616 -179.863 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.52 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.5 t80 -55.39 -53.15 59.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.43 109.712 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -37.46 42.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 1.69 109.925 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -62.61 -47.37 84.06 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.3 -0.875 . . . . 0.43 110.13 -179.358 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.99 -51.16 70.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.135 -0.978 . . . . 0.27 109.416 -179.766 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -51.06 -35.24 33.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.84 . . . . 2.45 109.73 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.94 -52.72 63.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 1.75 109.978 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' C' ' 344' ' ' LEU . 72.4 mt -60.37 -34.67 74.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.31 109.172 -179.881 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.457 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.3 t-20 -59.26 -52.3 66.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 1.22 109.426 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.31 -29.89 71.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.73 109.802 -179.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.98 -55.9 24.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.28 109.953 -179.672 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.11 -42.18 98.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.223 -0.923 . . . . 0.31 109.523 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -59.38 -36.89 76.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.32 -0.862 . . . . 1.91 109.632 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.774 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -66.04 -36.97 84.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.43 109.231 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.1 tppp? -60.54 -46.77 88.96 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.694 -0.854 . . . . 1.57 108.694 179.47 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.91 -31.25 62.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.604 -0.685 . . . . 1.44 109.319 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.72 80.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.87 . . . . 0.64 109.524 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.614 ' OE1' HD21 ' C' ' 350' ' ' LEU . 4.5 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 1.21 109.407 179.953 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.239 0.542 . . . . 1.7 109.542 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 9.4 m-85 -96.05 160.78 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.334 -0.854 . . . . 0.61 109.656 179.924 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 329' ' ' THR . 97.5 m-85 -137.8 -169.53 2.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.105 -0.997 . . . . 0.58 109.424 179.97 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 22.0 p -154.17 154.48 33.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.96 . . . . 0.42 109.498 -179.829 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' C' ' 345' ' ' ASN . 21.1 tp -146.8 133.95 20.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.36 109.588 -179.831 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -86.67 129.5 34.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.805 . . . . 1.37 109.747 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.1 mt -124.12 109.63 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.47 109.388 179.68 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 1.9 ttt-85 -73.24 153.82 40.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 2.1 109.689 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.64 133.6 6.41 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.703 -1.359 . . . . 0.42 109.703 179.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttm180 -68.84 -57.62 5.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.43 -1.041 . . . . 2.68 109.496 179.846 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.43 -39.88 81.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 2.22 109.613 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.12 -48.34 80.5 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.209 -0.932 . . . . 2.77 109.949 -179.761 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' C' ' 329' ' ' THR . 19.1 t80 -55.1 -60.19 3.72 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.41 -0.806 . . . . 0.43 109.807 -179.853 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.46 -34.12 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 1.66 110.065 -179.69 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.24 -51.49 63.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.117 -0.99 . . . . 0.44 110.248 -179.314 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.714 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.9 m-85 -61.56 -54.67 39.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.141 -0.975 . . . . 0.29 109.346 -179.733 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.96 -34.08 19.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.45 -0.781 . . . . 2.44 109.53 179.826 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.81 -51.45 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 1.74 109.747 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' B' ' 344' ' ' LEU . 64.5 mt -60.99 -34.46 74.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.148 -0.97 . . . . 0.3 109.141 179.766 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.554 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.5 t-20 -59.19 -53.84 53.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.456 -0.778 . . . . 1.22 109.61 179.72 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.61 -31.1 72.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.414 -0.804 . . . . 1.72 109.995 -179.763 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.09 -55.77 28.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.24 -0.912 . . . . 0.27 109.942 -179.715 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.06 -43.55 98.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.887 . . . . 0.29 109.627 -179.689 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.46 -33.33 71.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.233 -0.917 . . . . 1.91 109.478 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.727 HD21 HE21 ' B' ' 354' ' ' GLN . 10.4 tp -65.15 -44.53 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.256 -0.902 . . . . 0.41 109.206 179.914 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.55 -48.84 79.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.479 -0.763 . . . . 1.56 109.147 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.79 -33.29 66.52 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.566 -0.709 . . . . 1.43 109.734 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.72 82.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.66 109.702 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.765 HE21 HD21 ' B' ' 350' ' ' LEU . 12.5 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.24 -0.912 . . . . 1.18 109.59 -179.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.48 -0.563 . . . . 1.61 109.48 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -96.11 160.72 14.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.57 109.558 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 97.5 m-85 -137.76 -169.41 2.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.53 109.44 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 22.2 p -154.18 154.63 33.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.17 -0.956 . . . . 0.38 109.517 -179.867 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.6 tp -146.96 133.9 20.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.36 109.627 -179.814 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 28.8 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.461 -0.774 . . . . 1.36 109.712 -179.716 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.1 mt -123.98 109.69 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.49 109.386 179.701 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.504 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.9 ttt-85 -73.38 153.64 40.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 2.1 109.696 -179.888 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.67 133.47 6.37 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.843 -1.303 . . . . 0.44 109.843 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.73 -57.62 5.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -1.092 . . . . 2.72 109.518 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.27 -40.07 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -0.88 . . . . 2.21 109.564 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.01 -48.47 79.94 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.266 -0.896 . . . . 2.79 109.913 -179.701 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 19.3 t80 -55.09 -60.09 3.85 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.37 -0.831 . . . . 0.45 109.783 -179.753 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.45 -34.26 24.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.68 110.009 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.21 -51.45 63.65 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.243 -0.91 . . . . 0.43 110.301 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.715 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.7 m-85 -61.55 -54.76 38.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.136 -0.977 . . . . 0.28 109.334 -179.744 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.76 -34.19 18.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 2.52 109.505 179.8 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -60.82 -51.42 69.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 1.75 109.782 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' A' ' 344' ' ' LEU . 65.4 mt -60.96 -34.53 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 0.31 109.108 179.819 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.516 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.5 t-20 -59.08 -53.92 52.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.391 -0.818 . . . . 1.21 109.591 179.699 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.58 -31.04 72.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.385 -0.822 . . . . 1.69 110.033 -179.732 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.27 -55.73 28.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.27 109.882 -179.617 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.98 -43.6 98.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 0.3 109.64 -179.706 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.46 -33.29 71.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 1.93 109.465 179.908 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.765 HD21 HE21 ' A' ' 354' ' ' GLN . 10.5 tp -65.08 -44.46 88.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.914 . . . . 0.4 109.338 179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 17.7 ttmm -61.75 -48.8 79.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 1.59 109.073 179.749 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -56.77 -33.28 66.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.741 . . . . 1.43 109.777 179.745 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.62 82.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.65 109.725 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.727 HE21 HD21 ' A' ' 350' ' ' LEU . 12.4 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.19 109.691 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.264 0.554 . . . . 2.11 109.573 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 9.4 m-85 -95.99 160.99 14.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.207 -0.933 . . . . 0.64 109.506 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.4 m-85 -138.05 -169.65 2.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.49 109.424 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 22.0 p -154.11 154.51 33.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.47 109.551 -179.936 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.3 tp -146.72 133.84 20.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.42 109.612 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 28.5 tt0 -86.7 129.45 34.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 1.81 109.685 -179.757 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' C' ' 341' ' ' PHE . 30.8 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.21 -0.931 . . . . 0.42 109.347 179.661 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.498 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.0 ttt-85 -73.36 153.86 40.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.35 109.647 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.54 133.35 6.27 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.758 -1.337 . . . . 0.41 109.758 179.621 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.63 -57.67 5.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.242 -1.152 . . . . 2.59 109.448 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.37 -39.85 80.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 2.54 109.62 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.446 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.1 -48.42 80.25 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.234 -0.917 . . . . 3.39 109.803 -179.696 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 329' ' ' THR . 19.4 t80 -55.27 -59.97 4.04 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.387 -0.821 . . . . 0.47 109.816 -179.691 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.49 -34.19 24.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.308 -0.87 . . . . 1.66 110.039 -179.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -64.16 -51.58 63.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.093 -1.005 . . . . 0.61 110.256 -179.306 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.5 m-85 -61.56 -54.65 40.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.235 -0.916 . . . . 0.33 109.354 -179.677 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.0 -34.0 19.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.375 -0.828 . . . . 3.28 109.472 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.88 -51.38 69.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.16 -0.963 . . . . 1.78 109.711 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.11 -34.43 74.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.38 109.037 179.84 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.506 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.5 t-20 -59.09 -53.94 52.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.502 -0.748 . . . . 1.2 109.529 179.738 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.64 -31.16 72.25 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.347 -0.845 . . . . 2.12 109.897 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.14 -55.72 29.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 0.26 109.924 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.01 -43.66 98.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.42 -0.8 . . . . 0.4 109.584 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.43 -33.3 71.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 2.09 109.507 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.723 HD21 HE21 ' D' ' 354' ' ' GLN . 10.5 tp -65.13 -44.4 88.79 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.75 109.311 179.819 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -48.88 78.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.512 -0.743 . . . . 2.19 109.03 179.767 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.64 -33.37 66.25 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.496 -0.752 . . . . 1.34 109.682 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.67 82.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.72 109.747 -179.661 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.712 HE21 HD21 ' D' ' 350' ' ' LEU . 12.5 mt-30 . . . . . 0 N--CA 1.489 1.513 0 O-C-N 121.189 -0.944 . . . . 1.8 109.703 -179.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.251 0.548 . . . . 1.67 109.552 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 9.3 m-85 -95.95 160.73 14.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.61 109.59 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.423 ' O ' HG23 ' D' ' 329' ' ' THR . 97.5 m-85 -137.75 -169.53 2.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.161 -0.962 . . . . 0.56 109.498 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 22.0 p -154.16 154.6 33.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.43 109.509 -179.854 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.4 tp -146.92 133.94 20.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.22 -0.925 . . . . 0.35 109.628 -179.836 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 28.5 tt0 -86.62 129.38 34.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.856 . . . . 1.37 109.714 -179.743 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.1 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.859 . . . . 0.48 109.381 179.615 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.492 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.9 ttt-85 -73.42 153.71 40.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.273 -0.892 . . . . 2.08 109.709 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.63 133.23 6.26 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.828 -1.309 . . . . 0.4 109.828 179.703 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -68.46 -57.69 5.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -1.103 . . . . 2.64 109.571 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.25 -40.01 80.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.413 -0.804 . . . . 2.22 109.621 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.287 -0.883 . . . . 2.74 109.9 -179.63 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 19.3 t80 -55.16 -60.02 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.488 -0.758 . . . . 0.43 109.878 -179.808 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.56 -34.22 24.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 1.69 109.939 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.17 -51.42 63.88 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.107 -0.996 . . . . 0.43 110.296 -179.328 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -61.59 -54.72 39.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 0.27 109.323 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -49.95 -34.0 19.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 2.45 109.573 179.854 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.85 -51.39 69.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.063 -1.023 . . . . 1.75 109.778 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -61.05 -34.38 74.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.31 109.156 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.518 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.5 t-20 -59.12 -53.9 53.11 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.354 -0.841 . . . . 1.22 109.648 179.642 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.68 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.826 . . . . 1.73 109.937 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.16 -55.86 27.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.28 109.854 -179.656 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.99 -43.48 98.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.376 -0.827 . . . . 0.31 109.669 -179.699 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.44 -33.34 71.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 1.91 109.432 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.712 HD21 HE21 ' C' ' 354' ' ' GLN . 10.5 tp -65.11 -44.49 88.58 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.43 109.273 179.875 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.739 . . . . 1.57 109.113 179.755 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.62 -33.35 66.19 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.59 -0.694 . . . . 1.44 109.719 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.61 82.61 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.64 109.681 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.723 HE21 HD21 ' C' ' 350' ' ' LEU . 12.6 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.21 109.613 -179.946 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.264 -0.643 . . . . 1.7 109.264 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' HB3' ' CD ' ' C' ' 331' ' ' GLN . 42.3 m-85 -93.07 160.33 14.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.61 109.559 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.1 2.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 0.58 109.389 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.6 p -155.35 151.84 28.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 0.42 109.487 -179.873 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -147.24 131.42 17.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.226 -0.921 . . . . 0.36 109.47 -179.626 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.9 tt0 -86.67 134.01 33.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.89 . . . . 1.37 109.726 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.8 mt -124.15 115.15 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.47 109.359 179.563 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.92 44.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 2.1 109.731 179.9 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.57 135.04 8.51 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.868 -1.293 . . . . 0.42 109.868 179.639 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 39.8 ttm180 -71.06 -56.94 5.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.458 -1.025 . . . . 2.68 109.569 179.877 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.31 -39.54 79.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -0.864 . . . . 2.22 109.577 -179.894 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.466 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.73 -46.36 84.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.128 -0.983 . . . . 2.77 109.904 -179.579 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.8 t80 -55.23 -59.13 5.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.43 109.713 -179.73 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.24 -35.9 39.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 1.66 110.05 -179.571 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.22 -49.96 72.12 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.23 -0.919 . . . . 0.44 110.35 -179.036 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.0 m-85 -62.4 -51.6 66.93 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.103 -0.998 . . . . 0.29 109.338 -179.648 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -50.22 -36.33 30.36 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.776 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.91 -50.13 74.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.032 -1.042 . . . . 1.74 109.638 -179.695 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' B' ' 344' ' ' LEU . 95.9 mt -61.7 -33.16 73.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.231 -0.918 . . . . 0.3 108.995 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.62 -55.6 32.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 1.22 109.671 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.59 -31.8 73.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 1.72 110.122 -179.422 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -57.55 12.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.109 -0.994 . . . . 0.27 110.025 -179.605 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.72 -41.36 95.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.29 109.642 -179.435 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.42 -34.49 74.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.235 -0.916 . . . . 1.91 109.735 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.2 tt -65.7 -46.5 78.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.41 109.476 -179.485 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.2 -40.08 92.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.56 108.945 179.694 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.59 -32.49 65.28 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.602 -0.686 . . . . 1.43 109.747 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.33 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.66 109.556 -179.763 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 1.18 109.679 179.841 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.317 -0.623 . . . . 1.61 109.317 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 41.8 m-85 -93.1 160.18 14.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.199 -0.938 . . . . 0.57 109.511 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 99.5 m-85 -137.08 -168.37 2.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.53 109.429 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -155.1 151.89 28.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -0.958 . . . . 0.38 109.547 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -147.14 131.67 17.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.36 109.507 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.8 tt0 -86.99 133.82 33.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 1.36 109.653 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' B' ' 341' ' ' PHE . 37.7 mt -124.04 115.33 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.49 109.361 179.586 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 145.93 43.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.169 -0.957 . . . . 2.1 109.587 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.84 8.43 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.887 -1.285 . . . . 0.44 109.887 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 39.9 ttm180 -70.95 -56.97 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.72 109.571 179.869 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.18 -39.57 79.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 2.21 109.677 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.69 -46.32 84.47 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.33 -0.856 . . . . 2.79 109.942 -179.566 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.8 t80 -55.29 -59.11 5.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.37 -0.831 . . . . 0.45 109.702 -179.718 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.32 -35.84 39.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 1.68 110.038 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.2 -50.08 71.71 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.159 -0.963 . . . . 0.43 110.298 -179.075 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.2 m-85 -62.38 -51.48 67.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.072 . . . . 0.28 109.409 -179.646 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.21 -36.53 31.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.38 -0.825 . . . . 2.52 109.742 179.922 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.82 -50.11 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.077 -1.014 . . . . 1.75 109.665 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 344' ' ' LEU . 95.9 mt -61.76 -33.16 73.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.31 108.997 179.827 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.49 -55.72 31.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -0.8 . . . . 1.21 109.616 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.57 -31.6 72.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -0.835 . . . . 1.69 110.131 -179.373 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.32 -57.46 12.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.27 110.054 -179.547 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.8 -41.23 95.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.3 109.649 -179.465 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.48 -34.52 74.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.93 109.706 -179.965 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.2 tt -65.67 -46.47 78.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.921 . . . . 0.4 109.533 -179.514 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.22 -40.0 92.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 1.59 108.976 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.63 -32.6 65.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.684 -0.635 . . . . 1.43 109.606 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -53.36 35.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.65 109.637 -179.799 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.314 -0.866 . . . . 1.19 109.623 179.846 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.298 -0.63 . . . . 2.11 109.298 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.409 ' HB3' ' CD ' ' A' ' 331' ' ' GLN . 42.8 m-85 -93.18 160.35 14.88 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.121 -0.987 . . . . 0.64 109.499 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.505 ' O ' HG23 ' C' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.18 2.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.49 109.302 -179.905 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.7 p -155.35 151.78 28.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.47 109.526 -179.923 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.1 131.4 17.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.42 109.484 -179.585 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.9 tt0 -86.63 133.99 33.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.81 109.733 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' C' ' 341' ' ' PHE . 37.3 mt -124.2 115.21 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 0.42 109.413 179.517 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 145.89 44.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 2.35 109.65 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.95 8.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.568 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 39.9 ttm180 -71.11 -56.86 5.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -1.045 . . . . 2.59 109.505 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.19 -39.67 79.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 2.54 109.632 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.455 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.74 -46.33 84.6 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.312 -0.868 . . . . 3.39 109.889 -179.474 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.8 t80 -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.347 -0.846 . . . . 0.47 109.723 -179.782 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.37 -35.82 40.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.898 . . . . 1.66 110.059 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.16 -50.05 71.9 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.258 -0.901 . . . . 0.61 110.318 -179.083 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.1 m-85 -62.44 -51.45 67.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.082 -1.011 . . . . 0.33 109.359 -179.611 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.31 -36.32 31.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 3.28 109.805 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.04 -49.88 75.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.045 -1.035 . . . . 1.78 109.637 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' D' ' 344' ' ' LEU . 95.9 mt -62.05 -32.97 73.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.155 -0.966 . . . . 0.38 108.9 179.842 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.66 -55.6 32.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 1.2 109.648 179.7 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.65 -31.55 72.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.446 -0.784 . . . . 2.12 110.094 -179.386 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.46 -57.49 11.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.175 -0.953 . . . . 0.26 109.894 -179.501 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.57 -41.55 94.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.4 109.607 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.35 -34.59 74.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 2.09 109.759 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.669 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.2 tt -65.58 -46.49 79.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.75 109.54 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.24 -39.96 92.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 2.19 108.987 179.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.67 -32.48 65.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 1.34 109.65 179.751 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.37 34.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.72 109.553 -179.725 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 1.8 109.686 179.891 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.238 -0.652 . . . . 1.67 109.238 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 41.6 m-85 -93.08 160.32 14.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 0.61 109.552 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.493 ' O ' HG23 ' D' ' 329' ' ' THR . 99.6 m-85 -137.21 -168.37 2.28 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.56 109.407 -179.967 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.569 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.8 p -155.32 151.33 27.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.43 109.529 -179.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.75 131.65 18.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.196 -0.94 . . . . 0.35 109.446 -179.622 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -86.86 133.85 33.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.327 -0.858 . . . . 1.37 109.604 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.5 mt -123.98 115.41 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.48 109.424 179.48 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 145.85 43.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.175 -0.953 . . . . 2.08 109.645 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.41 135.15 8.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.903 -1.279 . . . . 0.4 109.903 179.629 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 39.8 ttm180 -70.92 -57.11 4.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -1.124 . . . . 2.64 109.595 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.22 -39.57 79.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -0.909 . . . . 2.22 109.651 -179.921 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -46.39 84.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.248 -0.908 . . . . 2.74 109.885 -179.585 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -55.32 -58.93 5.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.43 109.724 -179.66 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.45 -35.86 41.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.396 -0.815 . . . . 1.69 110.032 -179.594 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.17 -50.0 72.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.124 -0.985 . . . . 0.43 110.354 -179.044 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.1 m-85 -62.29 -51.61 67.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.062 -1.024 . . . . 0.27 109.397 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -50.19 -36.51 30.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 2.45 109.686 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.94 -49.99 75.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 1.75 109.61 -179.516 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' C' ' 344' ' ' LEU . 95.9 mt -61.81 -33.1 73.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.295 -0.878 . . . . 0.31 108.965 179.805 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.67 -55.68 31.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 1.22 109.577 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.55 -31.52 72.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 1.73 110.173 -179.462 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.49 -57.51 11.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.28 109.979 -179.528 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.63 -41.37 94.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.31 109.655 -179.484 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -34.46 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 1.91 109.775 179.989 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.2 tt -65.69 -46.51 78.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.43 109.476 -179.558 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.05 -40.09 92.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 1.57 109.049 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.7 -32.49 65.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.631 -0.668 . . . . 1.44 109.624 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -53.34 34.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.64 109.572 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.284 -0.885 . . . . 1.21 109.705 179.759 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.279 0.561 . . . . 1.7 109.623 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.32 160.51 14.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 0.61 109.428 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.631 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.9 m-85 -140.31 -173.75 3.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.58 109.515 -179.977 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 70.2 p -153.21 157.26 39.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.42 109.549 -179.72 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.03 130.9 16.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.941 . . . . 0.36 109.414 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.5 tt0 -86.56 131.1 34.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 1.37 109.646 -179.736 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.86 115.36 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.47 109.548 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -73.33 147.53 44.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 2.1 109.466 179.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.06 131.6 5.85 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.784 -1.326 . . . . 0.42 109.784 179.655 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 24.4 ttp180 -74.21 -54.03 8.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.362 179.846 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.33 -43.66 88.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 2.22 109.568 179.899 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.97 -42.8 99.03 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.305 -0.872 . . . . 2.77 109.403 179.927 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.9 t80 -55.8 -53.24 59.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.786 . . . . 0.43 109.822 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.85 -36.07 35.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 1.66 109.989 -179.688 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.29 -48.8 76.59 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.463 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -61.33 -54.79 39.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.187 -0.945 . . . . 0.29 109.384 -179.755 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -50.96 -34.55 29.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 2.44 109.544 179.84 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.64 -51.12 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.177 -0.952 . . . . 1.74 109.73 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' B' ' 344' ' ' LEU . 59.9 mt -61.65 -34.36 75.57 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.182 -0.949 . . . . 0.3 109.062 179.829 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.9 t-20 -59.07 -51.58 69.43 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.415 -0.803 . . . . 1.22 109.402 179.543 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.58 74.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 1.72 109.65 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.31 -50.6 72.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 0.27 109.92 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.521 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.3 mt -61.78 -45.62 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.29 109.739 -179.585 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -35.19 73.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.983 . . . . 1.91 109.707 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.525 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 30.5 tp -65.31 -46.05 81.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.41 109.555 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.41 -38.3 86.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.278 -0.888 . . . . 1.56 108.762 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.66 -37.06 70.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.511 -0.743 . . . . 1.43 109.345 179.668 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.286 -0.883 . . . . 0.66 109.484 179.887 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.18 109.648 179.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.226 0.536 . . . . 1.61 109.597 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -93.31 160.58 14.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.57 109.462 179.878 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.9 m-85 -140.35 -173.79 3.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 0.53 109.483 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 71.9 p -153.19 157.4 40.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 0.38 109.632 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.18 130.89 15.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.927 . . . . 0.36 109.272 -179.884 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.5 tt0 -86.53 131.23 34.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.36 109.632 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.6 mt -123.98 115.41 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.49 109.569 179.759 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 6.1 ttt180 -73.47 147.65 43.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 2.1 109.587 179.933 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 92.96 131.63 5.83 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.811 -1.315 . . . . 0.44 109.811 179.767 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.456 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 24.3 ttp180 -74.22 -53.93 8.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -1.092 . . . . 2.72 109.357 179.866 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.41 -43.67 88.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 2.21 109.428 179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' D' ' 348' ' ' LEU . 0.2 OUTLIER -61.06 -42.59 98.78 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.394 -0.816 . . . . 2.79 109.423 -179.95 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.0 t80 -55.97 -53.27 58.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.419 -0.8 . . . . 0.45 109.741 -179.846 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.78 -36.09 35.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.307 -0.87 . . . . 1.68 109.994 -179.693 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.23 -48.83 76.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.137 -0.977 . . . . 0.43 110.133 -179.458 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.3 m-85 -61.35 -54.77 39.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.957 . . . . 0.28 109.408 -179.766 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -50.9 -34.52 28.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.395 -0.816 . . . . 2.52 109.619 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.68 -51.22 70.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 1.75 109.666 -179.849 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' A' ' 344' ' ' LEU . 59.8 mt -61.66 -34.21 75.32 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.294 -0.879 . . . . 0.31 109.109 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.612 ' HB2' HD21 ' D' ' 330' ' ' LEU . 16.0 t-20 -59.09 -51.7 68.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.21 109.333 179.534 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.07 -32.67 74.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 1.69 109.675 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.19 -50.64 72.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.27 109.939 -179.796 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.494 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.3 mt -61.72 -45.64 93.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.3 109.773 -179.604 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.54 -35.31 73.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.93 109.679 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 30.2 tp -65.24 -46.05 82.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.4 109.543 -179.781 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.41 -38.36 86.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 1.59 108.823 179.796 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.56 -36.98 69.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.567 -0.708 . . . . 1.43 109.416 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.2 78.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.306 -0.871 . . . . 0.65 109.41 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.19 109.61 -179.997 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.306 0.574 . . . . 2.11 109.588 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.33 160.45 14.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 0.64 109.45 179.94 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.9 m-85 -140.26 -173.81 3.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.49 109.474 -179.979 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 70.8 p -153.06 157.37 40.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.169 -0.957 . . . . 0.47 109.639 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.05 130.78 16.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.91 . . . . 0.42 109.427 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.5 tt0 -86.52 131.11 34.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 1.81 109.73 -179.851 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.82 115.41 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.893 . . . . 0.42 109.577 179.763 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -73.4 147.5 44.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 2.35 109.556 179.843 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.0 131.69 5.87 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.836 -1.305 . . . . 0.41 109.836 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.631 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 24.2 ttp180 -74.31 -53.92 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -1.1 . . . . 2.59 109.341 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.38 -43.88 88.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.335 -0.853 . . . . 2.54 109.468 179.98 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.445 ' NH2' ' HB2' ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.83 -42.71 98.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.334 -0.854 . . . . 3.39 109.439 179.971 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.537 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.0 t80 -55.89 -53.26 58.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.484 -0.76 . . . . 0.47 109.79 -179.847 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.86 -36.1 36.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 1.66 109.928 -179.659 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.23 -48.9 76.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.116 -0.99 . . . . 0.61 110.075 -179.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.5 m-85 -61.25 -54.91 38.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.33 109.403 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.52 28.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 3.28 109.61 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -60.73 -51.05 71.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 1.78 109.71 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' D' ' 344' ' ' LEU . 59.0 mt -61.74 -34.26 75.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -0.906 . . . . 0.38 109.048 179.791 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.732 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.9 t-20 -59.09 -51.65 69.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.382 -0.824 . . . . 1.2 109.26 179.618 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.16 -32.57 74.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.85 . . . . 2.12 109.612 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.41 -50.52 72.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.26 109.899 -179.724 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.3 mt -61.7 -45.78 92.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.206 -0.934 . . . . 0.4 109.731 -179.652 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.47 -35.23 73.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.09 109.683 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.509 HD13 ' NE2' ' D' ' 354' ' ' GLN . 30.5 tp -65.24 -46.21 81.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.75 109.576 -179.817 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.21 -38.43 86.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.407 -0.808 . . . . 2.19 108.846 179.802 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.54 -37.01 69.91 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.472 -0.768 . . . . 1.34 109.395 179.587 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.16 78.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.72 109.368 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.473 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 1.8 109.643 -179.933 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.257 0.551 . . . . 1.67 109.64 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.3 160.59 14.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.61 109.419 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.9 m-85 -140.4 -173.75 3.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.56 109.438 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.435 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 69.3 p -153.17 157.39 40.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.253 -0.905 . . . . 0.43 109.575 -179.666 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.18 130.9 15.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.375 -0.828 . . . . 0.35 109.37 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 5.5 tt0 -86.65 131.33 34.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.37 109.599 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.7 mt -124.0 115.43 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.48 109.446 179.873 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 6.0 ttt180 -73.42 147.58 44.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 2.08 109.469 179.901 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 93.0 131.6 5.83 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.676 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 24.4 ttp180 -74.19 -53.92 8.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -1.121 . . . . 2.64 109.41 179.806 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.44 -43.76 88.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 2.22 109.463 179.988 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.89 -42.68 98.44 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.278 -0.889 . . . . 2.74 109.434 179.953 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' D' ' 332' ' ' ILE . 45.2 t80 -55.84 -53.32 58.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.43 109.718 -179.838 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -50.92 -36.07 36.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 1.69 109.881 -179.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.15 -48.97 76.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.195 -0.941 . . . . 0.43 110.119 -179.444 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.63 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.8 m-85 -61.2 -54.83 39.31 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.126 -0.984 . . . . 0.27 109.446 -179.793 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.53 28.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 2.45 109.603 179.835 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.7 -51.27 70.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 1.75 109.652 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' C' ' 344' ' ' LEU . 60.6 mt -61.58 -34.31 75.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.247 -0.908 . . . . 0.31 109.104 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.661 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.9 t-20 -59.06 -51.68 69.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.384 -0.823 . . . . 1.22 109.315 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.14 -32.63 74.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.821 . . . . 1.73 109.613 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -50.56 72.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 0.28 109.945 -179.733 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.516 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.2 mt -61.77 -45.67 92.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.31 109.731 -179.698 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.51 -35.3 73.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 1.91 109.635 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.5 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 30.7 tp -65.23 -46.1 81.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.814 . . . . 0.43 109.582 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.27 -38.34 86.37 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.37 -0.831 . . . . 1.57 108.876 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.61 -36.97 70.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.488 -0.757 . . . . 1.44 109.43 179.54 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.13 78.44 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.64 109.478 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.509 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 1.21 109.641 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 27.9 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.237 -0.653 . . . . 1.7 109.237 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -95.51 146.34 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.14 -0.975 . . . . 0.61 109.775 179.937 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.8 m-85 -137.62 -173.19 3.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.205 -0.934 . . . . 0.58 109.376 179.926 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.9 p -152.55 164.77 36.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 0.42 109.255 -179.941 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.28 131.95 16.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.36 109.62 -179.68 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.46 127.79 34.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.342 -0.849 . . . . 1.37 109.132 179.755 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 338' ' ' PHE . 40.0 mt -123.53 109.54 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.141 -0.975 . . . . 0.47 109.879 -179.841 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.46 ' NH1' ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -74.57 129.28 37.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.436 -0.79 . . . . 2.1 109.136 179.614 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.452 ' HA2' ' NH2' ' A' ' 333' ' ' ARG . . . 116.72 129.86 4.39 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.583 -1.407 . . . . 0.42 109.583 -179.966 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -76.82 -57.58 3.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -1.172 . . . . 2.68 109.423 179.906 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.54 -44.36 89.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 2.22 109.323 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -44.07 95.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.325 -0.859 . . . . 2.77 109.405 179.996 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 62.7 t80 -55.62 -53.23 59.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.43 109.749 -179.873 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.44 -37.21 36.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 1.66 110.035 -179.628 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.71 81.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.514 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.02 -53.54 55.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.29 109.283 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.91 -35.57 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.854 . . . . 2.44 109.546 179.763 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.14 -51.14 70.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.74 109.952 -179.644 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.3 109.019 -179.975 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.14 -53.65 55.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.468 -0.77 . . . . 1.22 109.448 179.586 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.99 -31.79 73.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.72 110.023 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.76 -54.14 48.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.27 110.006 -179.704 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.07 -41.27 96.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.29 109.567 -179.745 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.42 -34.99 74.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.91 109.447 179.868 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.01 -46.66 80.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.349 -0.844 . . . . 0.41 109.521 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.2 -40.97 95.94 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.911 -0.774 . . . . 1.56 108.911 179.813 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -31.13 67.22 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.613 -0.679 . . . . 1.43 109.574 179.661 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.77 81.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.66 109.616 -179.673 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 1.18 109.419 179.914 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 27.8 mt-10 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.219 -0.66 . . . . 1.61 109.219 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -95.63 146.3 24.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.164 -0.96 . . . . 0.57 109.713 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -137.64 -173.29 3.45 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.213 -0.929 . . . . 0.53 109.408 179.876 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -152.51 164.71 37.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.132 -0.98 . . . . 0.38 109.305 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.15 132.05 17.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.23 -0.919 . . . . 0.36 109.635 -179.639 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.54 127.76 34.54 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 1.36 109.083 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.9 mt -123.47 109.5 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.13 -0.982 . . . . 0.49 109.889 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.472 ' CG ' HH11 ' B' ' 333' ' ' ARG . 0.0 OUTLIER -74.51 129.18 37.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.354 -0.841 . . . . 2.1 109.12 179.596 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' HA2' ' NH2' ' B' ' 333' ' ' ARG . . . 116.69 129.98 4.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.555 -1.418 . . . . 0.44 109.555 179.934 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -76.88 -57.56 3.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -1.137 . . . . 2.72 109.36 179.996 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.57 -44.29 89.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 2.21 109.355 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -44.0 96.24 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.268 -0.895 . . . . 2.79 109.465 179.931 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' O ' ' D' ' 329' ' ' THR . 62.1 t80 -55.77 -53.11 60.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.333 -0.854 . . . . 0.45 109.71 -179.859 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.57 -37.21 38.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 1.68 109.894 -179.548 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.67 82.08 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.027 -1.046 . . . . 0.43 110.097 -179.487 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.03 -53.55 55.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.15 -0.968 . . . . 0.28 109.306 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.96 -35.51 33.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.842 . . . . 2.52 109.521 179.773 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.14 -51.12 70.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 1.75 110.005 -179.685 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.77 -34.98 75.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.927 . . . . 0.31 109.073 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.2 -53.63 56.12 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.793 . . . . 1.21 109.485 179.643 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.93 -31.84 73.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.499 -0.75 . . . . 1.69 110.013 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.73 -54.18 48.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.27 109.938 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.04 -41.36 96.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.251 -0.906 . . . . 0.3 109.509 -179.662 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.22 -35.07 74.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 1.93 109.463 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.07 -46.57 80.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.379 -0.825 . . . . 0.4 109.505 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -61.23 -41.02 96.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.832 . . . . 1.59 108.878 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -31.06 66.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.613 -0.679 . . . . 1.43 109.668 179.642 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -45.7 81.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.65 109.557 -179.679 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 1.19 109.429 179.916 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.402 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 27.8 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.208 -0.664 . . . . 2.11 109.208 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -95.65 146.42 24.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.965 . . . . 0.64 109.586 -179.909 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -137.73 -173.22 3.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.248 -0.907 . . . . 0.49 109.332 179.885 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.0 p -152.52 164.72 37.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.47 109.218 -179.872 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.21 131.99 16.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.939 . . . . 0.42 109.672 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.55 127.81 34.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.327 -0.858 . . . . 1.81 109.1 179.771 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.439 HD12 ' CD1' ' C' ' 338' ' ' PHE . 40.9 mt -123.56 109.53 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.42 109.855 -179.804 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.473 ' CG ' HH11 ' C' ' 333' ' ' ARG . 0.0 OUTLIER -74.51 129.25 37.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 2.35 109.209 179.633 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' C' ' 333' ' ' ARG . . . 116.72 129.88 4.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.668 -1.373 . . . . 0.41 109.668 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -76.95 -57.47 3.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -1.142 . . . . 2.59 109.386 -179.988 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.53 -44.4 89.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 2.54 109.314 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.12 95.95 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.36 -0.838 . . . . 3.39 109.321 -179.937 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 329' ' ' THR . 62.1 t80 -55.66 -53.23 59.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.391 -0.818 . . . . 0.47 109.719 -179.783 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.34 -37.31 36.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.66 110.024 -179.675 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.08 -47.55 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.029 -1.044 . . . . 0.61 110.082 -179.43 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.15 -53.54 55.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.33 109.197 -179.839 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.97 -35.53 34.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.334 -0.854 . . . . 3.28 109.502 179.792 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.16 -51.15 70.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.158 -0.964 . . . . 1.78 109.868 -179.645 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.88 -34.95 75.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.287 -0.883 . . . . 0.38 109.068 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.07 -53.67 55.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.394 -0.816 . . . . 1.2 109.47 179.508 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.95 -31.84 73.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -0.839 . . . . 2.12 109.982 -179.677 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -54.11 49.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.26 110.024 -179.641 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.1 -41.31 96.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.4 109.538 -179.725 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.17 -35.15 74.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 2.09 109.538 179.775 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.06 -46.66 80.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.75 109.484 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.17 -40.87 95.52 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.439 -0.788 . . . . 2.19 108.998 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -31.09 67.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.602 -0.686 . . . . 1.34 109.603 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.84 81.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 0.72 109.563 -179.655 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.8 109.419 179.975 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.409 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 27.9 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.281 -0.637 . . . . 1.67 109.281 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -95.4 146.25 24.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -0.976 . . . . 0.61 109.757 -179.963 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -137.6 -173.21 3.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.56 109.38 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.512 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.0 p -152.56 164.67 37.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.198 -0.938 . . . . 0.43 109.294 -179.902 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.21 132.05 17.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.35 109.581 -179.664 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.55 127.75 34.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.37 109.079 179.797 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' D' ' 338' ' ' PHE . 40.5 mt -123.51 109.46 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.214 -0.929 . . . . 0.48 109.814 -179.736 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.467 HH11 ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -74.49 129.23 37.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.08 109.158 179.592 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' D' ' 333' ' ' ARG . . . 116.7 129.9 4.4 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 -179.975 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -76.87 -57.61 3.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -1.15 . . . . 2.64 109.397 -179.971 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.5 -44.45 89.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 2.22 109.275 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.04 95.93 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.403 -0.811 . . . . 2.74 109.451 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' B' ' 329' ' ' THR . 62.3 t80 -55.65 -53.21 59.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.376 -0.828 . . . . 0.43 109.697 -179.88 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.47 -37.26 37.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 1.69 109.997 -179.615 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -62.94 -47.73 81.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.175 -0.953 . . . . 0.43 110.108 -179.523 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.04 -53.54 55.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.224 -0.922 . . . . 0.27 109.258 -179.853 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.89 -35.62 33.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 2.45 109.558 179.707 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.09 -51.14 70.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 1.75 109.906 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' D' ' 344' ' ' LEU . 82.7 mt -60.87 -35.01 75.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.131 -0.98 . . . . 0.31 108.992 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.08 -53.64 56.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.817 . . . . 1.22 109.529 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.92 -31.9 73.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.451 -0.781 . . . . 1.73 109.996 -179.763 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -54.22 47.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.28 109.949 -179.605 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.99 -41.3 96.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.907 . . . . 0.31 109.594 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.24 -35.03 74.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.328 -0.858 . . . . 1.91 109.525 179.779 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.12 -46.63 80.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.288 -0.883 . . . . 0.43 109.434 -179.87 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.16 -41.0 95.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.327 -0.858 . . . . 1.57 108.915 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -31.09 67.27 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.687 -0.633 . . . . 1.44 109.576 179.7 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.91 81.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.64 109.587 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.21 109.396 -179.998 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.454 -0.573 . . . . 1.7 109.454 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.1 156.85 16.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.61 109.374 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.1 m-85 -139.0 -169.77 2.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.58 109.514 -179.934 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.8 p -153.94 157.02 38.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.173 -0.954 . . . . 0.42 109.403 -179.778 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.16 134.09 18.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.36 109.409 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -86.38 132.28 34.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.37 109.583 -179.978 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 341' ' ' PHE . 33.8 mt -123.82 117.37 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.47 109.46 179.728 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.4 147.46 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.893 . . . . 2.1 109.673 179.984 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.32 138.81 8.05 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.814 -1.314 . . . . 0.42 109.814 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.0 ttt180 -81.36 -52.45 7.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -1.095 . . . . 2.68 109.482 179.903 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.62 85.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 2.22 109.482 179.908 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.323 -0.861 . . . . 2.77 109.478 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 332' ' ' ILE . 46.2 t80 -55.02 -56.46 19.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.887 . . . . 0.43 109.495 179.94 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.51 -33.43 31.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.66 109.713 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.439 ' CG ' ' SD ' ' D' ' 340' ' ' MET . 10.2 ttp -63.3 -50.84 68.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.184 -0.947 . . . . 0.44 110.036 -179.614 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.2 m-85 -60.87 -53.99 50.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.29 109.225 -179.853 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.93 -34.69 29.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 2.44 109.616 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.24 -51.37 69.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.181 -0.949 . . . . 1.74 109.741 -179.799 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 70.9 mt -60.88 -34.06 74.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.2 -0.938 . . . . 0.3 109.057 179.933 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.46 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.3 t-20 -59.5 -52.99 63.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.405 -0.809 . . . . 1.22 109.702 179.718 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.67 -34.44 77.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 1.72 110.027 -179.579 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -51.76 68.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.27 110.073 -179.471 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.23 -42.13 98.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.865 . . . . 0.29 109.755 -179.577 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.48 78.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.91 109.731 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.491 HD21 ' NE2' ' B' ' 354' ' ' GLN . 16.3 tp -64.55 -42.7 95.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.885 . . . . 0.41 109.694 -179.794 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.17 -42.88 99.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.35 -0.844 . . . . 1.56 109.242 -179.944 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.36 -40.08 73.95 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.485 -0.759 . . . . 1.43 109.83 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.39 81.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.66 109.667 -179.701 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 1.6 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.276 -0.89 . . . . 1.18 109.762 -179.869 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 1.61 109.386 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 12.6 m-85 -93.08 156.83 16.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.57 109.389 179.884 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 68.6 m-85 -138.96 -169.69 2.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.53 109.565 -179.956 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.494 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 68.2 p -154.09 156.85 38.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.175 -0.953 . . . . 0.38 109.593 -179.836 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.08 134.12 18.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.36 109.427 -179.746 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -86.49 132.4 33.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 1.36 109.465 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.587 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.8 mt -123.92 117.44 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.49 109.384 179.787 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.57 147.45 43.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 2.1 109.624 -179.953 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.35 138.87 8.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.858 -1.297 . . . . 0.44 109.858 179.769 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 37.9 ttt180 -81.51 -52.41 7.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -1.119 . . . . 2.72 109.44 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -46.69 85.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.354 -0.841 . . . . 2.21 109.425 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 3.1 ttm180 -60.46 -40.99 93.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 2.79 109.439 -179.969 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 332' ' ' ILE . 46.3 t80 -54.94 -56.48 19.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.323 -0.861 . . . . 0.45 109.489 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.58 -33.34 32.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.33 -0.856 . . . . 1.68 109.671 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -63.34 -50.78 68.64 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.249 -0.907 . . . . 0.43 110.001 -179.569 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.2 m-85 -60.91 -53.97 50.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.214 -0.929 . . . . 0.28 109.237 -179.805 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.92 -34.75 29.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.384 -0.822 . . . . 2.52 109.595 179.862 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.3 -51.29 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 1.75 109.702 -179.725 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 71.5 mt -60.93 -34.02 74.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.198 -0.939 . . . . 0.31 109.046 179.872 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.511 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.3 t-20 -59.44 -53.22 60.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.391 -0.818 . . . . 1.21 109.633 179.663 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.64 -34.39 76.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 1.69 110.031 -179.444 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -51.75 68.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 0.27 110.095 -179.557 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.22 -42.08 97.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.3 109.772 -179.607 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.44 78.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.289 -0.882 . . . . 1.93 109.738 -179.91 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.439 HD21 ' NE2' ' A' ' 354' ' ' GLN . 16.3 tp -64.55 -42.77 95.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 0.4 109.634 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.9 ttmt -62.08 -42.97 99.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.387 -0.821 . . . . 1.59 109.274 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.4 -39.97 73.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.561 -0.712 . . . . 1.43 109.881 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.37 81.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.65 109.659 -179.775 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.491 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.6 mt-30 . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.917 . . . . 1.19 109.796 -179.834 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.391 -0.596 . . . . 2.11 109.391 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 12.7 m-85 -93.06 156.93 16.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.64 109.394 179.886 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.8 m-85 -139.04 -169.81 2.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.231 -0.918 . . . . 0.49 109.565 -179.91 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.3 p -153.99 157.02 38.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.47 109.442 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.12 133.97 17.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.929 . . . . 0.42 109.351 -179.665 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -86.34 132.37 33.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.321 -0.862 . . . . 1.81 109.584 179.951 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.5 mt -123.87 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.42 109.351 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.61 147.52 43.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 2.35 109.58 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.42 138.84 8.11 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.816 -1.314 . . . . 0.41 109.816 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.0 ttt180 -81.46 -52.41 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.357 -1.084 . . . . 2.59 109.463 179.813 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -46.65 85.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -0.845 . . . . 2.54 109.444 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.64 -40.91 93.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -0.908 . . . . 3.39 109.451 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CD1' HD12 ' C' ' 332' ' ' ILE . 46.0 t80 -55.01 -56.37 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 0.47 109.46 -179.97 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -51.62 -33.42 33.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.922 . . . . 1.66 109.569 -179.902 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.35 -50.78 68.61 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.277 -0.889 . . . . 0.61 110.051 -179.554 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.586 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.3 m-85 -60.93 -53.91 51.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.284 -0.885 . . . . 0.33 109.253 -179.896 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -51.06 -34.68 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.403 -0.811 . . . . 3.28 109.61 179.957 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.21 -51.32 70.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.197 -0.94 . . . . 1.78 109.731 -179.758 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' D' ' 344' ' ' LEU . 70.8 mt -60.85 -34.06 74.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.241 -0.912 . . . . 0.38 109.13 179.818 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.43 -53.12 61.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 1.2 109.682 179.692 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.74 -34.3 76.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.405 -0.81 . . . . 2.12 110.006 -179.498 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.14 -51.8 68.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 0.26 110.014 -179.524 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.18 -42.16 98.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.4 109.76 -179.552 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.49 78.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 2.09 109.75 -179.972 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.546 HD21 ' NE2' ' D' ' 354' ' ' GLN . 16.3 tp -64.54 -42.77 95.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.75 109.702 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 12.9 ttmt -61.99 -43.06 99.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 2.19 109.27 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.38 -39.96 73.79 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.633 -0.667 . . . . 1.34 109.857 -179.979 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.44 81.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.72 109.711 -179.769 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.541 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.8 109.754 -179.855 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.411 -0.589 . . . . 1.67 109.411 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.7 m-85 -93.07 156.92 16.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.61 109.338 179.972 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.6 m-85 -139.09 -169.85 2.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.25 -0.907 . . . . 0.56 109.574 -179.939 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 67.8 p -153.93 157.02 38.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.43 109.484 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.08 134.13 18.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.35 109.379 -179.729 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.1 tt0 -86.56 132.36 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.243 -0.911 . . . . 1.37 109.53 -179.953 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.0 mt -123.85 117.43 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.48 109.399 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.54 147.39 44.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 2.08 109.581 -179.946 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.36 138.72 8.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.72 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.0 ttt180 -81.37 -52.34 7.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -1.102 . . . . 2.64 109.461 179.945 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.36 -46.57 86.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.351 -0.843 . . . . 2.22 109.519 179.932 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.66 -40.85 93.58 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.277 -0.889 . . . . 2.74 109.431 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CD1' HD12 ' D' ' 332' ' ' ILE . 46.3 t80 -54.97 -56.48 19.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.352 -0.842 . . . . 0.43 109.454 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.65 -33.23 32.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.447 -0.783 . . . . 1.69 109.63 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.439 ' SD ' ' CG ' ' A' ' 340' ' ' MET . 10.1 ttp -63.3 -50.92 68.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.281 -0.887 . . . . 0.43 110.042 -179.619 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -60.86 -53.82 52.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.27 109.391 -179.871 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -51.05 -34.79 31.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 2.45 109.6 179.817 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.1 -51.46 69.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.139 -0.976 . . . . 1.75 109.814 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' C' ' 344' ' ' LEU . 70.4 mt -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.205 -0.934 . . . . 0.31 109.099 179.829 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.4 t-20 -59.46 -53.16 61.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.379 -0.826 . . . . 1.22 109.656 179.774 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.63 -34.38 76.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.73 110.049 -179.532 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.1 -51.81 68.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.201 -0.937 . . . . 0.28 110.026 -179.54 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 41.4 mt -61.2 -42.06 97.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.31 109.764 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.52 78.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 1.91 109.721 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.541 HD21 ' NE2' ' C' ' 354' ' ' GLN . 16.3 tp -64.55 -42.86 95.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.899 . . . . 0.43 109.604 -179.804 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 12.9 ttmt -61.98 -42.96 99.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.844 . . . . 1.57 109.316 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.32 -40.04 73.75 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.493 -0.755 . . . . 1.44 109.919 179.895 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.46 81.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.913 . . . . 0.64 109.716 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.546 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 1.21 109.796 -179.823 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.469 -0.567 . . . . 1.7 109.469 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.62 155.13 17.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.158 -0.964 . . . . 0.61 109.698 -179.913 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -140.2 -176.84 4.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.58 109.29 179.805 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.491 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.4 p -152.44 156.25 39.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.171 -0.955 . . . . 0.42 109.531 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' C' ' 345' ' ' ASN . 15.0 tp -147.45 130.99 16.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.36 109.517 -179.759 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.3 tt0 -86.43 131.41 34.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.298 -0.876 . . . . 1.37 109.508 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.658 HD12 ' CD1' ' A' ' 338' ' ' PHE . 31.9 mt -123.86 118.94 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.47 109.592 179.849 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.487 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.32 43.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 2.1 109.48 -179.993 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.78 131.12 3.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.739 -1.344 . . . . 0.42 109.739 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.5 ttt180 -76.85 -51.7 10.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -1.17 . . . . 2.68 109.589 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 16.9 pt-20 -58.7 -41.76 87.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 2.22 109.444 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.836 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.4 tpp180 -63.13 -43.86 97.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.2 -0.938 . . . . 2.77 109.141 179.69 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.0 t80 -55.27 -46.82 76.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.432 -0.793 . . . . 0.43 109.599 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.98 -39.52 59.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.889 . . . . 1.66 109.963 -179.617 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.57 -46.1 89.87 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.207 -0.933 . . . . 0.44 110.162 -179.259 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.454 ' HD2' HG21 ' A' ' 332' ' ' ILE . 20.5 m-85 -61.24 -49.82 75.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.111 -0.993 . . . . 0.29 109.419 -179.657 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -51.5 -43.02 62.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.309 -0.87 . . . . 2.44 109.718 179.858 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.97 -41.58 92.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.178 -0.951 . . . . 1.74 109.898 -179.631 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' B' ' 344' ' ' LEU . 35.0 mt -62.47 -46.36 88.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.3 109.635 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.478 ' HB2' HD21 ' C' ' 330' ' ' LEU . 50.5 t30 -58.33 -43.64 88.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.22 109.777 179.964 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.86 -39.5 92.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 1.72 109.717 -179.758 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.16 -45.66 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.317 -0.865 . . . . 0.27 109.728 -179.837 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.898 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.6 mt -62.2 -44.19 97.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 0.29 109.685 -179.834 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.77 -37.7 76.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.317 -0.865 . . . . 1.91 109.446 -179.894 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.783 HD11 ' OE1' ' B' ' 354' ' ' GLN . 12.7 tp -63.49 -40.49 97.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.41 109.342 -179.956 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.482 ' HA ' HD22 ' B' ' 350' ' ' LEU . 8.7 ttmm -62.53 -51.19 68.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.394 -0.816 . . . . 1.56 109.089 179.845 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.29 -30.15 64.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.564 -0.71 . . . . 1.43 109.755 179.839 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.61 80.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.888 . . . . 0.66 109.976 -179.51 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.736 ' OE1' HD11 ' B' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 1.18 109.624 -179.694 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.402 -0.592 . . . . 1.61 109.402 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.44 155.11 17.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.57 109.785 179.957 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.84 4.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.53 109.323 179.775 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.0 p -152.41 156.18 39.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.099 -1.001 . . . . 0.38 109.6 -179.671 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.9 tp -147.37 130.86 16.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.36 109.592 -179.73 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.3 tt0 -86.44 131.35 34.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.36 109.522 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.646 HD12 ' CD1' ' B' ' 338' ' ' PHE . 32.8 mt -123.84 118.99 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.49 109.507 179.898 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.9 OUTLIER -73.48 148.35 43.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.282 -0.886 . . . . 2.1 109.555 179.909 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 131.33 3.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.728 -1.349 . . . . 0.44 109.728 179.816 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 61.6 ttt180 -77.05 -51.61 10.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -1.132 . . . . 2.72 109.637 179.929 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 16.9 pt-20 -58.64 -41.76 86.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 2.21 109.49 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.83 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.4 tpp180 -63.15 -43.92 96.98 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.242 -0.911 . . . . 2.79 109.105 179.699 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.646 ' CD1' HD12 ' B' ' 332' ' ' ILE . 75.9 t80 -55.23 -46.97 75.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.468 -0.77 . . . . 0.45 109.547 179.938 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.91 -39.55 59.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 1.68 110.028 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.55 -46.06 90.09 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.078 -1.014 . . . . 0.43 110.259 -179.299 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.453 ' HD2' HG21 ' B' ' 332' ' ' ILE . 20.2 m-85 -61.09 -49.98 75.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.043 -1.035 . . . . 0.28 109.404 -179.767 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.43 -43.09 61.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.384 -0.823 . . . . 2.52 109.683 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.91 -41.58 92.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.955 . . . . 1.75 109.955 -179.646 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 344' ' ' LEU . 35.2 mt -62.35 -46.53 88.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.31 109.657 -179.882 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 50.6 t30 -58.22 -43.86 87.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 1.21 109.694 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.65 -39.56 91.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.69 109.792 -179.711 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.2 -45.54 90.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.37 -0.831 . . . . 0.27 109.733 -179.785 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.842 HD22 ' NH1' ' D' ' 337' ' ' ARG . 54.2 mt -62.32 -44.18 97.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.255 -0.903 . . . . 0.3 109.599 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.76 -37.67 76.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.93 109.535 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.736 HD11 ' OE1' ' A' ' 354' ' ' GLN . 12.6 tp -63.52 -40.41 96.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.379 -0.826 . . . . 0.4 109.434 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' A' ' 350' ' ' LEU . 8.8 ttmm -62.51 -51.27 68.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 1.59 109.141 179.741 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.19 64.35 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.567 -0.708 . . . . 1.43 109.71 179.844 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.57 80.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.65 109.994 -179.481 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.783 ' OE1' HD11 ' A' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.19 109.765 -179.786 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.483 -0.562 . . . . 2.11 109.483 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -94.56 155.21 17.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.913 . . . . 0.64 109.671 -179.957 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.86 4.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.49 109.289 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 62.9 p -152.47 156.23 39.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.12 -0.988 . . . . 0.47 109.592 -179.753 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.9 tp -147.39 131.0 16.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.311 -0.868 . . . . 0.42 109.553 -179.731 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 42.4 tt0 -86.5 131.37 34.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.81 109.499 179.985 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' C' ' 338' ' ' PHE . 32.0 mt -123.76 119.08 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 0.42 109.534 179.78 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.481 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.33 43.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.35 109.499 179.822 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.68 131.46 3.94 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.671 -1.371 . . . . 0.41 109.671 179.765 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 61.6 ttt180 -77.08 -51.7 10.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.289 -1.124 . . . . 2.59 109.643 179.97 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 16.9 pt-20 -58.63 -41.69 86.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.929 . . . . 2.54 109.513 179.948 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.898 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.4 tpp180 -63.2 -43.86 96.96 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.317 -0.865 . . . . 3.39 109.13 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.9 t80 -55.38 -46.74 76.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.432 -0.792 . . . . 0.47 109.574 179.933 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.01 -39.5 59.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.835 . . . . 1.66 110.036 -179.687 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.62 -46.02 90.19 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.134 -0.979 . . . . 0.61 110.249 -179.321 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.455 ' CD2' HD13 ' C' ' 332' ' ' ILE . 20.3 m-85 -61.19 -49.91 75.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.33 109.441 -179.793 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.49 -43.03 62.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 3.28 109.698 179.897 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.85 -41.69 91.99 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -0.946 . . . . 1.78 109.861 -179.705 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' D' ' 344' ' ' LEU . 35.2 mt -62.47 -46.37 88.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.929 . . . . 0.38 109.643 -179.736 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' A' ' 330' ' ' LEU . 50.8 t30 -58.38 -43.77 88.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 1.2 109.737 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.64 -39.56 91.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 2.12 109.751 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.15 -45.74 90.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.865 . . . . 0.26 109.668 -179.803 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.1 mt -62.15 -44.16 97.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.4 109.674 -179.805 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.9 -37.55 76.88 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 2.09 109.552 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.712 HD11 ' OE1' ' D' ' 354' ' ' GLN . 12.7 tp -63.55 -40.39 96.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.75 109.39 179.961 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.62 -51.17 68.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.456 -0.777 . . . . 2.19 109.089 179.799 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.21 64.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.5 -0.75 . . . . 1.34 109.746 179.767 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.59 80.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.384 -0.823 . . . . 0.72 109.956 -179.399 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' D' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.117 -0.989 . . . . 1.8 109.677 -179.715 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.4 -0.592 . . . . 1.67 109.4 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -94.54 155.19 17.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.117 -0.99 . . . . 0.61 109.699 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.6 m-85 -140.36 -176.9 4.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.56 109.295 179.842 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.0 p -152.35 156.28 39.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 0.43 109.571 -179.717 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.9 tp -147.37 130.97 16.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.35 109.524 -179.733 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 42.4 tt0 -86.53 131.38 34.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.37 109.463 179.997 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' D' ' 338' ' ' PHE . 32.4 mt -123.84 119.02 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.48 109.461 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.9 OUTLIER -73.52 148.38 43.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 2.08 109.575 179.815 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.7 131.55 3.98 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 61.8 ttt180 -77.19 -51.75 10.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.348 -1.089 . . . . 2.64 109.603 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 16.9 pt-20 -58.62 -41.79 86.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 2.22 109.457 179.972 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.842 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.4 tpp180 -63.19 -43.83 97.08 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 2.74 109.136 179.747 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.1 t80 -55.24 -46.87 76.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.43 109.626 179.882 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.9 -39.61 59.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.368 -0.833 . . . . 1.69 110.06 -179.722 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.43 110.313 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CD2' HD13 ' D' ' 332' ' ' ILE . 20.3 m-85 -61.18 -49.88 75.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.27 109.362 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.53 -43.05 62.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.356 -0.84 . . . . 2.45 109.702 179.95 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.9 -41.66 92.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 1.75 109.882 -179.662 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' C' ' 344' ' ' LEU . 35.1 mt -62.27 -46.59 88.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.31 109.63 -179.839 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 50.6 t30 -58.34 -43.7 88.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.852 . . . . 1.22 109.715 -179.87 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.77 -39.47 91.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 1.73 109.738 -179.765 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.2 -45.51 90.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 0.28 109.775 -179.835 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.83 HD22 ' NH1' ' B' ' 337' ' ' ARG . 54.3 mt -62.37 -44.15 97.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.31 109.627 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.84 -37.65 76.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.91 109.468 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' C' ' 354' ' ' GLN . 12.6 tp -63.51 -40.31 96.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.43 109.443 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.62 -51.2 68.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 1.57 109.095 179.769 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.25 -30.12 64.38 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.625 -0.672 . . . . 1.44 109.814 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.49 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.64 109.945 -179.454 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.712 ' OE1' HD11 ' C' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.091 -1.006 . . . . 1.21 109.628 -179.733 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.516 -0.55 . . . . 1.7 109.516 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.78 155.37 16.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.974 . . . . 0.61 109.673 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.2 m-85 -139.68 -169.36 2.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.58 109.325 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' C' ' 338' ' ' PHE . 11.9 p -153.34 162.94 40.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.42 109.693 -179.777 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.2 tp -149.39 133.56 17.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.294 -0.879 . . . . 0.36 109.479 -179.782 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.71 34.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.306 -0.871 . . . . 1.37 109.198 179.746 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.89 114.36 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.914 . . . . 0.47 109.613 -179.787 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.53 150.8 41.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 2.1 109.295 179.789 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.02 130.01 4.53 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.692 -1.363 . . . . 0.42 109.692 179.751 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.5 OUTLIER -78.12 -52.78 8.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -1.089 . . . . 2.68 109.526 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.19 -48.29 80.78 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 2.22 109.426 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.85 -40.21 92.0 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.362 -0.836 . . . . 2.77 109.314 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.466 ' CZ ' ' O ' ' C' ' 329' ' ' THR . 35.7 t80 -54.97 -55.36 31.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.47 -0.769 . . . . 0.43 109.554 -179.933 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.21 39.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.317 -0.864 . . . . 1.66 109.946 -179.885 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.42 -47.8 82.5 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.068 -1.02 . . . . 0.44 109.772 -179.648 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.42 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 20.3 m-85 -61.48 -47.29 86.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.918 . . . . 0.29 108.998 179.867 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -51.9 -39.95 59.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 2.44 109.684 179.823 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.8 -49.56 77.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.237 -0.915 . . . . 1.74 109.718 -179.64 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.86 -33.36 72.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.104 -0.998 . . . . 0.3 108.951 179.691 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.48 -55.21 37.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 1.22 109.434 179.64 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.72 -29.09 70.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.789 . . . . 1.72 109.792 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.32 -56.84 16.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.917 . . . . 0.27 109.806 -179.661 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.421 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 22.2 mt -60.79 -38.14 84.31 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.302 -0.874 . . . . 0.29 109.434 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.05 -37.23 76.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.91 109.402 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.721 HD11 HE21 ' B' ' 354' ' ' GLN . 11.9 tp -64.48 -40.56 95.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 0.41 109.309 179.941 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -49.38 76.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.426 -0.796 . . . . 1.56 108.907 179.77 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.68 -29.8 62.74 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.619 -0.676 . . . . 1.43 109.462 179.584 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.41 83.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.865 . . . . 0.66 109.734 -179.687 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.709 HE21 HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.18 109.431 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.478 -0.564 . . . . 1.61 109.478 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.79 155.45 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.57 109.682 179.982 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.4 m-85 -139.75 -169.38 2.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.327 -0.858 . . . . 0.53 109.286 179.864 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CZ ' ' D' ' 338' ' ' PHE . 12.0 p -153.28 163.05 40.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.38 109.648 -179.745 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.54 133.47 17.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.919 . . . . 0.36 109.498 -179.896 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.66 127.74 34.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 1.36 109.16 179.846 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 114.39 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -0.969 . . . . 0.49 109.718 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.43 150.74 41.48 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 2.1 109.423 179.719 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.13 129.93 4.55 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.777 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.578 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -78.08 -52.79 8.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -1.054 . . . . 2.72 109.46 179.949 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.16 -48.46 80.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 2.21 109.388 179.912 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -60.72 -40.23 91.57 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.262 -0.899 . . . . 2.79 109.359 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' D' ' 329' ' ' THR . 35.4 t80 -54.88 -55.42 30.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 0.45 109.581 -179.972 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -51.84 -34.2 39.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 1.68 109.842 -179.864 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.41 -47.82 82.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.16 -0.962 . . . . 0.43 109.737 -179.587 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 20.4 m-85 -61.48 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.28 109.152 179.832 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -52.07 -39.89 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 2.52 109.687 179.812 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.67 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -0.916 . . . . 1.75 109.696 -179.725 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.75 -33.49 73.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.022 . . . . 0.31 108.974 179.769 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.31 -55.33 36.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.483 -0.761 . . . . 1.21 109.425 179.643 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.17 70.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.358 -0.839 . . . . 1.69 109.8 -179.854 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.21 -56.83 16.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.27 109.888 -179.724 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 22.2 mt -60.81 -38.1 84.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.853 . . . . 0.3 109.342 -179.827 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.09 -37.28 76.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 1.93 109.36 179.817 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.709 HD11 HE21 ' A' ' 354' ' ' GLN . 11.9 tp -64.49 -40.5 95.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 0.4 109.351 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.45 76.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.79 . . . . 1.59 108.935 179.708 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.63 -29.79 62.58 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.592 -0.692 . . . . 1.43 109.49 179.544 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.5 83.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.65 109.621 -179.634 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.721 HE21 HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.492 0 O-C-N 121.12 -0.988 . . . . 1.19 109.475 179.937 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.362 0.601 . . . . 2.11 109.516 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -94.91 155.42 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.077 -1.015 . . . . 0.64 109.737 179.93 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -139.64 -169.33 2.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.322 -0.861 . . . . 0.49 109.392 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.466 ' O ' ' CZ ' ' A' ' 338' ' ' PHE . 11.7 p -153.35 163.3 40.17 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.47 109.599 -179.893 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.67 133.51 16.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.42 109.447 -179.811 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.7 34.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.81 109.179 179.841 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.78 114.44 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.42 109.707 -179.877 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 150.83 41.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.35 109.384 179.754 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.97 129.31 4.28 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.807 -1.317 . . . . 0.41 109.807 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -77.25 -52.94 8.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -1.118 . . . . 2.59 109.632 179.911 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.18 -48.42 80.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 2.54 109.41 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.76 -40.08 91.17 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.297 -0.877 . . . . 3.39 109.418 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -54.9 -55.5 29.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -0.825 . . . . 0.47 109.523 179.979 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -51.77 -34.28 38.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.326 -0.859 . . . . 1.66 109.922 -179.848 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.33 -47.9 82.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.61 109.683 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -61.52 -47.17 86.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.33 109.063 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -51.96 -39.89 60.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.503 -0.748 . . . . 3.28 109.779 179.768 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.68 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 1.78 109.657 -179.672 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.89 -33.39 73.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.38 108.888 179.859 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.32 -55.38 35.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 1.2 109.396 179.665 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.08 70.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 2.12 109.772 -179.824 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.24 -56.9 15.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 0.26 109.869 -179.74 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.42 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 22.2 mt -60.78 -38.07 84.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.4 109.378 -179.843 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.18 -37.18 76.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.292 -0.88 . . . . 2.09 109.398 179.821 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.722 HD11 HE21 ' D' ' 354' ' ' GLN . 11.9 tp -64.42 -40.56 95.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.75 109.355 179.878 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -49.5 76.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.3 -0.875 . . . . 2.19 108.94 179.723 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.55 -29.86 62.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.567 -0.708 . . . . 1.34 109.523 179.537 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.45 83.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.328 -0.857 . . . . 0.72 109.662 -179.627 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.736 HE21 HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.108 -0.995 . . . . 1.8 109.362 179.973 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.437 -0.579 . . . . 1.67 109.437 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -95.0 155.49 16.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.61 109.664 179.938 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.8 m-85 -139.77 -169.39 2.7 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.368 -0.832 . . . . 0.56 109.248 -179.976 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' B' ' 338' ' ' PHE . 11.9 p -153.34 162.91 40.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.43 109.664 -179.717 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.41 133.63 17.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.35 109.429 -179.804 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.8 127.84 34.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 1.37 109.132 179.807 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.92 114.28 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.48 109.666 -179.828 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.46 150.68 41.47 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 2.08 109.395 179.739 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.11 129.71 4.47 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.773 -1.331 . . . . 0.4 109.773 179.782 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.58 ' CZ ' ' CB ' ' D' ' 335' ' ' ARG . 0.5 OUTLIER -77.69 -52.88 8.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -1.044 . . . . 2.64 109.537 179.887 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.34 -48.09 81.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 2.22 109.429 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.0 -40.04 92.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.353 -0.842 . . . . 2.74 109.365 179.959 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CZ ' ' O ' ' B' ' 329' ' ' THR . 35.8 t80 -54.99 -55.39 31.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.43 109.565 179.978 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.29 39.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.69 109.889 -179.88 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.4 -47.74 82.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.16 -0.963 . . . . 0.43 109.751 -179.598 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.437 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 20.1 m-85 -61.5 -47.27 86.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.27 109.026 179.908 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -51.98 -40.0 60.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.417 -0.802 . . . . 2.45 109.581 179.881 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.65 -49.59 76.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -0.852 . . . . 1.75 109.776 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.86 -33.4 73.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.167 -0.958 . . . . 0.31 108.926 179.771 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.33 -55.31 36.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.392 -0.818 . . . . 1.22 109.501 179.571 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.7 -29.09 70.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.423 -0.798 . . . . 1.73 109.786 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.2 -56.89 16.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 0.28 109.854 -179.714 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.414 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 22.1 mt -60.89 -38.07 84.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.31 109.396 -179.783 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.11 -37.21 76.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 1.91 109.376 179.76 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.736 HD11 HE21 ' C' ' 354' ' ' GLN . 11.9 tp -64.5 -40.5 95.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.242 -0.911 . . . . 0.43 109.325 179.972 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.53 76.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 1.57 108.861 179.693 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.67 -29.82 62.74 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.656 -0.652 . . . . 1.44 109.472 179.643 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.57 83.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.41 -0.806 . . . . 0.64 109.63 -179.695 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.722 HE21 HD11 ' C' ' 350' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 1.21 109.443 -179.992 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.258 0.551 . . . . 1.7 109.535 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 50.7 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.297 -0.877 . . . . 0.61 109.396 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.7 m-85 -138.09 -168.31 2.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.58 109.55 -179.902 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.7 p -153.2 162.67 41.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.42 109.644 -179.794 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -150.08 133.07 16.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.287 -0.883 . . . . 0.36 109.362 -179.998 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.6 126.44 34.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.37 109.69 -179.803 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.0 mt -124.14 116.48 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.937 . . . . 0.47 109.333 179.709 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 2.1 ttt-85 -74.07 159.62 32.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 2.1 109.864 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.45 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 80.16 134.82 1.33 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.834 -1.306 . . . . 0.42 109.834 179.643 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 58.5 ttt180 -81.04 -49.02 11.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -1.101 . . . . 2.68 109.38 179.829 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.5 -51.09 71.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 2.22 109.441 179.936 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.07 85.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.351 -0.843 . . . . 2.77 109.299 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.3 t80 -55.3 -53.03 61.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.43 109.572 179.953 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.45 -34.45 35.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.821 . . . . 1.66 109.816 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.71 -50.51 70.85 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.211 -0.93 . . . . 0.44 109.898 -179.473 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -60.75 -54.65 42.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.29 109.241 -179.919 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.02 -34.41 29.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -0.797 . . . . 2.44 109.501 179.856 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.29 -49.07 79.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.159 -0.963 . . . . 1.74 109.474 -179.918 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.261 -0.899 . . . . 0.3 108.838 179.687 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' C' ' 330' ' ' LEU . 9.5 t-20 -59.21 -53.31 59.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 1.22 109.711 179.73 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.7 -32.9 74.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -0.852 . . . . 1.72 110.066 -179.506 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.56 -53.3 59.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 0.27 110.101 -179.643 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.89 -43.54 98.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.29 109.731 -179.511 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.46 -35.33 73.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 1.91 109.562 179.978 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.752 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -65.7 -40.85 92.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.298 -0.876 . . . . 0.41 109.429 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -62.19 -48.32 80.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.345 -0.847 . . . . 1.56 108.869 179.745 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.4 68.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.498 -0.751 . . . . 1.43 109.638 179.638 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.36 69.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.66 109.845 -179.74 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.506 ' NE2' HD11 ' B' ' 350' ' ' LEU . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.189 -0.944 . . . . 1.18 109.529 -179.865 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.285 0.564 . . . . 1.61 109.544 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' D' ' 333' ' ' ARG . 51.4 m-85 -94.49 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.894 . . . . 0.57 109.386 179.821 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.6 m-85 -138.13 -168.33 2.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.879 . . . . 0.53 109.504 -179.871 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 19.6 p -153.19 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.38 109.62 -179.786 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.7 tp -150.05 133.12 16.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.271 -0.893 . . . . 0.36 109.359 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.63 126.41 34.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.271 -0.893 . . . . 1.36 109.702 -179.833 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.7 mt -124.09 116.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.205 -0.934 . . . . 0.49 109.365 179.704 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.5 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 2.1 ttt-85 -74.04 159.59 32.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.177 -0.952 . . . . 2.1 109.87 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 80.21 134.8 1.34 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.871 -1.292 . . . . 0.44 109.871 179.664 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 58.5 ttt180 -81.03 -49.06 11.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -1.098 . . . . 2.72 109.348 179.82 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.56 -50.94 71.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.477 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.31 -39.04 85.57 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 2.79 109.281 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -55.35 -52.97 61.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.45 109.582 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.48 -34.46 35.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 1.68 109.795 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.68 -50.59 70.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.239 -0.913 . . . . 0.43 109.891 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -60.69 -54.66 42.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.28 109.241 -179.905 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.0 -34.43 29.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.414 -0.804 . . . . 2.52 109.514 179.84 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.3 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.75 109.472 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.16 -34.78 75.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.349 -0.845 . . . . 0.31 108.84 179.692 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' D' ' 330' ' ' LEU . 9.6 t-20 -59.28 -53.24 60.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.421 -0.8 . . . . 1.21 109.685 179.762 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.69 -33.04 74.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.801 . . . . 1.69 110.095 -179.557 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.5 -53.25 59.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.139 -0.976 . . . . 0.27 110.101 -179.627 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.83 -43.63 98.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.913 . . . . 0.3 109.703 -179.534 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.49 -35.23 73.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 1.93 109.572 -179.974 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.753 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.75 -40.97 92.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.4 109.343 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 34.6 ttmt -62.1 -48.27 80.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 1.59 108.923 179.764 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.47 68.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.534 -0.729 . . . . 1.43 109.615 179.628 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.35 69.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 0.65 109.867 -179.757 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.622 ' NE2' HD11 ' A' ' 350' ' ' LEU . 8.7 mt-30 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 1.19 109.473 -179.852 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.287 0.565 . . . . 2.11 109.549 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 51.1 m-85 -94.46 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.884 . . . . 0.64 109.338 179.834 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -138.09 -168.32 2.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.49 109.548 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 19.7 p -153.22 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.47 109.612 -179.788 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 345' ' ' ASN . 24.0 tp -150.1 133.01 16.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.42 109.38 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.5 126.39 34.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.902 . . . . 1.81 109.703 -179.826 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.0 mt -124.12 116.43 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.42 109.333 179.694 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.1 ttt-85 -74.0 159.64 32.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 2.35 109.862 -179.856 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 80.07 134.83 1.31 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.631 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 58.5 ttt180 -80.96 -49.1 11.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -1.1 . . . . 2.59 109.381 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.52 -51.02 71.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 2.54 109.488 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.11 85.51 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.315 -0.866 . . . . 3.39 109.299 -179.946 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' A' ' 329' ' ' THR . 42.1 t80 -55.29 -53.05 60.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.47 -0.769 . . . . 0.47 109.517 179.977 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -51.42 -34.54 35.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 1.66 109.815 -179.844 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.62 -50.52 70.92 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.245 -0.909 . . . . 0.61 109.981 -179.517 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.1 m-85 -60.74 -54.67 42.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.914 . . . . 0.33 109.223 -179.927 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.98 -34.37 28.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 3.28 109.507 179.835 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.35 -49.06 79.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 1.78 109.418 -179.86 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.14 -34.82 75.6 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.312 -0.868 . . . . 0.38 108.846 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' A' ' 330' ' ' LEU . 9.5 t-20 -59.23 -53.26 60.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.469 -0.769 . . . . 1.2 109.713 179.742 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.65 -33.24 74.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -0.811 . . . . 2.12 110.056 -179.544 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -53.31 59.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.142 -0.974 . . . . 0.26 110.12 -179.65 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.88 -43.52 98.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.4 109.731 -179.494 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -35.19 73.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 2.09 109.556 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.741 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.81 -40.86 92.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 0.75 109.381 -179.877 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 34.6 ttmt -62.17 -48.24 80.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 2.19 108.888 179.768 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.09 -34.46 68.33 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.597 -0.689 . . . . 1.34 109.63 179.598 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.72 109.852 -179.705 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.648 ' NE2' HD11 ' D' ' 350' ' ' LEU . 8.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 1.8 109.572 -179.913 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.27 0.557 . . . . 1.67 109.506 . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 51.3 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.61 109.374 179.791 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 69.8 m-85 -138.11 -168.29 2.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.56 109.504 -179.901 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 19.5 p -153.21 162.64 41.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.43 109.615 -179.748 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 329' ' ' THR . 23.9 tp -150.03 133.11 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.35 109.361 179.992 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -86.61 126.31 34.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.915 . . . . 1.37 109.744 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -124.06 116.53 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.48 109.326 179.72 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.503 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 2.1 ttt-85 -74.08 159.66 32.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 2.08 109.861 -179.859 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 80.2 134.73 1.33 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.86 -1.296 . . . . 0.4 109.86 179.6 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 58.5 ttt180 -81.01 -49.0 11.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 2.64 109.388 179.805 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.58 -51.07 71.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.398 -0.814 . . . . 2.22 109.416 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.1 85.47 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 2.74 109.23 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.1 t80 -55.3 -53.04 61.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.43 109.515 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.43 -34.51 35.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.318 -0.864 . . . . 1.69 109.779 -179.835 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.67 -50.56 70.67 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.166 -0.959 . . . . 0.43 109.882 -179.476 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.1 m-85 -60.72 -54.68 42.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.27 109.213 -179.915 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.01 -34.4 29.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.365 -0.834 . . . . 2.45 109.483 179.879 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.32 -49.03 79.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 1.75 109.477 -179.912 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.15 -34.78 75.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.358 -0.839 . . . . 0.31 108.846 179.683 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' B' ' 330' ' ' LEU . 9.6 t-20 -59.27 -53.28 60.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.483 -0.76 . . . . 1.22 109.713 179.759 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.374 -0.829 . . . . 1.73 110.092 -179.542 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.63 -53.25 59.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.18 -0.95 . . . . 0.28 110.077 -179.584 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.0 mt -60.83 -43.52 98.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.31 109.747 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.53 -35.3 73.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -0.929 . . . . 1.91 109.573 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -65.62 -41.0 93.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.281 -0.887 . . . . 0.43 109.417 -179.914 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -62.09 -48.31 80.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.842 . . . . 1.57 108.942 179.734 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.06 -34.5 68.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.467 -0.771 . . . . 1.44 109.627 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.37 69.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.64 109.84 -179.716 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.438 ' NE2' HD11 ' C' ' 350' ' ' LEU . 8.6 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.128 -0.983 . . . . 1.21 109.476 -179.863 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.449 -0.574 . . . . 1.7 109.449 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 54.2 m-85 -93.28 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.355 -0.841 . . . . 0.61 109.468 179.955 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.8 m-85 -138.44 -163.97 1.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.58 109.424 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 22.4 p -154.41 161.16 41.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.113 -0.992 . . . . 0.42 109.698 -179.859 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.0 tp -149.01 132.93 17.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 0.36 109.365 179.97 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 34.3 tt0 -85.66 134.33 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 1.37 109.711 -179.921 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' A' ' 338' ' ' PHE . 53.3 mt -123.93 119.96 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.915 . . . . 0.47 109.464 179.839 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.69 45.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 2.1 109.756 -179.906 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.23 138.52 4.44 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.89 -1.284 . . . . 0.42 109.89 179.626 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.9 ttp180 -81.22 -47.11 13.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -1.088 . . . . 2.68 109.317 179.707 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 337' ' ' ARG . 16.4 pt-20 -58.52 -47.83 82.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 2.22 109.383 179.896 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 336' ' ' GLU . 1.8 ttm180 -61.47 -39.95 92.75 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.409 -0.807 . . . . 2.77 109.496 179.797 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' A' ' 332' ' ' ILE . 37.2 t80 -54.9 -54.77 38.33 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.378 -0.826 . . . . 0.43 109.597 -179.895 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.65 -34.52 38.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -0.821 . . . . 1.66 109.773 -179.823 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.89 -50.31 69.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.248 -0.908 . . . . 0.44 110.229 -179.514 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 29.4 m-85 -60.78 -52.47 64.94 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.276 -0.89 . . . . 0.29 109.338 -179.818 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -51.35 -37.11 46.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.364 -0.835 . . . . 2.44 109.734 179.875 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 1.74 109.764 -179.72 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.15 -32.76 72.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.21 -0.931 . . . . 0.3 108.914 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.425 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.5 t-20 -58.79 -54.81 42.92 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.419 -0.801 . . . . 1.22 109.386 179.53 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.32 -30.78 71.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.429 -0.794 . . . . 1.72 109.869 -179.916 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -55.58 32.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.27 110.048 -179.54 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.04 -42.09 97.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -0.854 . . . . 0.29 109.479 -179.737 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.16 -34.7 72.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 1.91 109.507 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 350' ' ' LEU . 17.1 tp -65.2 -42.04 93.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.833 . . . . 0.41 109.235 179.862 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -50.17 73.72 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.768 0.794 . . . . 1.56 108.881 179.519 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -30.3 67.76 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 1.43 109.623 179.61 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.33 69.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.66 109.432 -179.764 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.501 HE21 HD21 ' B' ' 350' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.866 . . . . 1.18 109.379 179.722 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.519 -0.548 . . . . 1.61 109.519 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -93.25 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.324 -0.86 . . . . 0.57 109.498 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.41 -163.93 1.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.53 109.389 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 22.3 p -154.57 161.09 41.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 0.38 109.647 -179.896 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.2 tp -148.91 133.05 17.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.342 -179.938 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 34.3 tt0 -85.76 134.3 33.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.36 109.684 -179.868 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' B' ' 338' ' ' PHE . 53.3 mt -123.85 119.86 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.49 109.531 179.851 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.7 45.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 2.1 109.743 -179.897 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.07 138.57 4.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.906 -1.277 . . . . 0.44 109.906 179.67 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.0 ttp180 -81.22 -47.05 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -1.111 . . . . 2.72 109.347 179.764 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.58 -47.72 83.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.21 109.393 179.858 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.59 -39.98 93.12 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.349 -0.844 . . . . 2.79 109.395 179.874 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' B' ' 332' ' ' ILE . 36.8 t80 -54.88 -54.79 37.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 0.45 109.546 -179.907 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.68 -34.42 38.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.68 109.806 -179.783 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.94 -50.24 69.45 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.226 -0.921 . . . . 0.43 110.204 -179.487 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.607 ' HB2' HD13 ' B' ' 332' ' ' ILE . 29.3 m-85 -60.86 -52.44 65.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.955 . . . . 0.28 109.37 -179.817 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -51.42 -37.0 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 2.52 109.742 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.57 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.121 -0.987 . . . . 1.75 109.776 -179.806 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.14 -32.72 72.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.187 -0.946 . . . . 0.31 108.945 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.5 t-20 -58.78 -54.78 43.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.381 -0.824 . . . . 1.21 109.344 179.494 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.48 -30.69 71.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.456 -0.778 . . . . 1.69 109.828 -179.809 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -55.52 32.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.27 109.995 -179.536 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -42.04 97.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.3 109.374 -179.619 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.17 -34.66 72.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 1.93 109.524 179.889 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.501 HD21 HE21 ' A' ' 354' ' ' GLN . 17.1 tp -65.3 -42.0 93.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.4 109.22 179.861 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -50.25 73.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 1.59 108.859 179.486 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.3 67.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.691 -0.631 . . . . 1.43 109.569 179.634 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.31 69.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.347 -0.846 . . . . 0.65 109.322 -179.646 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.239 -0.913 . . . . 1.19 109.439 179.702 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.467 -0.568 . . . . 2.11 109.467 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -93.45 158.77 15.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.64 109.451 179.943 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.38 -164.0 1.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 0.49 109.37 -179.827 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 22.5 p -154.44 161.15 41.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -0.988 . . . . 0.47 109.71 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.3 tp -149.01 133.02 17.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 0.42 109.333 179.975 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 34.4 tt0 -85.67 134.33 33.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.81 109.745 -179.963 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' HD1' ' C' ' 338' ' ' PHE . 53.1 mt -123.88 119.83 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.42 109.494 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.08 146.72 45.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 2.35 109.745 -179.945 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.0 138.52 4.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.961 -1.256 . . . . 0.41 109.961 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.8 ttp180 -81.15 -47.11 13.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -1.088 . . . . 2.59 109.377 179.696 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.51 -47.94 82.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.386 -0.821 . . . . 2.54 109.333 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.45 -39.88 92.46 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.399 -0.813 . . . . 3.39 109.476 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.625 ' HD1' HD12 ' C' ' 332' ' ' ILE . 36.6 t80 -54.98 -54.69 39.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.47 109.544 -179.881 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -51.77 -34.44 39.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 1.66 109.736 -179.781 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.93 -50.26 69.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.174 -0.953 . . . . 0.61 110.257 -179.511 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' C' ' 332' ' ' ILE . 29.3 m-85 -60.89 -52.37 65.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.33 109.317 -179.876 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -51.46 -37.08 47.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.344 -0.847 . . . . 3.28 109.726 179.909 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.46 77.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.78 109.788 -179.684 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.13 -32.8 72.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.251 -0.906 . . . . 0.38 108.881 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.6 t-20 -58.83 -54.67 44.48 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.437 -0.789 . . . . 1.2 109.381 179.641 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.36 -30.85 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.302 -0.874 . . . . 2.12 109.851 -179.928 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.03 -55.57 32.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.26 110.062 -179.571 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -41.94 97.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 0.4 109.493 -179.673 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.23 -34.67 72.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.243 -0.91 . . . . 2.09 109.436 179.845 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.9 tp -65.29 -41.99 93.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.75 109.2 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.18 73.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.851 . . . . 2.19 108.802 179.541 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.24 67.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.576 -0.703 . . . . 1.34 109.638 179.574 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.56 -29.42 70.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.72 109.369 -179.743 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.369 -0.832 . . . . 1.8 109.39 179.759 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.475 -0.565 . . . . 1.67 109.475 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -93.34 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.61 109.424 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.7 m-85 -138.48 -163.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.56 109.39 -179.897 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 22.5 p -154.5 161.03 41.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.04 -1.037 . . . . 0.43 109.724 -179.822 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -148.98 133.01 17.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.324 -0.86 . . . . 0.35 109.362 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 34.2 tt0 -85.84 134.43 33.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.37 109.587 -179.739 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.619 HD12 ' HD1' ' D' ' 338' ' ' PHE . 53.0 mt -123.93 119.72 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.341 -0.849 . . . . 0.48 109.482 179.928 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.1 146.72 45.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 2.08 109.722 -179.943 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.463 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.18 138.37 4.36 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.947 -1.261 . . . . 0.4 109.947 179.644 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.9 ttp180 -81.06 -47.09 14.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.297 -1.12 . . . . 2.64 109.371 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.59 -47.67 83.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 2.22 109.372 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -61.69 -39.79 92.68 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.24 -0.912 . . . . 2.74 109.464 179.884 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.619 ' HD1' HD12 ' D' ' 332' ' ' ILE . 37.3 t80 -54.99 -54.75 38.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.368 -0.833 . . . . 0.43 109.627 -179.988 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.57 -34.52 37.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 1.69 109.843 -179.892 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.88 -50.3 69.31 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.207 -0.933 . . . . 0.43 110.208 -179.458 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.601 ' HB2' HD13 ' D' ' 332' ' ' ILE . 29.2 m-85 -60.91 -52.37 65.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.27 109.351 -179.771 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -51.37 -37.13 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.443 -0.785 . . . . 2.45 109.741 179.788 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.07 -49.56 77.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.167 -0.958 . . . . 1.75 109.732 -179.709 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.0 -32.85 72.42 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.26 -0.9 . . . . 0.31 108.962 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.5 t-20 -58.8 -54.7 44.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.427 -0.796 . . . . 1.22 109.395 179.55 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.41 -30.83 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 1.73 109.849 -179.903 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -55.55 32.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.28 110.08 -179.569 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.23 -41.96 97.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.939 . . . . 0.31 109.411 -179.667 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.2 -34.71 72.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.873 . . . . 1.91 109.444 179.902 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.506 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 17.1 tp -65.3 -41.95 93.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.28 -0.887 . . . . 0.43 109.159 179.929 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.22 73.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.57 108.764 179.528 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.97 -30.12 67.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.639 -0.663 . . . . 1.44 109.636 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.71 -29.35 69.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.64 109.302 -179.717 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.896 . . . . 1.21 109.441 179.675 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.31 -0.626 . . . . 1.7 109.31 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 24.2 m-85 -93.83 155.96 16.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.61 109.834 -179.634 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.2 m-85 -138.75 -169.16 2.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.58 109.324 179.892 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 25.0 p -154.01 156.65 37.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.42 109.645 -179.798 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.7 133.64 18.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.36 109.544 -179.869 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.04 34.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 1.37 109.104 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.39 112.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.47 109.687 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.21 145.74 46.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 2.1 109.371 179.807 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 96.67 136.78 9.12 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.721 -1.352 . . . . 0.42 109.721 179.932 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.0 ttm180 -80.25 -56.45 4.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -1.079 . . . . 2.68 109.528 179.99 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.31 -42.69 87.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 2.22 109.507 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -43.03 95.76 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.283 -0.886 . . . . 2.77 109.447 -179.971 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.6 t80 -55.83 -55.45 32.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.43 109.628 -179.948 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.26 -36.24 30.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.66 109.75 -179.768 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.61 -48.45 77.28 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.231 -0.918 . . . . 0.44 110.058 -179.597 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.14 -55.97 26.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.29 109.303 -179.878 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.48 -34.5 25.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.371 -0.831 . . . . 2.44 109.495 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.1 -49.72 76.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.165 -0.959 . . . . 1.74 109.585 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.58 -34.33 75.43 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.863 . . . . 0.3 108.94 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.36 -54.16 49.92 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.434 -0.791 . . . . 1.22 109.651 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.95 -33.46 75.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.496 -0.752 . . . . 1.72 110.083 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.89 -53.47 57.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 0.27 110.087 -179.546 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.22 -42.59 98.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.29 109.659 -179.607 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.12 -34.18 73.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 1.91 109.716 -179.923 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.501 HD21 HE21 ' B' ' 354' ' ' GLN . 7.2 tp -64.53 -47.49 78.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.898 . . . . 0.41 109.673 -179.802 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.38 -45.48 94.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.785 . . . . 1.56 109.19 -179.954 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.07 -30.6 64.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.6 -0.687 . . . . 1.43 109.672 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.62 82.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.66 110.05 -179.578 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.435 HE21 HD21 ' B' ' 350' ' ' LEU . 10.9 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 1.18 109.685 -179.703 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.183 -0.673 . . . . 1.61 109.183 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 24.6 m-85 -93.83 156.02 16.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.237 -0.914 . . . . 0.57 109.844 -179.715 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.3 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.53 109.31 179.843 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.417 HG23 ' O ' ' B' ' 328' ' ' PHE . 24.8 p -154.06 156.64 37.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.962 . . . . 0.38 109.657 -179.78 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.68 133.54 18.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.36 109.557 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.41 131.07 34.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 1.36 109.188 179.784 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.7 mt -123.46 112.1 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.49 109.65 -179.795 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.24 145.96 45.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.223 -0.923 . . . . 2.1 109.321 179.808 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 96.51 136.83 9.1 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.924 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.0 ttm180 -80.34 -56.52 4.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -1.106 . . . . 2.72 109.445 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.19 -43.01 87.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.342 -0.849 . . . . 2.21 109.469 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.69 -43.23 94.13 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.351 -0.843 . . . . 2.79 109.485 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.8 t80 -55.79 -55.42 32.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.45 109.638 -179.973 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -50.39 -36.14 31.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.277 -0.889 . . . . 1.68 109.871 -179.774 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.51 -48.44 77.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.341 -0.849 . . . . 0.43 110.104 -179.748 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.2 -55.89 27.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.184 -0.948 . . . . 0.28 109.367 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.49 -34.51 25.37 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.442 -0.787 . . . . 2.52 109.5 179.745 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.09 -49.61 76.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.186 -0.946 . . . . 1.75 109.647 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.7 -34.22 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.912 . . . . 0.31 108.885 179.813 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.44 -54.1 50.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.503 -0.748 . . . . 1.21 109.643 179.659 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.04 -33.48 75.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.424 -0.798 . . . . 1.69 110.07 -179.51 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -53.47 57.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.275 -0.89 . . . . 0.27 110.003 -179.527 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.16 -42.71 99.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.28 -0.888 . . . . 0.3 109.591 -179.552 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.04 -34.22 73.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 1.93 109.716 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.435 HD21 HE21 ' A' ' 354' ' ' GLN . 7.2 tp -64.58 -47.37 78.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.4 109.71 -179.832 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.51 93.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.361 -0.837 . . . . 1.59 109.205 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.49 64.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.476 -0.765 . . . . 1.43 109.704 179.735 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.79 81.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.779 . . . . 0.65 109.94 -179.56 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.501 HE21 HD21 ' A' ' 350' ' ' LEU . 11.0 mt-30 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 1.19 109.69 -179.679 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.262 -0.644 . . . . 2.11 109.262 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 24.0 m-85 -93.89 155.74 17.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.64 109.876 -179.645 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.9 m-85 -138.53 -169.02 2.51 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.49 109.352 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 328' ' ' PHE . 24.8 p -154.13 156.56 37.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.038 -1.039 . . . . 0.47 109.605 -179.785 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.61 133.63 18.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.374 -0.829 . . . . 0.42 109.537 -179.815 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.06 34.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.234 -0.916 . . . . 1.81 109.145 179.838 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.3 mt -123.43 112.02 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.949 . . . . 0.42 109.697 -179.855 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 145.81 46.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 2.35 109.372 179.724 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.63 136.8 9.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.68 -1.368 . . . . 0.41 109.68 179.831 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.0 ttm180 -80.37 -56.39 4.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -1.124 . . . . 2.59 109.509 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.21 -42.96 87.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.275 -0.89 . . . . 2.54 109.461 179.927 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.79 -43.18 94.54 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.252 -0.905 . . . . 3.39 109.489 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.66 -55.5 31.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.47 109.658 -179.966 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.4 -36.2 31.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 1.66 109.795 -179.739 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.42 -48.59 77.17 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.239 -0.913 . . . . 0.61 110.098 -179.714 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.08 -56.07 25.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.33 109.279 -179.825 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.36 -34.63 24.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.404 -0.81 . . . . 3.28 109.509 179.743 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.96 -49.78 76.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.068 -1.02 . . . . 1.78 109.621 -179.92 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.52 -34.37 75.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.885 . . . . 0.38 108.92 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.3 -54.14 50.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.2 109.718 179.693 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.0 -33.43 75.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.424 -0.797 . . . . 2.12 110.119 -179.556 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -53.54 56.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.197 -0.939 . . . . 0.26 109.94 -179.549 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.233 -0.917 . . . . 0.4 109.669 -179.535 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.05 -34.19 73.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.218 -0.926 . . . . 2.09 109.73 -179.975 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.5 HD21 HE21 ' D' ' 354' ' ' GLN . 7.3 tp -64.57 -47.4 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.75 109.657 -179.787 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.49 94.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 2.19 109.171 -179.918 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.59 64.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.523 -0.736 . . . . 1.34 109.613 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.38 -44.74 82.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 0.72 109.952 -179.489 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.439 HE21 HD21 ' D' ' 350' ' ' LEU . 11.0 mt-30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 1.8 109.682 -179.696 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.179 -0.674 . . . . 1.67 109.179 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 24.3 m-85 -93.94 155.97 16.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.205 -0.934 . . . . 0.61 109.703 -179.678 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.2 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.353 -0.842 . . . . 0.56 109.337 179.816 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' D' ' 328' ' ' PHE . 25.0 p -154.04 156.77 37.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.129 -0.982 . . . . 0.43 109.657 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.74 133.55 17.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.35 109.561 -179.753 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.53 130.94 34.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 1.37 109.135 179.868 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.0 mt -123.29 112.04 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.48 109.683 -179.813 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 145.85 46.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 2.08 109.41 179.755 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.64 136.7 9.08 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.0 ttm180 -80.29 -56.34 4.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 2.64 109.569 179.88 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.29 -42.91 87.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 2.22 109.42 179.951 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.91 -43.07 95.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.246 -0.908 . . . . 2.74 109.467 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.5 t80 -55.91 -55.3 34.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.43 109.677 -179.969 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.33 -36.22 31.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 1.69 109.777 -179.837 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.59 -48.46 77.28 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.119 -0.988 . . . . 0.43 110.041 -179.592 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -61.1 -56.02 25.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.187 -0.945 . . . . 0.27 109.324 -179.834 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.42 -34.56 24.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.443 -0.785 . . . . 2.45 109.446 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.04 -49.74 76.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.112 -0.992 . . . . 1.75 109.547 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.57 -34.42 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.31 108.938 179.794 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.27 -54.18 49.8 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -0.789 . . . . 1.22 109.684 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.94 -33.4 75.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.368 -0.832 . . . . 1.73 110.096 -179.569 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.5 57.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.28 110.038 -179.559 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.2 -42.55 98.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.31 109.671 -179.573 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.19 -34.12 73.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 1.91 109.695 -179.922 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.439 HD21 HE21 ' C' ' 354' ' ' GLN . 7.3 tp -64.68 -47.39 78.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.43 109.676 -179.776 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -61.32 -45.53 94.07 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.438 -0.789 . . . . 1.57 109.176 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.19 -30.5 64.58 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.521 -0.737 . . . . 1.44 109.649 179.836 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.74 82.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.64 110.004 -179.599 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.5 HE21 HD21 ' C' ' 350' ' ' LEU . 10.9 mt-30 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 1.21 109.778 -179.785 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.561 -0.533 . . . . 1.7 109.561 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -92.92 155.08 17.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.61 109.449 179.874 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 89.1 m-85 -138.66 -167.46 2.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.291 -0.881 . . . . 0.58 109.711 -179.717 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.3 p -152.74 157.41 40.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.42 109.384 -179.865 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 11.0 tp -149.48 132.93 16.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 0.36 109.696 -179.799 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.347 -0.846 . . . . 1.37 109.111 179.682 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.77 113.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.16 -0.962 . . . . 0.47 109.889 -179.742 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -73.98 149.62 41.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 2.1 109.563 179.746 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.16 136.7 9.2 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.836 -1.306 . . . . 0.42 109.836 179.638 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.9 ttt180 -77.8 -61.96 1.83 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.324 -1.104 . . . . 2.68 109.37 179.787 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -39.58 78.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.316 -0.865 . . . . 2.22 109.282 179.802 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.1 87.43 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.263 -0.898 . . . . 2.77 109.577 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.17 -55.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.448 -0.782 . . . . 0.43 109.713 -179.801 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.0 -35.93 36.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.343 -0.848 . . . . 1.66 109.974 -179.717 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.5 -49.61 72.9 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.159 -0.963 . . . . 0.44 110.316 -179.326 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 332' ' ' ILE . 32.4 m-85 -60.74 -49.75 76.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.151 -0.968 . . . . 0.29 109.449 -179.757 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 8.0 ttm180 -51.51 -41.96 61.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.279 -0.888 . . . . 2.44 109.82 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -43.38 98.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.172 -0.955 . . . . 1.74 110.15 -179.55 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -62.04 -42.46 99.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.092 -1.005 . . . . 0.3 109.475 -179.733 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.4 -50.79 72.43 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.22 109.549 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.14 -30.17 70.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.21 -0.931 . . . . 1.72 109.786 -179.936 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.45 -53.71 52.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.27 109.994 -179.651 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.0 -42.31 98.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 0.29 109.662 -179.566 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.66 -36.89 77.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 1.91 109.731 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -64.35 -44.73 90.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.41 109.262 -179.815 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.38 -37.2 82.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.402 -0.811 . . . . 1.56 108.82 179.613 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -57.11 -32.69 66.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.513 -0.742 . . . . 1.43 109.285 179.568 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.31 66.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.323 -0.861 . . . . 0.66 109.417 179.999 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.285 -0.884 . . . . 1.18 109.534 179.942 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.55 -0.537 . . . . 1.61 109.55 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -92.99 154.96 17.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.57 109.39 179.896 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 88.6 m-85 -138.57 -167.49 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.53 109.645 -179.755 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -152.71 157.36 40.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.38 109.339 -179.794 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 329' ' ' THR . 11.0 tp -149.44 133.0 16.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.237 -0.915 . . . . 0.36 109.727 -179.862 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 41.8 tt0 -86.63 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 1.36 109.007 179.695 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.2 mt -123.88 113.94 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 109.823 -179.791 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -74.01 149.65 41.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 2.1 109.507 179.765 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.08 136.63 9.16 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.973 -1.251 . . . . 0.44 109.973 179.679 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.401 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.9 ttt180 -77.66 -62.07 1.78 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.129 . . . . 2.72 109.316 179.837 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -39.47 78.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 2.21 109.298 179.935 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.14 87.28 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.323 -0.861 . . . . 2.79 109.617 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.1 -55.87 26.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.825 . . . . 0.45 109.703 -179.833 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.94 -35.97 36.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.68 110.019 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.74 72.7 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.176 -0.953 . . . . 0.43 110.303 -179.344 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.0 m-85 -60.83 -49.6 76.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.28 109.416 -179.655 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.52 -41.99 61.42 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.36 -0.837 . . . . 2.52 109.846 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.14 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.882 . . . . 1.75 110.081 -179.458 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' A' ' 344' ' ' LEU . 72.9 mt -61.97 -42.59 99.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.08 -1.013 . . . . 0.31 109.514 -179.772 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.21 -50.88 71.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.32 -0.863 . . . . 1.21 109.574 179.849 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.34 -30.03 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 1.69 109.655 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.45 -53.69 53.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 0.27 110.074 -179.691 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.04 -42.29 98.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.3 109.599 -179.597 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.65 -36.76 77.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.398 -0.814 . . . . 1.93 109.838 -179.885 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -64.36 -44.73 90.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.4 109.316 -179.938 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.41 -37.26 82.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 1.59 108.725 179.625 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -57.1 -32.67 66.54 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.526 -0.734 . . . . 1.43 109.311 179.563 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -49.41 66.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.65 109.479 179.923 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.857 . . . . 1.19 109.635 179.899 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.282 0.563 . . . . 2.11 109.514 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -92.96 155.03 17.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.185 -0.947 . . . . 0.64 109.322 179.962 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 89.0 m-85 -138.72 -167.52 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -0.848 . . . . 0.49 109.636 -179.75 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.4 p -152.76 157.26 40.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.47 109.447 -179.806 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.1 tp -149.35 132.97 16.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.42 109.678 -179.744 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.82 34.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.81 109.059 179.678 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.51 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.6 mt -123.85 113.9 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.42 109.835 -179.753 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.95 149.74 41.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.35 109.518 179.732 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.03 136.63 9.15 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.905 -1.278 . . . . 0.41 109.905 179.583 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.594 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt180 -77.65 -61.9 1.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -1.124 . . . . 2.59 109.503 179.759 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -39.59 79.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 2.54 109.267 179.813 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -47.18 87.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.39 109.596 179.992 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -54.92 -55.91 25.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.34 -0.85 . . . . 0.47 109.777 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.91 37.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.66 109.979 -179.67 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.78 72.55 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.16 -0.962 . . . . 0.61 110.293 -179.42 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.51 ' HB2' HD13 ' C' ' 332' ' ' ILE . 32.2 m-85 -60.78 -49.61 76.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.33 109.42 -179.646 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 8.1 ttm180 -51.61 -41.95 61.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -0.889 . . . . 3.28 109.787 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.12 -43.39 98.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 1.78 110.144 -179.57 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' D' ' 344' ' ' LEU . 72.2 mt -62.09 -42.53 99.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.213 -0.929 . . . . 0.38 109.421 -179.681 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -50.78 72.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 1.2 109.606 179.883 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -62.34 -30.09 70.92 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.385 -0.822 . . . . 2.12 109.695 -179.843 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.5 -53.66 53.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.253 -0.905 . . . . 0.26 110.016 -179.649 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.0 -42.29 98.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.4 109.695 -179.642 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.61 -36.96 77.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 2.09 109.749 -179.863 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -64.36 -44.76 90.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 0.75 109.261 -179.817 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 16.0 ttmm -61.37 -37.22 82.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.348 -0.845 . . . . 2.19 108.75 179.594 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -57.03 -32.68 66.43 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.471 -0.768 . . . . 1.34 109.331 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.26 66.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.194 -0.941 . . . . 0.72 109.439 179.99 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.432 ' NE2' HD11 ' D' ' 350' ' ' LEU . 5.7 mt-30 . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 1.8 109.515 179.911 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.511 -0.552 . . . . 1.67 109.511 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -93.07 154.98 17.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -0.966 . . . . 0.61 109.376 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 88.6 m-85 -138.54 -167.55 2.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.56 109.704 -179.72 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 17.5 p -152.63 157.47 41.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.43 109.447 -179.87 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.53 132.92 16.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.942 . . . . 0.35 109.686 -179.817 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.53 129.97 34.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.81 . . . . 1.37 109.071 179.629 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.2 mt -123.93 113.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.48 109.826 -179.743 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.99 149.66 41.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.821 . . . . 2.08 109.475 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 136.68 9.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.911 -1.276 . . . . 0.4 109.911 179.565 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.9 ttt180 -77.71 -62.02 1.8 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -1.161 . . . . 2.64 109.375 179.822 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -39.45 78.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.852 . . . . 2.22 109.304 179.89 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -47.05 87.66 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.238 -0.914 . . . . 2.74 109.614 179.921 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.1 -55.84 26.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.429 -0.795 . . . . 0.43 109.691 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.89 37.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 1.69 110.009 -179.661 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.41 -49.72 72.65 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.111 -0.993 . . . . 0.43 110.308 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 32.3 m-85 -60.82 -49.54 77.07 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.241 -0.912 . . . . 0.27 109.492 -179.709 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.54 -42.01 61.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.87 . . . . 2.45 109.835 179.771 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.11 -43.43 98.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.211 -0.93 . . . . 1.75 110.095 -179.501 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' C' ' 344' ' ' LEU . 73.1 mt -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.177 -0.952 . . . . 0.31 109.524 -179.775 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.23 -50.86 72.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.22 109.553 179.928 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.27 -30.1 70.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 1.73 109.674 -179.78 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -53.81 51.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.239 -0.913 . . . . 0.28 110.042 -179.676 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.01 -42.33 98.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.26 -0.9 . . . . 0.31 109.654 -179.551 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.63 -36.82 77.11 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 1.91 109.783 -179.899 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.34 -44.73 90.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.43 109.219 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 15.9 ttmm -61.41 -37.21 82.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.234 -0.916 . . . . 1.57 108.773 179.597 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -57.14 -32.66 66.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.488 -0.757 . . . . 1.44 109.284 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -49.39 66.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.64 109.434 179.952 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.21 109.586 179.935 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.344 -0.613 . . . . 1.7 109.344 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.443 ' HB3' ' NE2' ' C' ' 331' ' ' GLN . 70.1 m-85 -93.45 158.4 15.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.911 . . . . 0.61 109.515 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 98.6 m-85 -138.8 -171.33 3.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.224 -0.923 . . . . 0.58 109.369 179.921 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 35.2 p -154.36 152.88 30.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.42 109.517 -179.883 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.8 tp -147.57 133.18 18.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.918 . . . . 0.36 109.464 -179.788 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 35.0 tt0 -85.88 135.03 33.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -0.849 . . . . 1.37 109.465 -179.917 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' A' ' 341' ' ' PHE . 35.9 mt -123.42 113.22 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.47 109.379 179.843 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 141.03 46.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.301 -0.874 . . . . 2.1 109.482 -179.937 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.92 10.55 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.788 -1.325 . . . . 0.42 109.788 179.922 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -75.59 -64.24 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -1.171 . . . . 2.68 109.5 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.42 -35.95 70.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 2.22 109.131 179.898 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.449 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.99 -47.54 82.69 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.41 -0.806 . . . . 2.77 109.445 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -56.26 -55.7 30.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 0.43 109.624 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.91 -37.95 54.43 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.418 -0.801 . . . . 1.66 110.264 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.06 -47.68 81.89 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.149 -0.969 . . . . 0.44 110.34 -179.162 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.67 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.4 m-85 -61.81 -49.43 76.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.29 109.451 -179.588 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.37 -37.35 47.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.371 -0.831 . . . . 2.44 109.857 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.4 -50.98 71.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.74 110.013 -179.558 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 344' ' ' LEU . 86.1 mt -60.99 -33.7 73.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.181 -0.949 . . . . 0.3 108.996 179.962 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.59 ' HB2' HD21 ' C' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.67 31.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 1.22 109.512 179.633 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.84 -28.19 69.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.72 109.836 -179.712 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -57.75 11.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.88 . . . . 0.27 109.927 -179.642 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.61 -37.43 81.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.29 109.409 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.05 -36.27 76.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.181 -0.949 . . . . 1.91 109.506 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 350' ' ' LEU . 20.4 tp -64.24 -43.41 94.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.41 109.469 179.918 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.52 -47.07 87.25 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.773 . . . . 1.56 109.079 179.896 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.22 -29.67 65.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.594 -0.691 . . . . 1.43 109.783 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.7 90.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.893 . . . . 0.66 110.003 -179.281 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 1.18 109.771 -179.83 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.363 -0.606 . . . . 1.61 109.363 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -93.49 158.47 15.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.57 109.494 -179.91 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.89 -171.5 3.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.53 109.393 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.552 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 34.9 p -154.18 153.15 31.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 0.38 109.43 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -147.7 133.12 18.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.36 109.416 -179.81 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 35.1 tt0 -85.87 135.14 33.82 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.31 -0.869 . . . . 1.36 109.501 179.924 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.679 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.3 mt -123.57 113.29 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.49 109.355 179.83 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 140.98 46.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.428 -0.795 . . . . 2.1 109.52 -179.942 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.46 139.9 10.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -75.51 -64.34 1.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 2.72 109.523 179.848 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.26 -36.12 70.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.854 . . . . 2.21 109.125 179.885 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.89 -47.66 82.13 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.461 179.907 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' B' ' 332' ' ' ILE . 41.4 t80 -56.1 -55.82 28.38 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.474 -0.766 . . . . 0.45 109.655 179.897 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.75 -38.11 54.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 1.68 110.234 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.04 -47.69 81.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.123 -0.986 . . . . 0.43 110.297 -179.042 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.679 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -61.74 -49.39 76.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.28 109.54 -179.635 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.33 -37.46 47.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.382 -0.824 . . . . 2.52 109.921 179.961 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.2 -51.22 70.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.143 -0.973 . . . . 1.75 110.038 -179.646 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 344' ' ' LEU . 86.5 mt -60.92 -33.65 73.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.31 109.01 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.541 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.79 30.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.5 -0.75 . . . . 1.21 109.496 179.658 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.62 -28.3 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.69 109.857 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.31 -57.63 11.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.943 . . . . 0.27 109.975 -179.606 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.76 -37.3 81.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.3 109.372 -179.835 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.06 -36.39 77.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.93 109.389 179.746 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.4 tp -64.22 -43.41 95.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.4 109.524 -180.0 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.48 -47.16 86.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.382 -0.824 . . . . 1.59 109.022 179.858 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.12 -29.72 65.74 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.415 0.626 . . . . 1.43 109.865 179.771 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.8 91.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.266 -0.896 . . . . 0.65 110.024 -179.229 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.19 109.714 -179.774 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.298 -0.63 . . . . 2.11 109.298 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -93.3 158.45 15.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.27 -0.894 . . . . 0.64 109.544 -179.994 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.89 -171.43 3.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.49 109.412 179.885 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 34.9 p -154.23 152.92 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.938 . . . . 0.47 109.543 -179.922 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.8 tp -147.48 133.25 18.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.42 109.381 -179.715 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 35.0 tt0 -86.07 135.05 33.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 1.81 109.48 179.986 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.669 HD13 ' HB2' ' C' ' 341' ' ' PHE . 35.8 mt -123.44 113.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.138 -0.976 . . . . 0.42 109.403 179.815 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.75 141.0 46.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.377 -0.827 . . . . 2.35 109.499 -179.915 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.84 10.51 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.756 -1.338 . . . . 0.41 109.756 179.871 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -75.46 -64.27 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -1.047 . . . . 2.59 109.545 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.33 -35.95 70.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.877 . . . . 2.54 109.208 179.86 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.44 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.61 82.45 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 3.39 109.405 179.874 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.576 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -56.18 -55.72 29.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.478 -0.764 . . . . 0.47 109.621 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.01 -37.86 54.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.39 -0.819 . . . . 1.66 110.208 -179.63 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.07 -47.64 82.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.061 -1.024 . . . . 0.61 110.45 -179.173 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.669 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.2 m-85 -61.85 -49.26 76.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 0.33 109.515 -179.679 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.45 -37.44 48.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 3.28 109.79 179.993 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.36 -50.98 71.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.134 -0.979 . . . . 1.78 110.006 -179.529 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.0 -33.76 73.75 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.934 . . . . 0.38 108.955 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.3 t-20 -59.36 -55.61 32.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.2 109.589 179.64 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.91 -28.11 69.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.427 -0.795 . . . . 2.12 109.865 -179.759 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -57.65 11.87 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.26 109.911 -179.653 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.79 -37.34 81.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.4 109.372 -179.74 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.01 -36.37 77.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.342 -0.849 . . . . 2.09 109.429 179.769 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.487 HD21 ' NE2' ' D' ' 354' ' ' GLN . 20.4 tp -64.23 -43.39 95.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.292 -0.88 . . . . 0.75 109.458 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.23 86.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.395 -0.816 . . . . 2.19 109.021 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.05 -29.64 65.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.588 -0.695 . . . . 1.34 109.891 179.707 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.6 90.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.311 -0.868 . . . . 0.72 110.067 -179.267 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 1.8 109.741 -179.854 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.357 -0.609 . . . . 1.67 109.357 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -93.37 158.46 15.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.313 -0.867 . . . . 0.61 109.539 -179.969 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.92 -171.4 3.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.195 -0.941 . . . . 0.56 109.437 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 34.8 p -154.26 153.01 30.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.43 109.427 -179.87 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.8 tp -147.59 133.14 18.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.35 109.515 -179.855 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.0 tt0 -85.97 135.11 33.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 1.37 109.429 -179.941 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.667 HD13 ' HB2' ' D' ' 341' ' ' PHE . 35.9 mt -123.53 113.37 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.48 109.315 179.86 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 141.0 46.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.341 -0.849 . . . . 2.08 109.501 -179.957 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.5 139.83 10.47 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.765 -1.334 . . . . 0.4 109.765 179.856 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -75.45 -64.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -1.118 . . . . 2.64 109.458 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.32 -35.95 70.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.262 -0.899 . . . . 2.22 109.157 179.97 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.433 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.64 82.34 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.311 -0.868 . . . . 2.74 109.366 179.844 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' D' ' 332' ' ' ILE . 41.3 t80 -56.21 -55.75 29.41 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.438 -0.789 . . . . 0.43 109.579 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.86 -38.04 54.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.415 -0.803 . . . . 1.69 110.247 -179.651 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.096 -1.002 . . . . 0.43 110.296 -179.05 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.667 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.2 m-85 -61.84 -49.38 76.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.131 -0.98 . . . . 0.27 109.491 -179.632 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -51.38 -37.43 48.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 2.45 109.854 179.99 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.3 -51.21 70.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 1.75 109.884 -179.535 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' D' ' 344' ' ' LEU . 86.6 mt -60.82 -33.79 73.56 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.973 . . . . 0.31 108.99 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -59.33 -55.78 30.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.504 -0.748 . . . . 1.22 109.52 179.662 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.79 -28.13 69.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 1.73 109.897 -179.749 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -57.6 12.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.28 109.973 -179.673 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -37.34 81.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.31 109.333 -179.822 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.03 -36.32 77.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 1.91 109.484 179.77 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' D' ' 350' ' ' LEU . 20.5 tp -64.41 -43.3 94.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.43 109.415 -179.888 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.06 87.35 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.362 -0.836 . . . . 1.57 109.07 179.82 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.32 -29.62 66.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 1.44 109.799 179.775 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.73 90.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.64 109.991 -179.291 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.487 ' NE2' HD21 ' C' ' 350' ' ' LEU . 3.4 mt-30 . . . . . 0 N--CA 1.492 1.665 0 O-C-N 121.085 -1.009 . . . . 1.21 109.744 -179.818 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.3 -0.63 . . . . 1.7 109.3 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.19 152.14 18.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.16 -0.963 . . . . 0.61 109.66 -179.961 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.3 m-85 -141.23 -174.88 4.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -0.892 . . . . 0.58 109.495 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.2 p -152.09 158.91 43.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.42 109.36 -179.91 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.13 132.78 16.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.36 109.548 -179.65 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 15.8 tt0 -85.96 129.75 34.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 1.37 109.381 179.825 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.81 116.92 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.47 109.646 -179.956 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.28 148.94 40.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.883 . . . . 2.1 109.534 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.51 136.26 7.44 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.726 -1.35 . . . . 0.42 109.726 179.622 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 15.5 ttm180 -81.93 -52.11 7.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.417 -1.049 . . . . 2.68 109.704 179.931 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.16 -46.53 85.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.828 . . . . 2.22 109.576 -179.968 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.67 96.32 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.249 -0.907 . . . . 2.77 109.624 -179.693 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.3 t80 -55.22 -55.01 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.46 -0.775 . . . . 0.43 109.868 -179.61 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -51.21 -37.61 47.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.892 . . . . 1.66 110.011 -179.491 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.03 -48.33 79.23 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.21 -0.932 . . . . 0.44 110.357 -179.273 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.64 -49.14 78.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.29 109.392 -179.664 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.76 -43.39 62.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 2.44 109.829 -179.957 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.38 -40.75 91.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.267 -0.896 . . . . 1.74 109.998 -179.55 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' B' ' 344' ' ' LEU . 23.8 mt -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.137 -0.977 . . . . 0.3 109.42 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -58.21 -49.85 75.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 1.22 109.642 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 1.72 109.881 -179.656 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -55.78 29.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 0.27 110.105 -179.583 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.65 -39.11 87.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.863 . . . . 0.29 109.611 -179.535 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.82 -38.02 80.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.351 -0.843 . . . . 1.91 109.627 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.745 HD11 ' NE2' ' B' ' 354' ' ' GLN . 1.5 tt -64.8 -39.9 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.303 -0.873 . . . . 0.41 109.311 -179.732 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.703 ' HD3' HD12 ' B' ' 350' ' ' LEU . 0.7 OUTLIER -60.46 -48.02 83.59 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.609 -0.886 . . . . 1.56 108.609 179.521 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -29.88 64.82 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.731 -0.606 . . . . 1.43 109.372 179.423 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.45 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.447 -0.783 . . . . 0.66 109.57 -179.737 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.512 ' NE2' HD11 ' B' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.18 109.331 179.746 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.334 -0.617 . . . . 1.61 109.334 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -95.17 152.35 18.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -0.97 . . . . 0.57 109.587 -179.962 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.0 m-85 -141.36 -174.81 4.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.53 109.508 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.2 p -152.1 158.93 43.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.137 -0.977 . . . . 0.38 109.316 -179.831 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.18 132.81 16.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.176 -0.952 . . . . 0.36 109.644 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 15.9 tt0 -86.05 129.68 34.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.36 109.289 179.947 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.86 117.12 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -0.93 . . . . 0.49 109.578 179.991 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.52 148.96 40.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 2.1 109.444 179.873 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.45 136.07 7.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.765 -1.334 . . . . 0.44 109.765 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 15.7 ttm180 -81.78 -52.13 7.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.347 -1.09 . . . . 2.72 109.65 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.37 -46.22 86.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.21 109.642 -179.884 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.03 -41.61 96.89 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.302 -0.874 . . . . 2.79 109.609 -179.762 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.6 t80 -55.21 -55.11 35.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.421 -0.8 . . . . 0.45 109.883 -179.645 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -51.06 -37.63 46.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -0.856 . . . . 1.68 110.093 -179.551 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.12 -48.2 79.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.142 -0.974 . . . . 0.43 110.347 -179.263 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.76 -49.03 79.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.176 -0.952 . . . . 0.28 109.48 -179.644 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.77 -43.41 62.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.369 -0.832 . . . . 2.52 109.796 179.972 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.23 -40.89 91.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 1.75 110.006 -179.62 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 344' ' ' LEU . 24.0 mt -62.09 -43.92 97.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.306 -0.871 . . . . 0.31 109.448 -179.76 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.15 -49.8 75.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.357 -0.839 . . . . 1.21 109.764 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.5 -31.15 71.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.917 . . . . 1.69 109.914 -179.786 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -55.75 29.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.27 110.105 -179.666 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.69 -39.07 87.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.3 109.536 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.84 -37.91 80.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.328 -0.858 . . . . 1.93 109.689 179.922 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.748 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -64.85 -39.92 94.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.4 109.35 -179.807 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -48.09 83.24 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.576 -0.898 . . . . 1.59 108.576 179.539 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.91 64.75 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.335 -0.617 . . . . 1.43 109.335 179.457 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.37 74.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.65 109.51 -179.697 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.745 ' NE2' HD11 ' A' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 1.19 109.324 179.787 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.316 -0.624 . . . . 2.11 109.316 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.2 152.44 18.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.154 -0.966 . . . . 0.64 109.541 -179.904 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -141.38 -174.88 4.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.2 -0.938 . . . . 0.49 109.475 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.515 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.1 p -152.11 159.01 43.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.47 109.307 -179.908 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.26 132.74 16.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.256 -0.902 . . . . 0.42 109.561 -179.684 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -85.96 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 1.81 109.397 179.824 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.85 117.04 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.167 -0.958 . . . . 0.42 109.561 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.37 148.93 40.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 2.35 109.494 179.778 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.44 7.51 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.7 -1.36 . . . . 0.41 109.7 179.658 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 15.5 ttm180 -82.16 -52.07 7.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -1.133 . . . . 2.59 109.656 179.928 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.32 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.895 . . . . 2.54 109.592 -179.942 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.255 -0.903 . . . . 3.39 109.738 -179.8 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.3 t80 -55.25 -55.02 36.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.745 . . . . 0.47 109.913 -179.634 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.06 -37.66 46.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.246 -0.909 . . . . 1.66 110.029 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.19 -48.27 79.05 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.179 -0.951 . . . . 0.61 110.269 -179.147 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.67 -49.09 78.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.33 109.448 -179.637 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.55 -43.6 62.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.374 -0.829 . . . . 3.28 109.841 179.931 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.22 -40.89 91.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -0.907 . . . . 1.78 109.966 -179.464 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' D' ' 344' ' ' LEU . 23.6 mt -62.13 -43.83 97.97 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.26 -0.9 . . . . 0.38 109.455 -179.726 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 1.2 109.671 179.975 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.43 -31.32 72.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.303 -0.873 . . . . 2.12 109.858 -179.68 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.2 -0.937 . . . . 0.26 110.085 -179.581 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.64 -39.12 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.319 -0.863 . . . . 0.4 109.581 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.78 -38.07 80.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.26 -0.9 . . . . 2.09 109.676 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.729 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.71 -39.97 94.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.226 -0.922 . . . . 0.75 109.367 -179.777 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.11 83.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 2.19 108.644 179.497 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -29.88 64.63 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.407 0.622 . . . . 1.34 109.373 179.395 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.34 73.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.72 109.491 -179.615 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' D' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.8 109.314 179.812 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.328 -0.619 . . . . 1.67 109.328 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -95.13 152.26 18.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.984 . . . . 0.61 109.564 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -141.32 -174.85 4.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.872 . . . . 0.56 109.402 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.9 p -152.13 158.88 43.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -0.934 . . . . 0.43 109.265 -179.849 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -149.11 132.83 16.89 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.35 109.656 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 15.8 tt0 -86.06 129.92 34.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 1.37 109.332 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.1 mt -123.88 116.88 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.142 -0.974 . . . . 0.48 109.594 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.21 149.04 41.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.349 -0.844 . . . . 2.08 109.529 179.712 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.32 136.31 7.37 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.801 -1.32 . . . . 0.4 109.801 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 15.6 ttm180 -82.04 -52.08 7.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.256 -1.144 . . . . 2.64 109.584 179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.32 -46.44 86.18 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.935 . . . . 2.22 109.567 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.62 96.23 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.259 -0.9 . . . . 2.74 109.7 -179.747 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -55.11 -55.09 34.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.413 -0.804 . . . . 0.43 109.911 -179.693 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.16 -37.65 47.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 1.69 110.022 -179.502 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.07 -48.32 79.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.134 -0.979 . . . . 0.43 110.263 -179.215 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.75 -48.91 79.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.122 -0.986 . . . . 0.27 109.5 -179.594 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -51.81 -43.46 63.11 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.401 -0.812 . . . . 2.45 109.817 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.24 -40.88 91.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.75 109.957 -179.577 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' C' ' 344' ' ' LEU . 23.8 mt -62.15 -43.8 98.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.221 -0.924 . . . . 0.31 109.44 -179.759 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.17 -49.93 75.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 1.22 109.648 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.39 -31.23 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.835 . . . . 1.73 109.921 -179.727 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.48 -55.71 30.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.28 110.036 -179.558 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.62 -39.16 87.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.31 109.61 -179.548 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.82 -37.98 80.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 1.91 109.654 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.726 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.78 -39.9 94.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 0.43 109.301 -179.71 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.618 ' HD3' HD12 ' C' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.15 82.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.57 108.659 179.487 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -29.86 64.77 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.701 -0.625 . . . . 1.44 109.356 179.452 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.34 73.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.64 109.548 -179.718 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' C' ' 350' ' ' LEU . 2.5 mt-30 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.21 109.364 179.723 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 328' ' ' PHE . 37.5 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.415 -0.587 . . . . 1.7 109.415 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 17.9 m-85 -95.07 150.13 20.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.61 109.65 -179.905 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 58.6 m-85 -140.65 138.49 34.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 0.58 109.091 179.245 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.27 170.99 9.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.42 109.904 -179.536 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.2 tp -149.83 131.03 14.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.43 -0.794 . . . . 0.36 109.412 179.774 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.65 124.16 32.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.177 -0.952 . . . . 1.37 109.561 -179.842 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.488 HG21 ' HD2' ' A' ' 341' ' ' PHE . 25.4 mt -124.16 113.9 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.47 109.612 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 0.2 OUTLIER -73.57 148.17 43.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 2.1 109.621 179.709 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.02 134.53 7.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.928 -1.269 . . . . 0.42 109.928 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -83.54 -51.5 7.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.309 -1.112 . . . . 2.68 109.354 179.81 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.46 85.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 2.22 109.221 179.823 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.75 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.28 86.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.236 -0.915 . . . . 2.77 109.181 179.796 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' C' ' 330' ' ' LEU . 27.1 t80 -53.95 -52.93 59.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.418 -0.801 . . . . 0.43 109.194 179.883 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -51.77 -35.39 43.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 1.66 109.802 -179.8 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.219 -0.926 . . . . 0.44 109.971 -179.391 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.488 ' HD2' HG21 ' A' ' 332' ' ' ILE . 18.5 m-85 -60.7 -47.21 87.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.29 109.364 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.3 62.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 2.44 109.852 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.1 -48.61 81.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.184 -0.948 . . . . 1.74 109.831 -179.489 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' B' ' 344' ' ' LEU . 74.2 mt -61.37 -33.67 74.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.17 -0.956 . . . . 0.3 109.164 -179.888 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.94 -57.37 13.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 1.22 109.453 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -29.01 70.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 1.72 109.873 -179.55 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -57.03 13.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.27 109.885 -179.546 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.786 HD13 ' NH1' ' C' ' 337' ' ' ARG . 15.8 mt -61.17 -41.16 96.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -0.886 . . . . 0.29 109.595 -179.465 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.59 -37.61 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 1.91 109.813 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.762 HD11 ' NE2' ' B' ' 354' ' ' GLN . 1.3 tt -65.19 -40.88 94.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.41 109.24 -179.752 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.76 -46.96 87.34 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.673 0.749 . . . . 1.56 109.217 179.719 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -31.43 61.65 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.562 -0.711 . . . . 1.43 109.6 179.937 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.62 90.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.66 109.345 -179.936 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' B' ' 350' ' ' LEU . 21.6 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.18 109.473 179.599 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.407 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 37.4 mt-10 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.445 -0.576 . . . . 1.61 109.445 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.51 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 17.8 m-85 -94.97 150.2 20.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.169 -0.957 . . . . 0.57 109.639 -179.863 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 59.1 m-85 -140.79 138.36 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.53 109.058 179.293 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -91.26 171.17 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.38 109.961 -179.511 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.92 130.98 14.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.416 -0.802 . . . . 0.36 109.339 179.882 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.6 124.17 32.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 1.36 109.609 -179.932 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.489 HG21 ' HD2' ' B' ' 341' ' ' PHE . 25.7 mt -124.2 114.07 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.194 -0.941 . . . . 0.49 109.584 179.877 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -73.67 148.25 42.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 2.1 109.593 179.789 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.96 134.6 7.32 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.595 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -83.63 -51.46 7.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.143 . . . . 2.72 109.41 179.704 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.4 85.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 2.21 109.218 179.791 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.709 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -61.61 -38.27 86.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.256 -0.903 . . . . 2.79 109.136 179.899 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.89 -52.98 58.76 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.427 -0.796 . . . . 0.45 109.197 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.75 -35.5 43.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.321 -0.862 . . . . 1.68 109.698 -179.763 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.63 74.25 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.207 -0.933 . . . . 0.43 109.97 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.489 ' HD2' HG21 ' B' ' 332' ' ' ILE . 18.7 m-85 -60.59 -47.24 87.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.114 -0.991 . . . . 0.28 109.352 -179.955 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.31 62.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.8 . . . . 2.52 109.832 -179.956 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -48.37 82.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 1.75 109.904 -179.499 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' A' ' 344' ' ' LEU . 74.3 mt -61.48 -33.67 74.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.31 109.12 -179.93 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.99 -57.45 12.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.382 -0.824 . . . . 1.21 109.491 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -29.0 70.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.418 -0.801 . . . . 1.69 110.024 -179.664 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.93 14.1 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.252 -0.905 . . . . 0.27 109.969 -179.611 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.702 HD13 ' NH1' ' D' ' 337' ' ' ARG . 15.5 mt -61.19 -41.13 96.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.276 -0.89 . . . . 0.3 109.622 -179.513 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.67 79.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.93 109.762 -179.824 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.719 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.19 -40.95 94.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.337 -0.852 . . . . 0.4 109.277 -179.683 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -46.67 88.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.474 -0.767 . . . . 1.59 109.199 179.738 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -31.43 61.93 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.523 -0.736 . . . . 1.43 109.637 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.59 90.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.65 109.329 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' A' ' 350' ' ' LEU . 21.6 mt-30 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.383 -0.823 . . . . 1.19 109.487 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.405 ' HB2' ' CZ ' ' C' ' 328' ' ' PHE . 37.5 mt-10 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 2.11 109.371 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 18.1 m-85 -95.05 150.15 20.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.64 109.708 -179.956 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 59.6 m-85 -140.62 138.59 34.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.49 109.017 179.234 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.36 171.04 9.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.468 -0.77 . . . . 0.47 109.937 -179.5 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 338' ' ' PHE . 16.3 tp -149.81 131.01 14.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 0.42 109.388 179.785 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.57 124.14 32.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 1.81 109.692 -179.994 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.5 HG21 ' HD2' ' C' ' 341' ' ' PHE . 25.5 mt -124.09 114.01 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.913 . . . . 0.42 109.685 179.88 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.529 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -73.61 148.16 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 2.35 109.537 179.846 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.93 134.63 7.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.896 -1.282 . . . . 0.41 109.896 179.623 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -83.67 -51.41 7.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.59 109.353 179.788 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -58.2 -46.41 85.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 2.54 109.181 179.849 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.786 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.21 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.244 -0.91 . . . . 3.39 109.255 179.762 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.08 -52.88 59.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.457 -0.777 . . . . 0.47 109.116 179.899 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.76 -35.5 43.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.384 -0.823 . . . . 1.66 109.731 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.6 74.38 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.22 -0.925 . . . . 0.61 110.002 -179.45 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.5 ' HD2' HG21 ' C' ' 332' ' ' ILE . 18.6 m-85 -60.62 -47.18 87.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.33 109.331 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.04 -41.35 62.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.393 -0.817 . . . . 3.28 109.812 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.08 -48.56 81.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.969 . . . . 1.78 109.87 -179.547 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.4 -33.69 74.11 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.928 . . . . 0.38 109.109 -179.851 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.01 -57.51 12.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.409 -0.807 . . . . 1.2 109.371 179.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -29.03 70.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.32 -0.863 . . . . 2.12 109.972 -179.668 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.85 -57.05 13.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.26 110.021 -179.592 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.75 HD13 ' NH1' ' A' ' 337' ' ' ARG . 15.6 mt -61.09 -41.23 96.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.331 -0.855 . . . . 0.4 109.623 -179.527 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.56 79.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 2.09 109.796 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.3 -40.87 94.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 0.75 109.21 -179.696 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.6 OUTLIER -61.81 -46.86 87.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 2.19 109.145 179.761 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -31.42 61.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.552 -0.718 . . . . 1.34 109.586 179.923 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.63 90.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.72 109.31 -179.995 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.637 ' NE2' HD11 ' D' ' 350' ' ' LEU . 21.7 mt-30 . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.236 -0.915 . . . . 1.8 109.42 179.705 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' D' ' 328' ' ' PHE . 37.4 mt-10 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.398 -0.593 . . . . 1.67 109.398 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 17.9 m-85 -94.93 150.13 20.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.324 -0.86 . . . . 0.61 109.711 -179.941 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 58.6 m-85 -140.67 138.64 34.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.23 -0.919 . . . . 0.56 109.071 179.241 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.53 171.1 9.41 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.426 -0.796 . . . . 0.43 109.885 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.82 130.99 14.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.35 109.418 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.64 124.2 32.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.322 -0.861 . . . . 1.37 109.549 -179.945 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' D' ' 341' ' ' PHE . 25.7 mt -124.18 113.77 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.265 -0.897 . . . . 0.48 109.706 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.2 OUTLIER -73.43 148.17 43.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 2.08 109.743 179.747 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.1 134.61 7.38 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.811 -1.316 . . . . 0.4 109.811 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -83.62 -51.51 7.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -1.084 . . . . 2.64 109.378 179.703 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.04 -46.47 85.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 2.22 109.298 179.772 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.702 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -61.49 -38.19 86.41 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.313 -0.867 . . . . 2.74 109.226 179.753 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.03 -53.01 58.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.46 -0.775 . . . . 0.43 109.094 179.924 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -51.63 -35.55 42.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.923 . . . . 1.69 109.759 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.73 -49.57 74.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.179 -0.951 . . . . 0.43 110.083 -179.452 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.499 ' HD2' HG21 ' D' ' 332' ' ' ILE . 18.6 m-85 -60.65 -47.22 87.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.27 109.405 179.893 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.93 -41.43 62.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.419 -0.801 . . . . 2.45 109.87 179.94 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.121 -0.987 . . . . 1.75 109.906 -179.565 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.48 -33.69 74.2 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.128 -0.982 . . . . 0.31 109.066 -179.884 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.07 -57.41 12.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.34 -0.85 . . . . 1.22 109.408 179.692 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.93 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.425 -0.797 . . . . 1.73 109.987 -179.72 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -57.05 13.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.28 109.945 -179.576 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.709 HD13 ' NH1' ' B' ' 337' ' ' ARG . 15.6 mt -61.18 -41.11 96.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.27 -0.894 . . . . 0.31 109.587 -179.53 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -59.65 -37.58 79.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.91 109.8 -179.833 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.29 -40.74 94.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.43 109.275 -179.689 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.503 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.85 -46.86 87.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.523 -0.736 . . . . 1.57 109.183 179.682 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -31.36 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.557 -0.714 . . . . 1.44 109.582 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.63 90.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.64 109.28 179.968 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.582 ' NE2' HD11 ' C' ' 350' ' ' LEU . 21.7 mt-30 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.838 . . . . 1.21 109.446 179.734 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.043 0.449 . . . . 1.7 109.802 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -97.74 155.04 17.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.61 109.734 179.762 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.65 -171.81 3.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.873 . . . . 0.58 109.366 179.798 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.479 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 61.9 p -152.6 160.47 43.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.117 -0.989 . . . . 0.42 109.432 -179.778 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.14 134.28 18.22 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.316 -0.865 . . . . 0.36 109.501 -179.69 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -85.88 128.33 34.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.37 109.31 179.92 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.6 mt -123.89 111.75 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.47 109.542 -179.937 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.32 153.79 40.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.228 -0.92 . . . . 2.1 109.429 179.773 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 126.14 2.62 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.586 -1.406 . . . . 0.42 109.586 179.853 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.4 OUTLIER -72.54 -52.51 15.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -1.06 . . . . 2.68 109.777 -179.924 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.74 -47.76 81.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 2.22 109.738 -179.669 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.63 -40.5 92.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.243 -0.911 . . . . 2.77 109.602 -179.742 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.6 t80 -54.92 -55.83 26.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.43 109.795 -179.686 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -51.6 -37.17 48.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.332 -0.855 . . . . 1.66 110.119 -179.56 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -62.68 -46.21 89.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.095 -1.003 . . . . 0.44 110.029 -179.374 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.1 m-85 -61.21 -52.05 66.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.29 109.437 -179.721 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 2.44 109.845 -179.888 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.84 -50.53 73.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 1.74 109.892 -179.616 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -60.87 -33.59 73.31 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.3 109.035 179.881 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.521 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.2 t-20 -59.0 -55.18 38.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.22 109.586 179.6 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.16 -27.99 69.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.433 -0.792 . . . . 1.72 110.0 -179.727 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.03 -56.1 25.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.27 110.235 -179.448 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' A' ' 351' ' ' LYS . 45.0 mt -60.51 -41.96 95.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.29 109.73 -179.428 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.11 -36.86 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 1.91 109.48 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.63 -39.69 91.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.41 109.499 -179.905 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -61.45 -45.83 92.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.507 -0.745 . . . . 1.56 109.045 179.942 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -59.44 -34.01 71.97 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.496 -0.752 . . . . 1.43 109.654 179.65 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.81 66.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.66 109.478 -179.779 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.627 ' OE1' HD21 ' B' ' 350' ' ' LEU . 1.3 mt-30 . . . . . 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 1.18 109.424 179.816 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.16 0.505 . . . . 1.61 109.742 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -97.78 155.08 17.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.57 109.683 179.821 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -140.77 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.376 -0.828 . . . . 0.53 109.351 179.924 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 61.5 p -152.69 160.48 43.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.38 109.345 -179.852 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.4 tp -149.07 134.28 18.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.891 . . . . 0.36 109.481 -179.665 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.78 128.25 34.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.36 109.385 179.872 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' B' ' 341' ' ' PHE . 52.3 mt -123.87 111.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 0.49 109.563 -179.906 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 154.05 40.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -0.893 . . . . 2.1 109.453 179.766 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.47 126.25 2.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.676 -1.369 . . . . 0.44 109.676 179.899 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.4 OUTLIER -72.73 -52.4 15.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.346 -1.091 . . . . 2.72 109.753 -179.849 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.85 -47.76 81.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 2.21 109.755 -179.696 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -60.5 -40.49 91.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.288 -0.883 . . . . 2.79 109.686 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.7 t80 -54.97 -55.73 27.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.443 -0.785 . . . . 0.45 109.821 -179.695 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -51.69 -37.09 49.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 1.68 110.076 -179.569 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.87 -45.99 89.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.115 -0.991 . . . . 0.43 110.123 -179.37 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.8 m-85 -61.35 -52.0 66.47 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.117 -0.989 . . . . 0.28 109.43 -179.81 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -51.09 -37.08 43.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.354 -0.841 . . . . 2.52 109.84 -179.966 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.76 -50.53 73.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 1.75 109.869 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' A' ' 344' ' ' LEU . 73.3 mt -60.83 -33.64 73.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.16 -0.962 . . . . 0.31 109.044 179.824 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.2 t-20 -58.86 -55.4 35.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.511 -0.743 . . . . 1.21 109.566 179.619 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.07 -27.93 69.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.419 -0.801 . . . . 1.69 110.092 -179.702 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.05 -56.05 25.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.185 -0.947 . . . . 0.27 110.273 -179.513 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.441 HD23 ' NZ ' ' B' ' 351' ' ' LYS . 44.6 mt -60.5 -42.11 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.945 . . . . 0.3 109.65 -179.436 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.04 -36.8 75.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.957 . . . . 1.93 109.518 179.927 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.78 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.72 -39.62 91.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.335 -0.853 . . . . 0.4 109.52 -179.959 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.441 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -61.58 -45.74 92.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.415 -0.803 . . . . 1.59 108.998 179.996 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -59.58 -33.91 72.04 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.719 . . . . 1.43 109.629 179.626 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -25.76 66.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.925 . . . . 0.65 109.506 -179.83 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.636 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.233 -0.917 . . . . 1.19 109.466 179.818 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.688 -0.486 . . . . 2.11 109.688 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -97.8 154.99 17.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.64 109.685 179.834 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.6 m-85 -140.68 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.333 -0.854 . . . . 0.49 109.395 179.833 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.507 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 60.7 p -152.61 160.44 43.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.98 . . . . 0.47 109.414 -179.773 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.05 134.27 18.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.42 109.478 -179.64 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.94 128.33 34.82 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.883 . . . . 1.81 109.318 179.886 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 341' ' ' PHE . 52.6 mt -123.83 111.85 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.42 109.617 -179.963 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 153.88 40.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 2.35 109.271 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.67 126.35 2.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.67 -1.372 . . . . 0.41 109.67 179.849 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.4 OUTLIER -72.87 -52.46 14.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -1.163 . . . . 2.59 109.746 -179.896 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.9 -47.51 82.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 2.54 109.756 -179.688 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 5.9 ttm180 -60.6 -40.67 92.64 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -0.907 . . . . 3.39 109.632 -179.861 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.5 t80 -54.84 -55.83 26.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.888 . . . . 0.47 109.819 -179.697 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -51.76 -37.03 49.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.383 -0.823 . . . . 1.66 110.094 -179.519 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.17 89.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.111 -0.993 . . . . 0.61 110.017 -179.394 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -52.12 66.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.208 -0.933 . . . . 0.33 109.445 -179.796 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.11 -37.04 43.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 3.28 109.834 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.77 -50.54 73.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.121 -0.987 . . . . 1.78 109.81 -179.506 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' D' ' 344' ' ' LEU . 73.1 mt -60.83 -33.64 73.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.155 -0.966 . . . . 0.38 108.991 179.926 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.3 t-20 -58.92 -55.28 37.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 1.2 109.504 179.682 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.12 -28.0 69.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.353 -0.842 . . . . 2.12 110.039 -179.658 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.09 -56.03 25.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.129 -0.982 . . . . 0.26 110.213 -179.452 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.454 HD23 ' NZ ' ' C' ' 351' ' ' LYS . 44.6 mt -60.65 -42.01 96.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.4 109.644 -179.365 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.03 -36.86 75.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.09 109.48 179.859 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.77 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -65.69 -39.66 91.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.75 109.43 -179.84 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -61.59 -45.68 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 2.19 109.083 179.986 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.532 -0.73 . . . . 1.34 109.638 179.581 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.85 66.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.72 109.4 -179.775 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.433 ' OE1' HD21 ' D' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 1.8 109.435 179.819 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.167 0.508 . . . . 1.67 109.682 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -97.77 155.14 17.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.61 109.724 179.791 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.0 m-85 -140.74 -171.77 3.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -0.824 . . . . 0.56 109.381 179.903 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 62.8 p -152.69 160.51 43.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.159 -0.963 . . . . 0.43 109.361 -179.821 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.4 tp -149.16 134.23 18.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.891 . . . . 0.35 109.491 -179.672 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 13.9 tt0 -85.86 128.19 34.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 1.37 109.317 179.936 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.81 111.64 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.48 109.625 -179.934 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 153.98 40.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 2.08 109.428 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.54 126.26 2.59 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.638 -1.385 . . . . 0.4 109.638 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.4 OUTLIER -72.67 -52.43 15.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.085 . . . . 2.64 109.792 -179.927 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.84 -47.82 81.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.22 109.69 -179.675 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.45 -40.65 91.94 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.349 -0.844 . . . . 2.74 109.613 -179.781 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -54.8 -55.81 26.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.37 -0.831 . . . . 0.43 109.875 -179.722 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.74 -37.1 49.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 1.69 110.074 -179.554 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.12 89.53 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.078 -1.013 . . . . 0.43 110.101 -179.399 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.24 -52.05 66.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.27 109.411 -179.807 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -51.22 -36.97 44.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 2.45 109.782 -179.839 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.74 -50.52 73.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 1.75 109.866 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' C' ' 344' ' ' LEU . 73.0 mt -60.92 -33.59 73.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.209 -0.932 . . . . 0.31 108.963 179.902 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.3 t-20 -58.97 -55.26 37.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.365 -0.834 . . . . 1.22 109.544 179.696 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.24 -27.85 69.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 1.73 109.995 -179.646 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.24 -55.96 26.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.921 . . . . 0.28 110.261 -179.478 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 44.7 mt -60.5 -42.08 95.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.31 109.701 -179.531 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.0 -36.81 75.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.254 -0.904 . . . . 1.91 109.553 179.848 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.767 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -65.71 -39.67 91.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.289 -0.882 . . . . 0.43 109.501 -179.883 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.58 -45.61 93.37 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.361 -0.837 . . . . 1.57 109.113 179.958 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -59.54 -34.01 72.11 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.459 -0.776 . . . . 1.44 109.596 179.58 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.82 66.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.392 -0.818 . . . . 0.64 109.405 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.76 ' OE1' HD21 ' C' ' 350' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.21 109.456 179.778 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.427 -0.583 . . . . 1.7 109.427 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 16.6 m-85 -94.19 148.14 22.48 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.237 -0.914 . . . . 0.61 109.582 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.9 m-85 -139.95 136.9 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.359 -0.838 . . . . 0.58 109.14 179.296 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.41 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 21.4 p -93.2 169.36 10.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.831 . . . . 0.42 109.39 179.943 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' C' ' 342' ' ' ARG . 30.9 tp -149.6 132.89 16.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.14 -0.975 . . . . 0.36 109.925 -179.871 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -86.32 121.96 29.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.462 -0.773 . . . . 1.37 109.026 179.401 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.9 109.66 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.47 109.833 -179.68 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.03 146.13 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 2.1 109.524 179.75 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.09 133.13 8.02 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.538 -1.425 . . . . 0.42 109.538 179.806 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.9 ttp180 -79.6 -55.55 4.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -1.156 . . . . 2.68 109.561 -179.923 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.69 -44.45 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 2.22 109.453 179.953 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.19 -43.64 95.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.403 -0.811 . . . . 2.77 109.573 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' C' ' 329' ' ' THR . 31.0 t80 -55.42 -55.49 31.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.43 109.489 -179.864 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -51.69 -37.8 52.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 1.66 110.045 -179.645 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.29 -46.01 88.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.44 109.935 -179.442 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -55.54 30.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.29 109.189 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.503 ' HG3' HD11 ' C' ' 330' ' ' LEU . 0.1 OUTLIER -50.62 -36.47 35.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.411 -0.806 . . . . 2.44 109.492 179.815 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.4 ' HG3' ' NZ ' ' B' ' 351' ' ' LYS . 1.5 tt0 -60.56 -46.46 90.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -0.865 . . . . 1.74 109.777 -179.761 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' B' ' 344' ' ' LEU . 21.7 mt -61.51 -41.15 96.87 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.267 -0.896 . . . . 0.3 109.422 -179.938 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.44 -47.29 84.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.338 -0.851 . . . . 1.22 109.634 179.754 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.03 -37.21 86.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.72 109.979 -179.609 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -49.46 77.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.27 110.01 -179.545 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.42 HD13 ' NE ' ' C' ' 337' ' ' ARG . 72.6 mt -61.7 -44.96 95.93 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.29 109.789 -179.649 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.44 -35.1 73.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 1.91 109.573 -179.991 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.1 -48.14 74.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.428 -0.795 . . . . 0.41 109.39 -179.802 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 31.7 ttmt -61.18 -35.55 77.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.34 -0.85 . . . . 1.56 109.158 179.89 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -57.02 -39.3 74.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.495 -0.753 . . . . 1.43 109.387 179.846 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.24 76.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.66 109.327 -179.891 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.571 179.911 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.441 -0.577 . . . . 1.61 109.441 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 16.8 m-85 -94.24 148.1 22.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.57 109.557 179.991 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -139.9 136.94 34.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.161 -0.962 . . . . 0.53 109.192 179.224 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -93.21 169.38 10.44 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.329 -0.857 . . . . 0.38 109.427 179.952 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' D' ' 342' ' ' ARG . 30.9 tp -149.69 132.84 16.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.36 109.9 -179.851 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.23 121.85 29.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.39 -0.819 . . . . 1.36 109.022 179.456 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.9 109.7 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.091 -1.005 . . . . 0.49 109.905 -179.733 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.04 146.07 44.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 2.1 109.455 179.903 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.07 133.12 8.01 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.593 -1.403 . . . . 0.44 109.593 179.856 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttp180 -79.56 -55.66 4.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.178 -1.189 . . . . 2.72 109.583 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.54 -44.38 89.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.21 109.53 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.3 -43.77 95.99 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.428 -0.795 . . . . 2.79 109.496 -179.887 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 31.4 t80 -55.26 -55.6 29.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.45 109.531 -179.9 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -51.65 -37.99 52.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.344 -0.847 . . . . 1.68 109.915 -179.661 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.13 -46.11 88.81 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.275 -0.891 . . . . 0.43 110.08 -179.529 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.17 -55.69 29.33 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.219 -0.926 . . . . 0.28 109.182 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 330' ' ' LEU . 0.1 OUTLIER -50.52 -36.46 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 2.52 109.646 179.816 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.6 -46.43 90.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.75 109.677 -179.666 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' A' ' 344' ' ' LEU . 21.6 mt -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.31 109.312 -179.858 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.48 -47.27 84.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.295 -0.878 . . . . 1.21 109.637 179.869 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.05 -37.14 85.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.275 -0.89 . . . . 1.69 110.003 -179.655 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.95 -49.41 77.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.178 -0.951 . . . . 0.27 110.082 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 73.1 mt -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.3 109.753 -179.697 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.48 -34.99 73.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.93 109.628 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.09 -48.04 75.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.846 . . . . 0.4 109.414 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.4 ' NZ ' ' HG3' ' A' ' 343' ' ' GLU . 31.7 ttmt -61.3 -35.61 77.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.347 -0.846 . . . . 1.59 109.043 179.865 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.29 74.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.459 -0.776 . . . . 1.43 109.521 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.25 76.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.65 109.442 179.929 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.554 ' NE2' HD11 ' A' ' 350' ' ' LEU . 12.1 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 1.19 109.569 179.868 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.444 -0.576 . . . . 2.11 109.444 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 16.7 m-85 -94.23 148.16 22.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.64 109.571 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.7 m-85 -140.0 136.71 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.976 . . . . 0.49 109.227 179.236 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.1 p -92.97 169.25 10.58 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.383 -0.823 . . . . 0.47 109.404 -179.988 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.503 HD11 ' HG3' ' A' ' 342' ' ' ARG . 30.7 tp -149.57 132.97 16.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.158 -0.964 . . . . 0.42 109.906 -179.918 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -86.34 121.85 29.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 1.81 108.965 179.563 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.91 109.77 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.42 109.818 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.02 146.1 44.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 2.35 109.49 179.825 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.02 133.05 7.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.0 ttp180 -79.67 -55.47 4.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -1.144 . . . . 2.59 109.531 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.62 -44.35 89.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 2.54 109.443 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.42 ' NE ' HD13 ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.47 -43.61 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 3.39 109.56 -179.867 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 329' ' ' THR . 31.1 t80 -55.32 -55.52 30.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.47 109.486 -179.893 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -51.64 -37.93 52.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.281 -0.887 . . . . 1.66 109.924 -179.708 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.26 -46.01 88.85 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.144 -0.972 . . . . 0.61 110.053 -179.477 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -55.77 28.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.33 109.143 179.985 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.458 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.48 -36.42 33.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 3.28 109.642 179.791 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.69 -46.37 90.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.99 . . . . 1.78 109.759 -179.736 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' D' ' 344' ' ' LEU . 21.4 mt -61.33 -41.42 97.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.857 . . . . 0.38 109.368 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.4 -47.23 84.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.35 -0.844 . . . . 1.2 109.658 179.93 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.97 -37.19 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.329 -0.857 . . . . 2.12 110.047 -179.755 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.0 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.305 -0.872 . . . . 0.26 110.051 -179.556 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.71 -45.02 95.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.4 109.745 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.49 -35.05 73.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 2.09 109.605 -179.952 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.97 -48.11 75.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.75 109.512 -179.952 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.7 ttmt -61.27 -35.57 77.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 2.19 109.069 179.885 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.03 -39.26 74.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.496 -0.753 . . . . 1.34 109.499 179.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.24 76.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.72 109.471 179.906 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.425 ' NE2' HD11 ' D' ' 350' ' ' LEU . 12.1 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 1.8 109.486 179.993 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.486 -0.561 . . . . 1.67 109.486 . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 16.5 m-85 -94.17 148.14 22.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.887 . . . . 0.61 109.572 179.995 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.9 m-85 -139.96 136.84 34.21 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.193 -0.942 . . . . 0.56 109.25 179.182 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.3 p -92.96 169.47 10.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.481 -0.762 . . . . 0.43 109.445 179.97 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' B' ' 342' ' ' ARG . 31.3 tp -149.77 132.85 16.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.064 -1.023 . . . . 0.35 109.892 -179.92 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.33 121.89 29.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.882 . . . . 1.37 108.962 179.552 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.6 mt -123.99 109.78 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.48 109.814 -179.723 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -74.06 146.14 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 2.08 109.458 179.871 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.04 133.07 7.99 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.622 -1.391 . . . . 0.4 109.622 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.0 ttp180 -79.64 -55.56 4.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.324 -1.103 . . . . 2.64 109.552 -179.919 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.52 -44.55 89.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 2.22 109.449 179.896 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.405 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.3 ttm180 -60.18 -43.71 95.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.376 -0.828 . . . . 2.74 109.574 -179.906 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' B' ' 329' ' ' THR . 31.0 t80 -55.35 -55.51 30.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.344 -0.848 . . . . 0.43 109.48 -179.874 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -51.7 -37.82 52.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.424 -0.798 . . . . 1.69 110.008 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.26 -46.04 88.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.225 -0.922 . . . . 0.43 109.946 -179.407 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -55.57 30.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.27 109.111 -179.897 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' B' ' 330' ' ' LEU . 0.1 OUTLIER -50.57 -36.45 34.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.536 -0.728 . . . . 2.45 109.615 179.852 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.58 -46.32 90.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.114 -0.991 . . . . 1.75 109.806 -179.804 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' C' ' 344' ' ' LEU . 22.1 mt -61.66 -41.11 97.07 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 0.31 109.364 -179.921 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.55 -47.17 85.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 1.22 109.622 179.845 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.18 -37.0 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 1.73 110.035 -179.627 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -49.36 77.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.868 . . . . 0.28 110.033 -179.654 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.7 -45.05 95.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.31 109.827 -179.718 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.4 -35.09 73.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 1.91 109.616 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.657 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -64.99 -48.15 75.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.855 . . . . 0.43 109.423 -179.868 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.7 ttmt -61.31 -35.46 77.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.434 -0.791 . . . . 1.57 109.1 179.851 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.33 74.52 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.593 -0.692 . . . . 1.44 109.458 179.788 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.24 76.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.64 109.38 179.984 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.21 109.489 -179.99 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.076 0.465 . . . . 1.7 109.784 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -100.6 151.46 21.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 0.61 109.396 179.546 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.64 -169.09 2.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.239 -0.913 . . . . 0.58 109.697 -179.699 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 36.8 p -153.25 160.74 42.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.42 109.325 -179.841 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 130.56 14.9 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.36 109.604 -179.796 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.71 132.5 33.85 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -0.876 . . . . 1.37 109.47 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 341' ' ' PHE . 44.7 mt -123.89 116.63 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.162 -0.961 . . . . 0.47 109.44 179.779 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -73.06 150.41 42.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1 109.598 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.58 7.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.648 -1.381 . . . . 0.42 109.648 179.808 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.6 ttm180 -79.5 -51.67 9.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -1.097 . . . . 2.68 109.499 179.945 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.32 90.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 2.22 109.826 -179.887 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.95 97.64 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.336 -0.852 . . . . 2.77 109.623 -179.874 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.4 t80 -55.51 -51.77 65.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.355 -0.841 . . . . 0.43 109.527 179.917 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.68 -39.45 61.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 1.66 110.006 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.39 -47.15 85.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.255 -0.903 . . . . 0.44 110.275 -179.25 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.659 ' HD2' HG21 ' A' ' 332' ' ' ILE . 23.2 m-85 -60.62 -53.08 61.82 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.157 -0.964 . . . . 0.29 109.435 -179.759 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.68 -38.75 48.53 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.308 -0.87 . . . . 2.44 109.505 179.804 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -61.33 -45.14 95.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.74 109.885 -179.734 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' B' ' 344' ' ' LEU . 43.0 mt -61.92 -44.56 96.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.3 109.593 -179.642 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.1 -44.89 87.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.305 -0.872 . . . . 1.22 109.667 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -37.63 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.72 109.729 -179.813 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -48.9 79.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.27 109.887 -179.774 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' C' ' 337' ' ' ARG . 66.1 mt -61.42 -44.69 96.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.29 109.942 -179.618 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.0 -35.92 78.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 1.91 109.86 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 18.2 tp -64.78 -43.15 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -0.826 . . . . 0.41 109.487 -179.806 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -63.08 -49.39 74.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 1.56 109.192 179.799 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.72 -33.97 68.99 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.585 -0.697 . . . . 1.43 109.662 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.55 77.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.66 109.643 -179.682 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.18 109.62 -179.818 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.176 0.512 . . . . 1.61 109.72 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -100.63 151.54 21.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.13 -0.981 . . . . 0.57 109.363 179.499 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.6 -169.13 2.54 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.261 -0.899 . . . . 0.53 109.794 -179.668 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.3 p -153.29 160.55 42.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.38 109.321 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.87 130.66 15.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.965 . . . . 0.36 109.676 -179.88 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.49 33.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.907 . . . . 1.36 109.476 -179.982 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.642 HG21 ' HD2' ' B' ' 341' ' ' PHE . 44.7 mt -123.87 116.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.49 109.448 179.895 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -72.92 150.44 42.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 2.1 109.556 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.67 7.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.647 -1.381 . . . . 0.44 109.647 179.818 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.7 ttm180 -79.56 -51.7 8.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 2.72 109.437 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.42 90.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.383 -0.823 . . . . 2.21 109.76 -179.831 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.821 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.3 tpp180 -62.11 -44.15 97.29 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.314 -0.866 . . . . 2.79 109.6 -179.799 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.2 t80 -55.38 -51.76 65.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.363 -0.835 . . . . 0.45 109.554 179.915 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.76 -39.4 62.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.448 -0.783 . . . . 1.68 110.008 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.43 -47.09 85.6 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.159 -0.963 . . . . 0.43 110.301 -179.245 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.99 62.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.978 . . . . 0.28 109.404 -179.716 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.76 -38.76 49.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 2.52 109.418 179.89 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -61.4 -44.94 96.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 1.75 109.912 -179.709 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' A' ' 344' ' ' LEU . 42.9 mt -61.98 -44.58 96.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.31 109.571 -179.708 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.9 t30 -58.13 -44.98 88.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 1.21 109.619 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.83 -37.49 86.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.334 -0.854 . . . . 1.69 109.79 -179.857 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.13 -48.98 79.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.27 109.806 -179.784 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.772 HD22 ' NH1' ' D' ' 337' ' ' ARG . 67.4 mt -61.42 -44.74 96.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.3 109.879 -179.518 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.06 -35.9 78.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 1.93 109.778 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.476 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 18.2 tp -64.68 -43.03 94.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.4 109.588 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.23 -49.31 74.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.391 -0.818 . . . . 1.59 109.171 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.8 -33.91 69.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.485 -0.76 . . . . 1.43 109.66 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.52 77.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.65 109.669 -179.717 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.329 -0.857 . . . . 1.19 109.623 -179.843 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.02 0.438 . . . . 2.11 109.837 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -100.58 151.54 21.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.64 109.295 179.552 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -138.64 -169.13 2.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.49 109.732 -179.743 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 36.7 p -153.32 160.68 42.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.47 109.253 -179.866 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -148.92 130.62 15.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.194 -0.942 . . . . 0.42 109.54 -179.749 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.58 33.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.294 -0.879 . . . . 1.81 109.519 179.923 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.65 HG21 ' HD2' ' C' ' 341' ' ' PHE . 44.7 mt -123.87 116.59 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.123 -0.986 . . . . 0.42 109.386 179.929 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.05 150.4 42.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.35 109.541 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.56 7.06 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.753 -1.339 . . . . 0.41 109.753 179.875 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.7 ttm180 -79.51 -51.68 9.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -1.132 . . . . 2.59 109.437 -179.986 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.35 90.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 2.54 109.808 -179.896 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.223 -0.923 . . . . 3.39 109.594 -179.758 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.6 t80 -55.51 -51.73 66.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.402 -0.811 . . . . 0.47 109.49 179.943 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.77 -39.43 62.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.318 -0.864 . . . . 1.66 109.931 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.34 -47.14 85.53 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.312 -0.867 . . . . 0.61 110.353 -179.295 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.65 ' HD2' HG21 ' C' ' 332' ' ' ILE . 23.2 m-85 -60.64 -53.11 61.37 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.236 -0.915 . . . . 0.33 109.405 -179.762 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -50.78 -38.6 49.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 3.28 109.486 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -61.42 -45.03 96.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.233 -0.917 . . . . 1.78 109.92 -179.757 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' D' ' 344' ' ' LEU . 43.0 mt -61.83 -44.72 96.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.38 109.572 -179.666 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -57.96 -45.02 87.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 1.2 109.626 179.962 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.96 -37.5 87.36 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.864 . . . . 2.12 109.721 -179.687 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -49.0 79.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.905 . . . . 0.26 109.857 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' A' ' 337' ' ' ARG . 66.7 mt -61.42 -44.86 96.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.358 -0.839 . . . . 0.4 109.895 -179.572 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.92 -35.98 78.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 2.09 109.784 -179.809 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 18.2 tp -64.69 -43.2 94.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.75 109.468 -179.792 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.08 -49.34 74.91 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.411 -0.805 . . . . 2.19 109.177 179.877 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -34.01 69.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.529 -0.732 . . . . 1.34 109.668 179.822 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.65 77.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.883 . . . . 0.72 109.713 -179.772 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.193 -0.942 . . . . 1.8 109.542 -179.766 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.714 -0.476 . . . . 1.67 109.714 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -100.59 151.59 21.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.172 -0.955 . . . . 0.61 109.388 179.454 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.0 m-85 -138.66 -169.19 2.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.56 109.764 -179.684 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.2 p -153.29 160.51 42.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 0.43 109.389 -179.897 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -148.83 130.63 15.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.35 109.552 -179.765 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -86.83 132.42 33.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 1.37 109.444 -179.97 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.648 HG21 ' HD2' ' D' ' 341' ' ' PHE . 44.0 mt -123.76 116.59 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.173 -0.955 . . . . 0.48 109.487 179.817 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.21 150.41 42.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.892 . . . . 2.08 109.537 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.85 138.54 7.11 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.709 -1.356 . . . . 0.4 109.709 179.932 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.6 ttm180 -79.52 -51.65 9.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.238 -1.154 . . . . 2.64 109.49 179.959 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -42.27 90.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.356 -0.84 . . . . 2.22 109.849 -179.861 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.772 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.4 tpp180 -62.2 -43.98 97.6 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.271 -0.893 . . . . 2.74 109.653 -179.921 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.4 t80 -55.48 -51.77 65.86 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.399 -0.813 . . . . 0.43 109.562 179.899 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.62 -39.46 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.69 110.088 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -62.47 -47.11 85.46 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.233 -0.917 . . . . 0.43 110.216 -179.215 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.648 ' HD2' HG21 ' D' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.94 62.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.176 -0.952 . . . . 0.27 109.415 -179.689 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.86 -38.67 50.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.296 -0.877 . . . . 2.45 109.543 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -61.25 -45.13 95.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.28 -0.887 . . . . 1.75 109.909 -179.84 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' C' ' 344' ' ' LEU . 43.1 mt -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.31 109.617 -179.679 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.14 -44.97 88.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.22 109.607 -179.994 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.87 -37.53 87.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.242 -0.911 . . . . 1.73 109.761 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.09 -48.96 79.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 0.28 109.813 -179.741 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.821 HD22 ' NH1' ' B' ' 337' ' ' ARG . 67.2 mt -61.47 -44.86 96.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.868 . . . . 0.31 109.858 -179.513 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.84 -35.92 77.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.051 -1.031 . . . . 1.91 109.836 -179.845 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 18.4 tp -64.67 -43.18 94.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.43 109.577 -179.867 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.4 ttmt -63.16 -49.4 74.46 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 1.57 109.152 179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.69 -33.98 68.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.498 -0.751 . . . . 1.44 109.639 179.865 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.49 77.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 0.64 109.717 -179.725 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.91 . . . . 1.21 109.653 -179.849 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.412 -0.588 . . . . 1.7 109.412 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.1 m-85 -94.45 158.8 15.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.61 109.704 -179.897 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 95.3 m-85 -138.48 -168.49 2.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.58 109.638 179.973 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.565 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.4 p -154.51 152.53 30.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.42 109.474 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -148.03 133.03 18.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.36 109.578 -179.79 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.0 tt0 -87.53 132.36 34.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.834 . . . . 1.37 109.741 -179.864 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.0 mt -123.98 115.38 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.47 109.349 179.65 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.3 148.78 41.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 2.1 109.557 179.933 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.48 133.93 8.21 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.752 -1.339 . . . . 0.42 109.752 179.73 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttt180 -70.5 -61.65 1.69 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -1.161 . . . . 2.68 109.465 179.839 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.72 -38.69 78.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.892 . . . . 2.22 109.55 -179.993 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.81 -48.64 77.51 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.318 -0.864 . . . . 2.77 109.93 -179.791 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.7 t80 -55.51 -57.86 10.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.893 . . . . 0.43 109.611 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -50.91 -35.43 33.0 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.22 -0.925 . . . . 1.66 109.956 -179.731 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.22 -51.32 66.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.066 -1.021 . . . . 0.44 110.437 -179.204 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.6 m-85 -61.46 -51.63 67.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.063 -1.023 . . . . 0.29 109.459 -179.767 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -50.99 -35.81 35.87 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.373 -0.829 . . . . 2.44 109.737 179.955 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.33 -50.51 73.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 1.74 109.688 -179.733 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 344' ' ' LEU . 95.2 mt -61.41 -34.2 74.98 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.213 -0.929 . . . . 0.3 109.0 179.927 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.502 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.7 -53.96 51.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 1.22 109.721 179.751 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.72 109.884 -179.488 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.36 -52.02 67.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.27 109.899 -179.521 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 41.2 mt -61.17 -43.23 99.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.326 -0.859 . . . . 0.29 109.713 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.14 -33.36 72.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 1.91 109.78 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.7 -47.69 77.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.41 109.514 -179.683 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.06 -46.63 89.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 1.56 109.011 179.78 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.06 63.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.642 -0.661 . . . . 1.43 109.48 179.496 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.8 81.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.66 109.74 -179.785 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' B' ' 350' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 1.18 109.589 -179.86 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.448 -0.575 . . . . 1.61 109.448 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.46 158.73 15.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.57 109.734 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 95.1 m-85 -138.32 -168.48 2.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.53 109.587 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.579 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.38 109.467 -179.978 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.2 tp -148.0 133.02 18.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 0.36 109.505 -179.807 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 2.0 tt0 -87.47 132.35 34.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 1.36 109.739 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.5 mt -123.95 115.42 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.288 -0.883 . . . . 0.49 109.38 179.613 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.27 148.64 41.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.563 179.961 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.56 133.98 8.24 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.731 -1.348 . . . . 0.44 109.731 179.663 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttt180 -70.62 -61.62 1.7 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -1.12 . . . . 2.72 109.391 179.936 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.77 -38.62 78.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.456 -0.778 . . . . 2.21 109.564 -179.945 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.95 -48.52 78.12 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.32 -0.862 . . . . 2.79 109.912 -179.77 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.57 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.32 -57.93 9.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.373 -0.83 . . . . 0.45 109.727 -179.842 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.04 -35.24 33.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 1.68 109.891 -179.615 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.36 -51.21 66.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.26 -0.9 . . . . 0.43 110.39 -179.154 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.68 ' HB2' HD13 ' B' ' 332' ' ' ILE . 33.0 m-85 -61.65 -51.54 68.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.146 -0.971 . . . . 0.28 109.4 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.85 -36.04 35.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.359 -0.838 . . . . 2.52 109.693 179.845 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.21 -50.42 73.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.129 -0.982 . . . . 1.75 109.782 -179.682 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 344' ' ' LEU . 95.2 mt -61.41 -34.26 75.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -0.917 . . . . 0.31 108.99 179.876 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.68 -53.91 52.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.21 109.825 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.26 -33.99 76.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.69 109.994 -179.617 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -52.11 66.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 0.27 109.874 -179.551 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.535 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 41.0 mt -61.16 -43.24 99.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.3 109.616 -179.668 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.25 -33.21 71.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 1.93 109.801 -179.97 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.82 -47.59 77.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.4 109.494 -179.648 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 23.4 ttmm -61.16 -46.52 90.17 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.774 . . . . 1.59 109.012 179.766 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.16 63.64 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.629 -0.669 . . . . 1.43 109.357 179.51 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.8 81.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.65 109.693 -179.656 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 1.19 109.687 -179.92 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.469 -0.567 . . . . 2.11 109.469 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.4 158.92 15.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.897 . . . . 0.64 109.693 -179.908 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 95.2 m-85 -138.59 -168.49 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.337 -0.852 . . . . 0.49 109.586 179.982 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.4 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.47 109.469 -179.879 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.2 tp -148.01 133.07 18.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.102 -0.999 . . . . 0.42 109.508 -179.815 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.0 tt0 -87.5 132.36 34.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.171 -0.956 . . . . 1.81 109.824 -179.948 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.3 mt -123.99 115.33 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 0.42 109.392 179.683 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.23 148.82 41.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 2.35 109.554 179.994 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.51 133.94 8.21 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.64 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttt180 -70.52 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -1.077 . . . . 2.59 109.469 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.85 -38.48 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 2.54 109.542 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.54 78.18 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.345 -0.847 . . . . 3.39 109.982 -179.847 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.0 t80 -55.46 -57.82 10.32 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.358 -0.838 . . . . 0.47 109.716 -179.81 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.1 -35.14 33.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 1.66 109.903 -179.694 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.44 -51.23 66.58 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.171 -0.956 . . . . 0.61 110.319 -179.178 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.662 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.1 m-85 -61.74 -51.39 68.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.085 -1.009 . . . . 0.33 109.459 -179.628 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.03 -35.9 36.73 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.419 -0.801 . . . . 3.28 109.723 179.811 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.14 -50.57 73.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.114 -0.991 . . . . 1.78 109.738 -179.776 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.39 -34.33 75.17 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.91 . . . . 0.38 108.989 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.58 -53.97 51.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 1.2 109.83 179.738 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.25 -33.95 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.89 . . . . 2.12 109.985 -179.578 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.26 -52.12 66.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.945 . . . . 0.26 109.955 -179.647 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.571 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 40.8 mt -61.2 -43.23 99.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.4 109.612 -179.677 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.17 -33.27 71.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 2.09 109.82 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.75 -47.58 77.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.75 109.537 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.23 -46.54 89.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.338 -0.851 . . . . 2.19 108.936 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -30.02 63.59 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.54 -0.725 . . . . 1.34 109.486 179.461 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.76 81.72 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.329 -0.857 . . . . 0.72 109.651 -179.697 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' D' ' 350' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.8 109.709 -179.93 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.502 -0.555 . . . . 1.67 109.502 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.3 m-85 -94.59 158.82 15.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.61 109.645 -179.848 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.1 m-85 -138.52 -168.51 2.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 0.56 109.59 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.57 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -154.48 152.54 30.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 0.43 109.446 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.2 tp -148.06 133.0 18.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.35 109.541 -179.811 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 2.1 tt0 -87.44 132.3 34.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 1.37 109.871 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.0 mt -123.93 115.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.48 109.378 179.581 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.42 148.7 40.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 2.08 109.521 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.6 133.8 8.17 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.722 -1.351 . . . . 0.4 109.722 179.628 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.6 ttt180 -70.35 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.144 . . . . 2.64 109.503 179.818 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.8 -38.54 78.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.443 -0.786 . . . . 2.22 109.579 -179.967 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -48.49 78.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.315 -0.866 . . . . 2.74 109.933 -179.787 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.7 t80 -55.5 -57.92 9.9 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.386 -0.821 . . . . 0.43 109.625 -179.797 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.01 -35.24 33.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.69 109.859 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.43 -51.25 66.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 0.43 110.275 -179.095 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.5 m-85 -61.56 -51.57 68.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.112 -0.992 . . . . 0.27 109.403 -179.642 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.0 -35.91 36.47 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.428 -0.795 . . . . 2.45 109.675 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.26 -50.42 73.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 1.75 109.734 -179.705 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 344' ' ' LEU . 95.3 mt -61.44 -34.24 75.07 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.25 -0.906 . . . . 0.31 108.988 179.923 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.472 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.76 -53.94 52.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.793 . . . . 1.22 109.751 179.776 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.18 -34.11 76.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 1.73 109.942 -179.594 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -52.21 66.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.28 109.927 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.504 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 41.1 mt -61.17 -43.35 99.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.289 -0.882 . . . . 0.31 109.612 -179.61 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.2 -33.19 71.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.28 -0.887 . . . . 1.91 109.816 179.996 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.72 -47.69 77.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.302 -0.874 . . . . 0.43 109.492 -179.74 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.17 -46.57 89.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.873 . . . . 1.57 108.944 179.828 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -30.08 63.52 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.682 -0.636 . . . . 1.44 109.466 179.54 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.83 82.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 0.64 109.729 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.124 -0.985 . . . . 1.21 109.716 -179.957 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.31 0.576 . . . . 1.7 109.649 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -94.85 155.98 16.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.237 -0.914 . . . . 0.61 109.068 179.387 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -138.54 -168.82 2.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 0.58 109.791 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.6 p -155.12 158.22 38.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.403 -0.811 . . . . 0.42 109.358 -179.903 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.9 tp -147.95 128.83 14.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.36 109.427 -179.96 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -86.84 129.43 34.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 1.37 109.61 -179.827 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 341' ' ' PHE . 43.0 mt -123.91 119.07 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.927 . . . . 0.47 109.468 179.672 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.4 149.75 42.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 2.1 109.51 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.59 5.98 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.716 -1.354 . . . . 0.42 109.716 179.889 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 tpt180 -80.16 -51.66 8.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -1.152 . . . . 2.68 109.572 179.937 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.251 -0.906 . . . . 2.22 109.697 -179.698 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.663 HH12 HD22 ' C' ' 348' ' ' LEU . 9.0 tpp180 -63.32 -44.76 94.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.263 -0.898 . . . . 2.77 109.589 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.9 t80 -53.59 -49.98 66.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.358 -0.839 . . . . 0.43 109.455 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 20.6 mt-10 -52.57 -39.86 61.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.827 . . . . 1.66 109.833 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.21 -45.48 93.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.296 -0.877 . . . . 0.44 110.176 -179.257 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 332' ' ' ILE . 29.0 m-85 -61.44 -53.38 57.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.161 -0.962 . . . . 0.29 109.282 -179.837 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.67 -39.04 49.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.44 109.82 179.924 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.85 -44.88 96.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.158 -0.964 . . . . 1.74 109.873 -179.682 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 344' ' ' LEU . 92.8 mt -62.01 -44.83 95.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.3 109.571 -179.738 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.413 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.08 -43.73 87.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 1.22 109.723 179.996 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -38.9 93.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.897 . . . . 1.72 109.94 -179.697 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.51 -49.54 77.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.27 109.976 -179.684 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.707 HD22 HH12 ' C' ' 337' ' ' ARG . 43.8 mt -61.52 -43.74 98.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.29 109.663 -179.758 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 -36.27 76.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.91 109.675 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.57 -45.7 85.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.41 109.7 -179.909 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.36 -41.51 97.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.263 -0.898 . . . . 1.56 109.076 -179.941 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.2 -32.42 66.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.566 -0.709 . . . . 1.43 109.697 179.682 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.8 88.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.9 . . . . 0.66 109.813 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.18 109.629 -179.786 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.278 0.561 . . . . 1.61 109.614 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.42 ' HB3' ' OE1' ' D' ' 331' ' ' GLN . 44.9 m-85 -94.82 155.91 16.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.57 109.089 179.42 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.8 m-85 -138.49 -168.89 2.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.159 -0.963 . . . . 0.53 109.752 -179.824 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 16.3 p -154.93 158.28 39.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.297 -0.877 . . . . 0.38 109.317 -179.869 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.8 tp -147.9 128.8 14.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.16 -0.963 . . . . 0.36 109.482 179.985 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.4 34.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 1.36 109.694 -179.907 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' B' ' 341' ' ' PHE . 43.3 mt -123.95 119.11 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.49 109.4 179.749 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.45 149.79 42.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.193 -0.942 . . . . 2.1 109.463 -179.973 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.7 6.02 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.701 -1.36 . . . . 0.44 109.701 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 tpt180 -80.33 -51.53 8.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -1.164 . . . . 2.72 109.575 179.962 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.21 109.71 -179.773 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.711 HH12 HD22 ' D' ' 348' ' ' LEU . 9.0 tpp180 -63.31 -44.77 94.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.303 -0.873 . . . . 2.79 109.594 179.956 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 59.2 t80 -53.71 -49.95 66.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.838 . . . . 0.45 109.415 -179.905 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 20.6 mt-10 -52.61 -39.73 61.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 1.68 109.858 -179.979 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.28 -45.45 93.21 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.246 -0.909 . . . . 0.43 110.195 -179.341 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.53 ' CG ' HD13 ' B' ' 332' ' ' ILE . 28.9 m-85 -61.45 -53.3 58.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.179 -0.951 . . . . 0.28 109.383 -179.896 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.76 -38.98 51.05 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.315 -0.865 . . . . 2.52 109.734 179.932 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.92 -44.89 96.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.119 -0.988 . . . . 1.75 109.817 -179.624 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 344' ' ' LEU . 92.9 mt -61.97 -44.85 95.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.31 109.645 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.427 ' HB2' HD21 ' D' ' 330' ' ' LEU . 38.6 t30 -58.19 -43.5 87.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.21 109.735 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.27 -38.95 93.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.401 -0.812 . . . . 1.69 109.848 -179.718 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -0.873 . . . . 0.27 109.948 -179.677 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.651 HD22 HH12 ' D' ' 337' ' ' ARG . 44.9 mt -61.51 -43.82 98.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.326 -0.859 . . . . 0.3 109.56 -179.689 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -59.82 -36.27 76.45 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.291 -0.881 . . . . 1.93 109.728 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 8.7 tp -64.64 -45.75 85.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.4 109.625 -179.912 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -41.61 97.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.887 . . . . 1.59 109.083 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.25 -32.34 66.46 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 1.43 109.639 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.72 88.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.65 109.724 -179.621 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.191 -0.943 . . . . 1.19 109.643 -179.893 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.361 0.601 . . . . 2.11 109.705 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.9 155.9 16.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.64 109.061 179.436 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.0 m-85 -138.46 -168.85 2.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.95 . . . . 0.49 109.794 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.5 p -155.08 158.15 38.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.47 109.367 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.9 tp -147.8 128.87 14.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.239 -0.913 . . . . 0.42 109.493 -179.975 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -86.85 129.37 34.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 1.81 109.662 -179.859 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.535 HD13 ' CG ' ' C' ' 341' ' ' PHE . 43.5 mt -123.95 119.19 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 0.42 109.344 179.72 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.48 149.72 42.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 2.35 109.55 179.995 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.12 135.64 6.05 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.692 -1.363 . . . . 0.41 109.692 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 tpt180 -80.26 -51.64 8.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 2.59 109.531 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.5 -44.7 85.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 2.54 109.638 -179.705 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.707 HH12 HD22 ' A' ' 348' ' ' LEU . 9.0 tpp180 -63.14 -44.84 94.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.349 -0.844 . . . . 3.39 109.683 179.941 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -53.67 -49.9 66.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.47 109.404 -179.936 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 20.7 mt-10 -52.6 -39.85 62.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 1.66 109.897 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.17 -45.47 93.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.289 -0.882 . . . . 0.61 110.245 -179.294 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.535 ' CG ' HD13 ' C' ' 332' ' ' ILE . 29.1 m-85 -61.35 -53.43 56.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.155 -0.966 . . . . 0.33 109.272 -179.89 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.78 -38.94 51.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 3.28 109.767 -179.952 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.85 -44.9 96.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 1.78 109.879 -179.687 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.04 -44.84 95.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.38 109.541 -179.717 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.4 t30 -58.09 -43.68 87.2 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.255 -0.903 . . . . 1.2 109.697 -179.983 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.15 -39.02 93.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.28 -0.887 . . . . 2.12 109.901 -179.665 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.35 -49.64 76.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.26 109.973 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.663 HD22 HH12 ' A' ' 337' ' ' ARG . 44.4 mt -61.52 -43.85 98.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.872 . . . . 0.4 109.567 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.73 -36.32 76.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 2.09 109.698 -179.941 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.466 HD21 ' NE2' ' D' ' 354' ' ' GLN . 8.8 tp -64.74 -45.61 85.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.75 109.645 -179.785 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 351' ' ' LYS . 0.6 OUTLIER -61.25 -41.6 97.17 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.35 -0.844 . . . . 2.19 109.122 179.932 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.21 -32.35 66.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.611 -0.681 . . . . 1.34 109.665 179.703 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.8 88.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.72 109.786 -179.678 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.8 109.629 -179.849 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.273 0.559 . . . . 1.67 109.702 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -94.89 155.97 16.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 0.61 109.104 179.48 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.3 m-85 -138.49 -168.95 2.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.56 109.802 -179.718 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 16.4 p -154.97 158.33 39.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 0.43 109.336 179.987 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.9 tp -147.89 128.77 14.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.35 109.438 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.42 34.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 1.37 109.601 -179.885 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.533 HD13 ' CG ' ' D' ' 341' ' ' PHE . 43.7 mt -123.97 119.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.897 . . . . 0.48 109.32 179.694 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.56 149.75 41.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 2.08 109.52 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.09 135.63 6.03 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.688 -1.365 . . . . 0.4 109.688 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 tpt180 -80.27 -51.62 8.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -1.17 . . . . 2.64 109.511 179.953 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.51 -44.59 85.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.22 109.669 -179.676 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.651 HH12 HD22 ' B' ' 348' ' ' LEU . 9.0 tpp180 -63.36 -44.77 93.86 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.282 -0.886 . . . . 2.74 109.597 179.979 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' B' ' 329' ' ' THR . 59.2 t80 -53.64 -49.93 66.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.381 -0.824 . . . . 0.43 109.411 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 20.7 mt-10 -52.73 -39.74 62.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.269 -0.894 . . . . 1.69 109.854 -179.877 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.15 -45.46 93.33 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.204 -0.935 . . . . 0.43 110.242 -179.395 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.552 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 28.7 m-85 -61.51 -53.23 59.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.27 109.317 -179.881 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.85 -38.96 52.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.476 -0.765 . . . . 2.45 109.725 179.985 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.89 -44.79 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.18 -0.95 . . . . 1.75 109.956 -179.686 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.05 -44.85 95.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.171 -0.956 . . . . 0.31 109.527 -179.808 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' B' ' 330' ' ' LEU . 38.7 t30 -58.25 -43.58 87.9 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.276 -0.89 . . . . 1.22 109.649 -179.862 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -39.01 93.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 1.73 109.91 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.47 -49.62 76.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.28 109.899 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.711 HD22 HH12 ' B' ' 337' ' ' ARG . 43.9 mt -61.45 -43.74 98.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.31 109.612 -179.706 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.95 -36.24 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 1.91 109.582 -179.856 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.63 -45.67 85.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.43 109.722 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 1.57 109.096 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.21 -32.39 66.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.478 -0.764 . . . . 1.44 109.632 179.71 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.865 . . . . 0.64 109.845 -179.685 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.466 ' NE2' HD21 ' C' ' 350' ' ' LEU . 10.5 mt-30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 1.21 109.608 -179.845 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.232 0.539 . . . . 1.7 109.566 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -93.79 156.61 16.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 0.61 109.379 179.921 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -139.47 -172.79 3.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.58 109.463 179.802 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 2.4 p -153.22 160.99 42.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.21 -0.931 . . . . 0.42 109.476 -179.84 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.9 tp -147.75 126.82 12.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 0.36 109.507 -179.826 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.8 126.84 34.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.37 109.427 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 341' ' ' PHE . 42.8 mt -123.82 117.84 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 0.47 109.663 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.43 151.08 39.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 2.1 109.513 179.858 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.32 133.23 7.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.833 -1.307 . . . . 0.42 109.833 179.764 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.5 ttp180 -75.89 -60.09 2.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.08 . . . . 2.68 109.491 179.858 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 24.2 pt-20 -59.01 -40.81 86.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 2.22 109.671 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.23 -47.95 83.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.291 -0.881 . . . . 2.77 109.543 -179.916 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' C' ' 329' ' ' THR . 48.8 t80 -55.49 -47.82 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.413 -0.804 . . . . 0.43 109.595 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.39 -37.01 46.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.332 -0.855 . . . . 1.66 109.976 -179.761 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -62.62 -46.99 85.69 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 0.44 109.907 -179.4 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 27.1 m-85 -61.22 -51.91 67.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.29 109.328 -179.974 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.53 -38.69 46.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.541 -0.725 . . . . 2.44 109.774 179.933 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.61 -49.85 75.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.034 -1.041 . . . . 1.74 109.736 -179.754 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.54 -33.52 73.97 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.169 -0.957 . . . . 0.3 108.948 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.825 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.6 t-20 -59.34 -53.63 56.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 1.22 109.632 179.815 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.428 ' HB3' ' HE3' ' B' ' 351' ' ' LYS . 0.9 OUTLIER -62.59 -34.29 76.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.432 -0.793 . . . . 1.72 109.892 -179.565 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -48.82 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 0.27 110.075 -179.625 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 51.0 mt -61.61 -43.06 99.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -0.914 . . . . 0.29 109.793 -179.536 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -59.86 -37.73 80.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.91 109.827 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.458 HD21 ' NE2' ' B' ' 354' ' ' GLN . 9.1 tp -64.08 -44.93 90.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.41 109.775 -179.729 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -61.98 -40.31 95.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.371 -0.831 . . . . 1.56 109.182 -179.959 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.43 -33.18 65.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.587 -0.696 . . . . 1.43 109.633 179.885 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.73 64.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.66 109.544 -179.956 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' B' ' 350' ' ' LEU . 24.5 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 1.18 109.635 179.983 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.272 0.558 . . . . 1.61 109.618 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.66 156.72 16.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.293 -0.879 . . . . 0.57 109.404 179.922 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.4 m-85 -139.66 -172.83 3.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.53 109.359 179.928 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 2.4 p -153.24 160.98 42.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.38 109.502 -179.739 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.8 tp -147.82 126.83 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 0.36 109.503 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 26.4 tt0 -86.81 126.91 34.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.312 -0.867 . . . . 1.36 109.405 179.952 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.532 HD13 ' CG ' ' B' ' 341' ' ' PHE . 42.6 mt -123.83 117.8 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.165 -0.959 . . . . 0.49 109.626 -179.984 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -74.42 151.12 39.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 2.1 109.457 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.28 133.14 7.19 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.774 -1.33 . . . . 0.44 109.774 179.666 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 38.6 ttp180 -75.86 -60.08 2.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -1.15 . . . . 2.72 109.501 179.899 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 24.1 pt-20 -58.98 -40.75 85.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.357 -0.84 . . . . 2.21 109.614 179.968 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -47.95 83.85 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.364 -0.835 . . . . 2.79 109.53 -179.86 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.1 t80 -55.36 -47.89 75.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.421 -0.799 . . . . 0.45 109.662 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.35 -37.03 45.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.36 -0.837 . . . . 1.68 110.008 -179.772 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.63 -46.91 86.06 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.177 -0.952 . . . . 0.43 109.934 -179.392 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.91 66.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.28 109.326 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.59 -38.64 46.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -0.809 . . . . 2.52 109.786 179.967 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.65 -49.79 76.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 1.75 109.806 -179.844 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.51 -33.55 74.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.19 -0.943 . . . . 0.31 108.979 179.762 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.784 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.5 t-20 -59.39 -53.58 56.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.579 -0.7 . . . . 1.21 109.627 179.782 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -34.23 76.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 1.69 109.878 -179.54 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -48.88 79.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.188 -0.945 . . . . 0.27 110.052 -179.639 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 50.6 mt -61.51 -43.23 99.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 0.3 109.746 -179.534 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.81 -37.78 80.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 1.93 109.828 -179.836 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 354' ' ' GLN . 9.0 tp -64.05 -44.97 90.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 0.4 109.809 -179.787 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 346' ' ' GLU . 13.6 ttmm -61.89 -40.39 95.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.59 109.181 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.38 -33.2 65.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.399 -0.813 . . . . 1.43 109.575 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.78 64.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.65 109.437 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD21 ' A' ' 350' ' ' LEU . 24.3 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.318 -0.864 . . . . 1.19 109.675 -179.909 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 N--CA 1.489 1.519 0 CA-C-O 121.238 0.542 . . . . 2.11 109.552 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -93.8 156.7 16.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.64 109.366 179.903 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.1 m-85 -139.58 -172.85 3.46 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.179 -0.951 . . . . 0.49 109.415 179.938 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 2.4 p -153.29 160.92 42.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 0.47 109.481 -179.832 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.8 tp -147.71 126.81 12.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.42 109.514 -179.847 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.7 126.73 34.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.856 . . . . 1.81 109.503 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.531 HD13 ' CG ' ' C' ' 341' ' ' PHE . 42.1 mt -123.71 117.92 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.42 109.693 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.48 151.08 39.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.374 -0.828 . . . . 2.35 109.531 179.856 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.38 133.24 7.26 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.825 -1.31 . . . . 0.41 109.825 179.723 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.5 ttp180 -75.94 -60.03 2.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -1.103 . . . . 2.59 109.511 179.856 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 24.1 pt-20 -59.09 -40.68 86.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 2.54 109.655 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.35 -47.94 83.91 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.247 -0.908 . . . . 3.39 109.465 -179.89 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.0 t80 -55.46 -47.83 75.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.47 109.601 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.39 -37.04 46.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.85 . . . . 1.66 109.996 -179.762 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.67 -46.78 86.58 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.17 -0.956 . . . . 0.61 110.014 -179.38 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 27.4 m-85 -61.35 -51.8 67.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.205 -0.934 . . . . 0.33 109.378 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.63 -38.54 46.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.437 -0.789 . . . . 3.28 109.742 179.951 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.8 -49.83 76.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 1.78 109.677 -179.728 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.49 -33.57 74.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.977 . . . . 0.38 108.93 179.827 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.792 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.6 t-20 -59.21 -53.7 55.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.404 -0.81 . . . . 1.2 109.738 179.678 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -34.24 76.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.465 -0.772 . . . . 2.12 109.873 -179.539 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.94 -48.89 79.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.26 110.063 -179.612 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 51.3 mt -61.48 -43.25 99.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.903 . . . . 0.4 109.785 -179.594 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.82 -37.67 79.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 2.09 109.81 -179.814 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.544 HD21 ' NE2' ' D' ' 354' ' ' GLN . 9.0 tp -64.16 -44.98 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.75 109.725 -179.737 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 13.6 ttmm -61.8 -40.48 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.385 -0.822 . . . . 2.19 109.241 179.978 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.29 -33.25 65.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.393 -0.817 . . . . 1.34 109.68 179.809 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.72 109.477 -179.907 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.368 -0.832 . . . . 1.8 109.697 -179.972 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.281 0.562 . . . . 1.67 109.525 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -93.8 156.63 16.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.61 109.423 179.916 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.53 -172.8 3.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.897 . . . . 0.56 109.346 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 2.5 p -153.29 160.97 42.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.43 109.428 -179.75 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.9 tp -147.8 126.75 12.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 0.35 109.533 -179.871 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.78 126.85 34.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.37 109.395 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' D' ' 341' ' ' PHE . 42.9 mt -123.75 117.77 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.133 -0.979 . . . . 0.48 109.684 179.935 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.36 151.05 39.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.42 -0.8 . . . . 2.08 109.547 179.805 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.45 133.27 7.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.695 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.7 ttp180 -75.94 -60.11 2.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -1.15 . . . . 2.64 109.479 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 24.1 pt-20 -59.07 -40.73 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 2.22 109.602 -179.925 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.31 -48.04 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.283 -0.885 . . . . 2.74 109.456 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.31 -47.91 74.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -0.828 . . . . 0.43 109.634 179.97 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.34 -37.09 46.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.858 . . . . 1.69 110.04 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.49 -47.03 85.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.14 -0.975 . . . . 0.43 109.997 -179.467 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.9 67.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.27 109.333 -179.956 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.5 -38.63 45.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.523 -0.736 . . . . 2.45 109.757 179.94 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.77 -49.78 76.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.75 109.723 -179.692 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.39 -33.61 73.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.956 . . . . 0.31 108.976 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.804 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.6 t-20 -59.35 -53.6 56.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.391 -0.818 . . . . 1.22 109.712 179.793 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.443 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 0.9 OUTLIER -62.53 -34.39 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.835 . . . . 1.73 109.942 -179.612 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.88 -48.9 79.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.265 -0.897 . . . . 0.28 110.056 -179.593 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 50.5 mt -61.45 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.31 109.785 -179.604 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.82 -37.66 79.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 1.91 109.82 -179.85 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' C' ' 351' ' ' LYS . 9.1 tp -64.17 -44.98 90.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.43 109.76 -179.759 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -61.86 -40.42 95.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 1.57 109.214 179.987 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.26 -33.28 65.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.521 -0.737 . . . . 1.44 109.694 179.777 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.85 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.64 109.512 -179.952 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.544 ' NE2' HD21 ' C' ' 350' ' ' LEU . 24.5 mt-30 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.21 109.748 -179.949 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.389 0.614 . . . . 1.7 109.421 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.02 152.91 19.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 0.61 109.488 -179.893 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.4 m-85 -137.69 -168.44 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.918 . . . . 0.58 109.493 -179.964 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.5 p -153.36 158.94 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.939 . . . . 0.42 109.464 -179.919 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' C' ' 345' ' ' ASN . 16.1 tp -148.06 131.43 16.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.36 109.389 -179.752 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 22.9 tt0 -86.26 131.24 34.27 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.178 -0.951 . . . . 1.37 109.504 -179.943 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.5 mt -123.76 118.76 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.129 -0.982 . . . . 0.47 109.342 179.728 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.94 147.94 44.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.92 . . . . 2.1 109.467 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.55 138.27 9.58 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.67 -1.372 . . . . 0.42 109.67 179.956 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.7 ttt180 -82.83 -59.22 2.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 2.68 109.61 179.907 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.4 82.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.282 -0.886 . . . . 2.22 109.481 179.894 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.9 tpp180 -62.31 -44.59 96.16 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.356 -0.84 . . . . 2.77 109.243 179.82 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.9 t80 -55.27 -48.69 73.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.327 -0.858 . . . . 0.43 109.502 -179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.55 -38.1 52.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.66 109.97 -179.593 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.64 87.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.209 -0.932 . . . . 0.44 110.063 -179.173 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 20.4 m-85 -60.86 -48.17 83.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 0.29 109.278 179.885 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.88 -43.38 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.434 -0.791 . . . . 2.44 109.662 179.879 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.28 -40.74 91.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.9 . . . . 1.74 110.044 -179.467 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 38.2 mt -62.99 -45.56 91.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.3 109.542 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' C' ' 330' ' ' LEU . 58.4 t30 -58.31 -46.38 86.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.276 -0.89 . . . . 1.22 109.838 -179.853 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -37.21 84.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.72 109.876 -179.673 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.29 -49.72 76.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.27 110.006 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.846 HD22 HH12 ' C' ' 337' ' ' ARG . 56.4 mt -61.08 -44.12 97.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.29 109.751 -179.571 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.02 -37.43 76.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 1.91 109.642 -179.971 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.784 HD11 HE21 ' B' ' 354' ' ' GLN . 11.7 tp -64.65 -40.44 95.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.315 -0.866 . . . . 0.41 109.651 -179.916 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -46.99 85.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.374 -0.829 . . . . 1.56 109.448 -179.897 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.45 -32.83 65.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.489 -0.757 . . . . 1.43 110.029 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.11 84.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.66 109.708 -179.526 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.793 HE21 HD11 ' B' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 1.18 109.847 -179.809 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.488 -0.56 . . . . 1.61 109.488 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -93.1 153.02 18.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.57 109.506 -179.902 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -137.7 -168.38 2.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.53 109.484 -179.968 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.3 p -153.44 158.9 42.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.263 -0.898 . . . . 0.38 109.459 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' D' ' 345' ' ' ASN . 16.0 tp -147.97 131.54 16.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.36 109.351 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 22.9 tt0 -86.35 131.17 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.327 -0.858 . . . . 1.36 109.517 -179.989 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.8 mt -123.77 118.88 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.49 109.269 179.737 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.98 147.94 44.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.253 -0.904 . . . . 2.1 109.484 179.9 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.57 138.14 9.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.621 -1.392 . . . . 0.44 109.621 179.988 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.8 ttt180 -82.77 -59.18 2.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.188 -1.184 . . . . 2.72 109.525 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.27 -39.16 82.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.374 -0.829 . . . . 2.21 109.435 179.989 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.87 HH12 HD22 ' D' ' 348' ' ' LEU . 6.8 tpp180 -62.51 -44.49 96.24 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.376 -0.828 . . . . 2.79 109.19 179.835 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.7 t80 -55.29 -48.77 73.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 0.45 109.473 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.14 52.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.828 . . . . 1.68 110.045 -179.648 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.66 87.56 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.212 -0.93 . . . . 0.43 110.092 -179.207 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.2 m-85 -60.87 -48.17 83.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.28 109.245 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.86 -43.32 59.39 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.411 -0.806 . . . . 2.52 109.736 179.874 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.35 -40.83 92.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 1.75 109.964 -179.477 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 38.3 mt -62.93 -45.5 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.31 109.601 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.501 ' HB2' HD21 ' D' ' 330' ' ' LEU . 58.6 t30 -58.38 -46.53 86.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.274 -0.891 . . . . 1.21 109.729 -179.878 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.19 84.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 1.69 109.876 -179.624 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.27 110.002 -179.646 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.899 HD22 HH12 ' D' ' 337' ' ' ARG . 57.3 mt -61.05 -44.21 97.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.3 109.78 -179.608 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -59.03 -37.33 76.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.88 . . . . 1.93 109.609 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.793 HD11 HE21 ' A' ' 354' ' ' GLN . 11.7 tp -64.72 -40.45 95.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.233 -0.917 . . . . 0.4 109.577 -179.875 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.85 -46.93 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.414 -0.803 . . . . 1.59 109.439 -179.905 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.53 -32.78 65.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.488 -0.757 . . . . 1.43 110.045 -179.784 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.23 84.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 0.65 109.699 -179.629 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.784 HE21 HD11 ' A' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.19 109.887 -179.778 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.426 -0.583 . . . . 2.11 109.426 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.16 152.92 18.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.64 109.45 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -137.73 -168.48 2.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.278 -0.889 . . . . 0.49 109.433 -179.923 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.457 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.5 p -153.28 158.98 42.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.47 109.427 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 345' ' ' ASN . 16.1 tp -148.04 131.34 16.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.42 109.359 -179.763 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 22.9 tt0 -86.24 131.19 34.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 1.81 109.537 179.976 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.508 HD12 ' CD1' ' C' ' 338' ' ' PHE . 35.2 mt -123.63 118.73 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.42 109.342 179.759 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.93 147.94 44.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.325 -0.86 . . . . 2.35 109.459 179.995 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.54 138.22 9.56 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.8 ttt180 -82.82 -59.16 2.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -1.133 . . . . 2.59 109.62 179.951 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.11 -39.51 82.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.372 -0.83 . . . . 2.54 109.407 179.925 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.846 HH12 HD22 ' A' ' 348' ' ' LEU . 6.9 tpp180 -62.2 -44.58 96.25 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.335 -0.853 . . . . 3.39 109.267 179.823 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.508 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.37 -48.63 73.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.311 -0.868 . . . . 0.47 109.517 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.61 -38.11 53.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.333 -0.854 . . . . 1.66 109.903 -179.59 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.4 -46.68 87.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.23 -0.919 . . . . 0.61 110.074 -179.183 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -60.81 -48.23 82.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.12 -0.988 . . . . 0.33 109.296 179.888 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.91 -43.19 59.87 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.49 -0.756 . . . . 3.28 109.757 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.47 -40.74 92.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 1.78 109.971 -179.527 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' D' ' 344' ' ' LEU . 38.0 mt -62.94 -45.57 91.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.039 -1.038 . . . . 0.38 109.576 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.508 ' HB2' HD21 ' A' ' 330' ' ' LEU . 58.5 t30 -58.25 -46.52 85.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.2 109.833 -179.92 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.01 -37.27 84.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.269 -0.895 . . . . 2.12 109.866 -179.641 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.7 76.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.871 . . . . 0.26 109.925 -179.564 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 56.5 mt -61.08 -44.17 97.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.4 109.689 -179.516 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -59.0 -37.45 76.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 2.09 109.636 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.621 HD11 HE21 ' D' ' 354' ' ' GLN . 11.7 tp -64.61 -40.53 95.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 0.75 109.59 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -46.85 86.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.19 109.485 -179.931 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.604 -0.685 . . . . 1.34 110.087 -179.785 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.07 83.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.895 . . . . 0.72 109.742 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.761 HE21 HD11 ' D' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 1.8 109.875 -179.884 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.472 -0.566 . . . . 1.67 109.472 . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -93.05 152.92 19.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.87 . . . . 0.61 109.5 -179.96 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.7 m-85 -137.63 -168.37 2.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 0.56 109.458 -179.95 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -153.45 158.76 41.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.43 109.454 -179.851 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' B' ' 345' ' ' ASN . 16.1 tp -147.88 131.6 16.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.35 109.406 -179.775 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 22.9 tt0 -86.46 131.24 34.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 1.37 109.432 -179.974 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.2 mt -123.83 118.82 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -0.912 . . . . 0.48 109.256 179.77 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 147.84 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.907 . . . . 2.08 109.445 179.97 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.61 138.14 9.53 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.8 ttt180 -82.8 -59.19 2.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -1.148 . . . . 2.64 109.529 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.34 81.88 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.382 -0.824 . . . . 2.22 109.478 179.905 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.899 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -44.52 96.2 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.454 -0.778 . . . . 2.74 109.216 179.842 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.8 t80 -55.35 -48.74 73.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.43 109.456 -179.986 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.16 52.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 1.69 109.94 -179.594 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.56 -46.52 87.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.205 -0.934 . . . . 0.43 110.066 -179.159 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.0 m-85 -60.93 -48.18 83.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.135 -0.978 . . . . 0.27 109.21 179.85 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.9 -43.41 59.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.543 -0.723 . . . . 2.45 109.62 179.922 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.23 -40.85 91.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 1.75 109.97 -179.464 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' C' ' 344' ' ' LEU . 38.4 mt -62.95 -45.58 91.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.31 109.574 -179.755 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.522 ' HB2' HD21 ' B' ' 330' ' ' LEU . 58.7 t30 -58.26 -46.56 85.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 1.22 109.756 -179.849 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -37.2 83.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 1.73 109.861 -179.586 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.31 -49.77 76.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.28 109.925 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.87 HD22 HH12 ' B' ' 337' ' ' ARG . 57.3 mt -61.12 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.31 109.68 -179.533 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.11 -37.39 77.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.91 109.556 -179.879 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.761 HD11 HE21 ' C' ' 354' ' ' GLN . 11.8 tp -64.69 -40.44 95.39 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.287 -0.883 . . . . 0.43 109.62 -179.803 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -62.83 -46.84 86.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 1.57 109.44 -179.934 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.65 -32.8 65.72 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.56 -0.713 . . . . 1.44 109.934 -179.678 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.21 84.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.64 109.759 -179.608 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.621 HE21 HD11 ' C' ' 350' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.21 109.893 -179.852 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.277 0.56 . . . . 1.7 109.543 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.05 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.914 . . . . 0.61 109.447 179.871 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.66 -171.44 3.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.58 109.474 -179.871 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.3 p -152.62 160.95 43.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.42 109.625 -179.799 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.52 128.57 13.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.36 109.618 -179.944 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 38.6 tt0 -86.92 126.57 34.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.37 109.473 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 49.3 mt -123.87 117.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.47 109.481 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.75 149.5 41.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 2.1 109.486 179.908 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.56 134.23 7.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.754 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.3 ttp180 -78.69 -57.35 3.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -1.134 . . . . 2.68 109.583 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -44.44 91.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 2.22 109.543 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.88 -46.14 91.8 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.358 -0.839 . . . . 2.77 109.639 -179.742 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.2 t80 -54.93 -54.92 36.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.43 109.692 -179.837 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -50.29 -36.38 31.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.89 . . . . 1.66 109.963 -179.628 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.72 -47.25 84.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.117 -0.989 . . . . 0.44 109.954 -179.452 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.69 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.9 m-85 -61.32 -53.03 61.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.91 . . . . 0.29 109.267 179.942 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.448 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.88 -36.33 37.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 2.44 109.56 179.954 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.97 -45.15 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 1.74 109.898 -179.837 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' B' ' 344' ' ' LEU . 26.8 mt -61.83 -43.68 98.37 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.299 -0.876 . . . . 0.3 109.569 -179.775 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 47.5 t30 -57.88 -44.43 86.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.879 . . . . 1.22 109.569 179.86 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.25 91.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.365 -0.835 . . . . 1.72 109.663 -179.825 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.04 -46.36 88.43 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.27 109.934 -179.69 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.714 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 19.5 mt -61.5 -45.15 95.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.29 109.777 -179.765 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.56 -36.76 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.91 109.737 -179.904 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 19.6 tp -63.69 -43.1 97.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.41 109.497 -179.91 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.8 -50.09 73.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 1.56 108.743 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.9 -28.36 64.14 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.647 -0.658 . . . . 1.43 109.483 179.533 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.66 85.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.458 -0.776 . . . . 0.66 109.789 -179.463 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.18 109.513 -179.999 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.304 0.573 . . . . 1.61 109.547 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.06 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.182 -0.949 . . . . 0.57 109.499 179.89 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 82.4 m-85 -139.67 -171.49 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.53 109.571 -179.894 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.0 p -152.58 161.04 43.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.137 -0.977 . . . . 0.38 109.564 -179.787 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.4 tp -148.63 128.55 13.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.36 109.468 -179.833 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 38.7 tt0 -86.93 126.52 34.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 1.36 109.521 179.954 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.89 117.58 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.49 109.465 179.888 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.72 149.45 41.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.194 -0.941 . . . . 2.1 109.575 179.889 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.33 7.74 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.831 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.3 ttp180 -78.76 -57.38 3.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -1.11 . . . . 2.72 109.634 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.76 -44.37 90.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.359 -0.838 . . . . 2.21 109.653 179.987 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.556 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.94 -46.11 92.0 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.295 -0.878 . . . . 2.79 109.647 -179.736 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.7 t80 -55.12 -54.81 38.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.46 -0.775 . . . . 0.45 109.646 -179.779 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -50.31 -36.35 31.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.386 -0.821 . . . . 1.68 109.922 -179.6 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.75 -47.31 84.11 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.17 -0.956 . . . . 0.43 109.883 -179.436 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.738 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.8 m-85 -61.32 -53.14 60.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.139 -0.976 . . . . 0.28 109.22 -179.993 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.462 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.67 -36.49 35.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.306 -0.871 . . . . 2.52 109.574 179.836 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.85 -45.25 95.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.771 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 344' ' ' LEU . 27.3 mt -61.81 -43.75 98.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.31 109.442 -179.718 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 47.4 t30 -57.8 -44.49 86.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.288 -0.882 . . . . 1.21 109.584 179.865 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -39.04 91.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.41 -0.806 . . . . 1.69 109.662 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.14 -46.33 88.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.27 109.959 -179.786 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 19.6 mt -61.53 -45.02 95.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.319 -0.863 . . . . 0.3 109.725 -179.732 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.79 -36.65 77.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 1.93 109.672 -179.809 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.504 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 19.8 tp -63.7 -43.19 97.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.4 109.468 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.7 -50.08 73.88 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.279 -0.888 . . . . 1.59 108.854 179.629 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.91 -28.37 64.18 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.594 -0.691 . . . . 1.43 109.384 179.52 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.65 85.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.65 109.832 -179.418 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 1.19 109.443 179.993 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.23 0.538 . . . . 2.11 109.61 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.14 159.19 15.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.884 . . . . 0.64 109.473 179.938 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 82.3 m-85 -139.64 -171.47 3.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.49 109.506 -179.877 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.1 p -152.64 160.96 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.181 -0.949 . . . . 0.47 109.566 -179.808 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -148.5 128.58 13.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.187 -0.946 . . . . 0.42 109.514 -179.827 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 38.7 tt0 -86.96 126.58 34.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.314 -0.866 . . . . 1.81 109.47 179.959 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' C' ' 341' ' ' PHE . 49.2 mt -123.89 117.56 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.42 109.558 179.784 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.67 149.46 41.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 2.35 109.524 179.913 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.27 7.72 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.813 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.3 ttp180 -78.71 -57.36 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.224 -1.162 . . . . 2.59 109.674 179.929 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.8 -44.43 90.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 2.54 109.55 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.96 -46.08 92.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.265 -0.897 . . . . 3.39 109.634 -179.65 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.06 -54.76 38.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.47 109.783 -179.905 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -50.34 -36.33 31.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 1.66 109.996 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.81 -47.2 84.46 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.139 -0.975 . . . . 0.61 109.942 -179.459 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.714 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.26 -53.17 60.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.33 109.232 179.916 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.459 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.76 -36.45 36.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.398 -0.814 . . . . 3.28 109.659 179.902 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.19 95.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.78 109.886 -179.801 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' D' ' 344' ' ' LEU . 27.1 mt -61.81 -43.69 98.35 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.38 109.525 -179.82 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 341' ' ' PHE . 47.6 t30 -57.98 -44.29 87.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 1.2 109.545 179.903 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -39.1 91.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.217 -0.927 . . . . 2.12 109.735 -179.915 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.09 -46.37 88.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.26 109.905 -179.748 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.69 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 19.6 mt -61.55 -44.99 96.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.189 -0.944 . . . . 0.4 109.754 -179.682 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.68 -36.73 77.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 2.09 109.753 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 19.5 tp -63.65 -43.34 97.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.947 . . . . 0.75 109.425 -179.914 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.64 -50.08 73.96 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.352 -0.842 . . . . 2.19 108.867 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.88 -28.28 64.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.502 0.667 . . . . 1.34 109.533 179.48 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.72 109.838 -179.515 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.067 -1.021 . . . . 1.8 109.462 179.951 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.264 0.554 . . . . 1.67 109.522 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 7.3 m-85 -94.18 159.14 15.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 0.61 109.421 179.936 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 82.3 m-85 -139.69 -171.5 3.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.56 109.571 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.0 p -152.62 160.9 43.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 0.43 109.562 -179.744 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.3 tp -148.5 128.73 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.338 -0.851 . . . . 0.35 109.429 -179.841 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 38.8 tt0 -87.01 126.56 34.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.181 -0.949 . . . . 1.37 109.471 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.5 mt -123.93 117.46 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.125 -0.985 . . . . 0.48 109.476 179.902 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.61 149.43 42.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 2.08 109.512 179.912 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.47 134.19 7.67 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.72 -1.352 . . . . 0.4 109.72 179.75 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.3 ttp180 -78.6 -57.32 3.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -1.112 . . . . 2.64 109.65 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.82 -44.25 90.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 2.22 109.666 -179.926 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -61.07 -46.03 92.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 2.74 109.705 -179.799 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.1 t80 -55.06 -54.89 37.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.801 . . . . 0.43 109.669 -179.924 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -50.32 -36.28 31.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.69 109.965 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.78 -47.38 83.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.007 -1.058 . . . . 0.43 109.824 -179.451 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.736 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.9 m-85 -61.22 -53.19 59.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.27 109.202 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.459 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.73 -36.4 36.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 2.45 109.575 179.964 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.27 95.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 1.75 109.821 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' C' ' 344' ' ' LEU . 27.4 mt -61.84 -43.65 98.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.295 -0.878 . . . . 0.31 109.478 -179.711 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' B' ' 330' ' ' LEU . 47.5 t30 -57.93 -44.45 86.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 1.22 109.525 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -39.18 91.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 1.73 109.762 -179.884 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.11 -46.37 88.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.28 109.902 -179.715 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.738 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 19.6 mt -61.47 -45.08 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 0.31 109.768 -179.707 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.66 -36.72 76.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 1.91 109.749 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.447 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 19.6 tp -63.65 -43.24 97.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.43 109.448 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.74 -50.01 74.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.57 108.87 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.98 -28.19 64.16 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 1.44 109.55 179.457 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.7 85.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.64 109.86 -179.567 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.971 . . . . 1.21 109.46 179.999 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.132 -0.692 . . . . 1.7 109.132 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -95.97 149.03 22.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.123 -0.986 . . . . 0.61 109.994 -179.81 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.7 m-85 -137.8 -168.89 2.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.398 -0.814 . . . . 0.58 109.361 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 65.3 p -154.18 158.98 41.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.213 -0.929 . . . . 0.42 109.621 -179.937 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 9.6 tp -147.1 128.97 15.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.206 -0.934 . . . . 0.36 109.515 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 36.9 tt0 -87.38 129.77 34.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.283 -0.885 . . . . 1.37 109.634 -179.949 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 341' ' ' PHE . 46.0 mt -123.5 120.45 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.47 109.439 179.677 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.48 41.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.211 -0.93 . . . . 2.1 109.787 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.22 138.91 4.57 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.742 -1.343 . . . . 0.42 109.742 179.695 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.2 -45.64 19.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.297 -1.119 . . . . 2.68 109.495 179.925 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.77 -46.6 87.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 2.22 109.424 179.951 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.7 ' HD2' HD13 ' C' ' 348' ' ' LEU . 6.6 tpp180 -61.29 -44.71 96.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.343 -0.848 . . . . 2.77 109.786 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' C' ' 329' ' ' THR . 24.0 t80 -54.94 -56.27 21.51 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.525 -0.734 . . . . 0.43 109.833 -179.77 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.85 -37.89 60.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.279 -0.888 . . . . 1.66 109.978 -179.642 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.7 -46.69 86.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.202 -0.936 . . . . 0.44 110.115 -179.328 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.36 -51.44 68.79 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.29 109.401 -179.847 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 10.5 ttm180 -50.93 -37.74 46.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.391 -0.818 . . . . 2.44 109.688 179.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.44 -46.39 90.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 1.74 110.054 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 344' ' ' LEU . 75.1 mt -61.65 -43.13 99.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.197 -0.94 . . . . 0.3 109.651 -179.682 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.33 -46.54 86.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.296 -0.878 . . . . 1.22 109.7 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.67 -37.23 85.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.72 109.879 -179.683 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -48.1 83.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.27 110.058 -179.719 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.726 HD13 ' HD2' ' C' ' 337' ' ' ARG . 51.1 mt -61.56 -44.74 96.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 0.29 109.711 -179.675 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.31 -36.44 75.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 1.91 109.458 179.97 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.644 HD21 ' NE2' ' B' ' 354' ' ' GLN . 15.7 tp -64.29 -41.34 96.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 0.41 109.454 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.533 ' HA ' HD22 ' B' ' 350' ' ' LEU . 1.1 ttmp? -62.32 -49.48 75.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 1.56 109.054 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -56.93 -30.74 64.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.585 -0.697 . . . . 1.43 109.718 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.65 84.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.849 . . . . 0.66 109.961 -179.593 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.501 ' NE2' HD21 ' B' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.18 109.807 -179.728 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.001 -0.741 . . . . 1.61 109.001 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -95.93 149.24 21.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -0.966 . . . . 0.57 109.901 -179.759 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.7 m-85 -138.05 -168.97 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.398 -0.814 . . . . 0.53 109.294 179.887 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 65.5 p -154.22 158.84 40.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.197 -0.939 . . . . 0.38 109.706 -179.789 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.6 tp -147.06 129.04 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.36 109.488 -179.879 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 37.0 tt0 -87.31 129.85 34.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.848 . . . . 1.36 109.68 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' B' ' 341' ' ' PHE . 46.4 mt -123.67 120.6 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.49 109.358 179.656 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.8 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 2.1 109.717 -179.908 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.89 139.0 4.42 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.832 -1.307 . . . . 0.44 109.832 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.486 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -79.29 -45.72 19.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -1.143 . . . . 2.72 109.369 179.923 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.7 -46.6 86.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.862 . . . . 2.21 109.498 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD2' HD13 ' D' ' 348' ' ' LEU . 6.6 tpp180 -61.21 -44.76 96.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.325 -0.86 . . . . 2.79 109.814 179.975 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 24.0 t80 -54.96 -56.2 22.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.475 -0.766 . . . . 0.45 109.843 -179.738 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.94 -37.74 61.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.461 -0.774 . . . . 1.68 110.025 -179.662 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.75 -46.57 87.45 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.43 110.228 -179.419 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' B' ' 332' ' ' ILE . 28.4 m-85 -61.45 -51.48 68.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.28 109.273 -179.834 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' D' ' 330' ' ' LEU . 10.5 ttm180 -51.02 -37.73 46.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 2.52 109.655 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.39 -46.32 90.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.75 110.112 -179.58 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 344' ' ' LEU . 74.9 mt -61.68 -43.14 99.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.31 109.663 -179.721 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.4 -46.44 86.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.21 109.688 -179.942 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.76 -37.18 85.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 1.69 109.892 -179.734 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.91 -48.1 83.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.27 109.98 -179.744 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' D' ' 337' ' ' ARG . 50.9 mt -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.3 109.799 -179.729 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.25 -36.46 75.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.386 -0.821 . . . . 1.93 109.531 179.886 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 351' ' ' LYS . 15.8 tp -64.2 -41.45 97.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.363 -0.836 . . . . 0.4 109.475 179.982 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 1.1 ttmp? -62.31 -49.47 75.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.879 . . . . 1.59 109.024 179.885 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -56.92 -30.74 64.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.485 -0.759 . . . . 1.43 109.644 179.776 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.86 84.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.65 109.973 -179.652 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.644 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.213 -0.93 . . . . 1.19 109.814 -179.643 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.04 -0.726 . . . . 2.11 109.04 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -96.09 149.21 21.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.028 . . . . 0.64 109.858 -179.702 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.9 m-85 -138.01 -168.97 2.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.49 109.358 179.854 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.8 p -154.19 158.9 41.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.47 109.616 -179.819 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tp -147.04 128.93 15.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.379 -0.825 . . . . 0.42 109.557 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.3 129.85 34.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.394 -0.816 . . . . 1.81 109.722 -179.95 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.659 HD13 ' CD2' ' C' ' 341' ' ' PHE . 46.5 mt -123.65 120.5 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.42 109.388 179.753 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.28 151.45 41.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -0.937 . . . . 2.35 109.759 -179.855 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.27 138.85 4.58 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.795 -1.322 . . . . 0.41 109.795 179.686 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -79.13 -45.78 19.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -1.137 . . . . 2.59 109.43 179.94 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.63 -46.69 86.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 2.54 109.473 179.964 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.726 ' HD2' HD13 ' A' ' 348' ' ' LEU . 6.6 tpp180 -61.2 -44.74 96.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.367 -0.833 . . . . 3.39 109.8 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' A' ' 329' ' ' THR . 23.9 t80 -54.91 -56.35 20.48 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.522 -0.737 . . . . 0.47 109.732 -179.716 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.88 -37.77 60.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.4 -0.813 . . . . 1.66 110.005 -179.573 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.68 86.97 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.925 . . . . 0.61 110.129 -179.364 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.659 ' CD2' HD13 ' C' ' 332' ' ' ILE . 28.5 m-85 -61.45 -51.37 69.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.33 109.358 -179.763 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 10.5 ttm180 -50.99 -37.74 46.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 3.28 109.686 179.923 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.48 -46.23 90.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.266 -0.896 . . . . 1.78 110.129 -179.532 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 344' ' ' LEU . 74.6 mt -61.64 -43.32 99.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.38 109.545 -179.724 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.3 t30 -58.25 -46.46 85.94 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 1.2 109.743 -179.894 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.74 -37.29 86.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 2.12 109.79 -179.649 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.89 -48.02 83.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.26 110.052 -179.71 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 337' ' ' ARG . 50.6 mt -61.53 -44.75 96.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.35 -0.844 . . . . 0.4 109.772 -179.672 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.26 -36.49 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.175 -0.953 . . . . 2.09 109.475 179.938 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.526 HD21 ' NE2' ' D' ' 354' ' ' GLN . 15.7 tp -64.22 -41.42 97.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.75 109.46 179.96 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.33 -49.32 76.06 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.422 -0.799 . . . . 2.19 109.089 179.909 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.93 -30.92 64.44 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.62 -0.675 . . . . 1.34 109.652 179.723 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.78 84.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.356 -0.84 . . . . 0.72 109.929 -179.583 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.577 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 1.8 109.855 -179.712 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.139 -0.689 . . . . 1.67 109.139 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -95.89 149.36 21.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.95 -1.093 . . . . 0.61 109.881 -179.701 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 92.9 m-85 -138.05 -168.98 2.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.56 109.224 179.899 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.3 p -154.26 158.94 40.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.43 109.634 -179.884 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -147.07 129.03 15.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.35 109.478 -179.818 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 37.0 tt0 -87.34 129.86 34.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.37 109.631 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' D' ' 341' ' ' PHE . 45.9 mt -123.68 120.59 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.14 -0.975 . . . . 0.48 109.389 179.606 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -73.16 151.74 41.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 2.08 109.765 -179.915 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.94 138.95 4.43 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.764 -1.334 . . . . 0.4 109.764 179.765 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.21 -45.78 19.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -1.145 . . . . 2.64 109.323 179.89 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.68 -46.58 86.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.37 -0.831 . . . . 2.22 109.522 179.987 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.733 ' HD2' HD13 ' B' ' 348' ' ' LEU . 6.6 tpp180 -61.25 -44.86 96.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.295 -0.878 . . . . 2.74 109.754 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' O ' ' B' ' 329' ' ' THR . 24.0 t80 -54.79 -56.36 20.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.417 -0.802 . . . . 0.43 109.876 -179.748 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -52.78 -37.78 60.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.434 -0.791 . . . . 1.69 110.089 -179.699 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.58 87.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.43 110.214 -179.379 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.661 ' CD2' HD13 ' D' ' 332' ' ' ILE . 28.7 m-85 -61.49 -51.47 68.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.27 109.326 -179.839 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' B' ' 330' ' ' LEU . 10.5 ttm180 -50.94 -37.61 45.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 2.45 109.722 179.976 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.46 -46.29 90.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.297 -0.877 . . . . 1.75 110.141 -179.582 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' D' ' 344' ' ' LEU . 75.6 mt -61.71 -43.23 99.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.31 109.661 -179.667 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.16 -46.52 85.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 1.22 109.748 179.925 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.77 -37.29 86.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 1.73 109.79 -179.607 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -48.12 82.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.357 -0.839 . . . . 0.28 110.025 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' B' ' 337' ' ' ARG . 51.7 mt -61.5 -44.68 96.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.31 109.793 -179.689 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.36 -36.49 75.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 1.91 109.503 179.87 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.577 HD21 ' NE2' ' C' ' 354' ' ' GLN . 15.8 tp -64.24 -41.42 96.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 0.43 109.46 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.26 -49.46 75.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.349 -0.844 . . . . 1.57 109.044 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.91 -30.89 64.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.634 -0.666 . . . . 1.44 109.622 179.762 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.67 84.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.64 109.963 -179.605 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.526 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.17 -0.956 . . . . 1.21 109.804 -179.687 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.465 -0.568 . . . . 1.7 109.465 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.3 158.81 15.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 0.61 109.355 179.938 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.4 m-85 -139.72 -169.46 2.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.58 109.523 -179.962 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -153.58 156.24 37.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.324 -0.86 . . . . 0.42 109.377 -179.854 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.432 HD13 ' HG3' ' C' ' 342' ' ' ARG . 29.1 tp -149.67 135.4 18.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.36 109.522 -179.733 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.85 134.23 33.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.37 109.499 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 341' ' ' PHE . 45.5 mt -124.05 111.4 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.47 109.571 179.96 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.38 144.0 46.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 2.1 109.494 179.833 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.44 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 100.49 140.19 11.2 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.725 -1.35 . . . . 0.42 109.725 179.809 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -79.82 -59.46 2.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -1.159 . . . . 2.68 109.473 179.866 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.81 -42.4 89.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.387 -0.82 . . . . 2.22 109.786 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 340' ' ' MET . 5.8 ttm180 -60.41 -44.09 96.06 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.364 -0.835 . . . . 2.77 109.94 -179.606 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.509 ' HA ' HG21 ' A' ' 332' ' ' ILE . 34.9 t80 -54.52 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.283 -0.886 . . . . 0.43 109.66 -179.791 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.6 -31.32 35.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 1.66 109.985 -179.848 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.453 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 2.9 ttp -65.88 -50.2 65.36 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.21 -0.931 . . . . 0.44 109.756 -179.813 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.638 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -60.59 -52.57 64.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.29 109.328 -179.941 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.438 ' HG3' HD13 ' C' ' 330' ' ' LEU . 7.6 ttm180 -50.66 -37.1 38.9 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 2.44 109.633 179.824 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.74 -45.34 94.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 1.74 109.854 -179.823 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -61.91 -44.86 95.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.3 109.604 -179.762 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.56 -45.3 85.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.321 -0.862 . . . . 1.22 109.593 179.944 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.71 -36.29 82.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 1.72 109.515 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.37 -50.5 73.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.27 109.799 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.558 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 18.8 mt -61.13 -42.36 98.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.151 -0.968 . . . . 0.29 109.601 -179.646 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.301 -0.875 . . . . 1.91 109.445 179.936 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.509 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 33.0 tp -63.9 -40.92 97.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.378 -0.826 . . . . 0.41 109.369 179.958 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -50.34 72.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.837 -0.801 . . . . 1.56 108.837 179.666 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -31.46 63.96 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.701 -0.625 . . . . 1.43 109.562 179.706 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.99 79.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.66 109.44 -179.758 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.9 . . . . 1.18 109.485 179.952 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.512 -0.551 . . . . 1.61 109.512 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -93.27 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.57 109.416 179.956 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 90.7 m-85 -139.7 -169.51 2.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.234 -0.916 . . . . 0.53 109.571 -179.927 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 35.0 p -153.54 156.32 37.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.207 -0.933 . . . . 0.38 109.397 -179.904 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.444 HD13 ' HG3' ' D' ' 342' ' ' ARG . 28.7 tp -149.77 135.36 18.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.202 -0.936 . . . . 0.36 109.542 -179.689 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 35.4 tt0 -85.89 134.27 33.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.36 109.476 -179.945 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.4 mt -124.01 111.41 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.49 109.598 179.942 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.43 143.98 46.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 2.1 109.522 179.823 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 100.56 140.11 11.16 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.727 -1.349 . . . . 0.44 109.727 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.505 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -79.75 -59.38 2.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -1.116 . . . . 2.72 109.463 179.954 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.88 -42.48 89.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 2.21 109.726 -179.991 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' B' ' 340' ' ' MET . 5.7 ttm180 -60.37 -44.02 95.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.302 -0.873 . . . . 2.79 109.975 -179.556 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.507 ' HA ' HG21 ' B' ' 332' ' ' ILE . 34.9 t80 -54.46 -58.27 8.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.829 . . . . 0.45 109.591 -179.819 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.46 -31.52 35.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 1.68 109.859 -179.745 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 2.9 ttp -65.81 -50.19 65.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.43 109.724 -179.721 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -60.64 -52.6 64.46 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.255 -0.903 . . . . 0.28 109.299 -179.871 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' D' ' 330' ' ' LEU . 7.7 ttm180 -50.67 -37.05 38.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.398 -0.814 . . . . 2.52 109.611 179.848 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.85 -45.13 95.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 1.75 109.957 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' A' ' 344' ' ' LEU . 72.7 mt -61.96 -44.9 95.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.31 109.605 -179.866 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.49 -45.4 84.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.214 -0.929 . . . . 1.21 109.547 179.985 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -36.26 82.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.873 . . . . 1.69 109.558 -179.885 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.46 -50.32 74.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.27 109.87 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.569 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 18.9 mt -61.32 -42.32 98.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.3 109.512 -179.645 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.54 -37.33 78.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.93 109.467 179.885 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 33.4 tp -63.86 -40.99 97.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.4 109.373 179.924 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.41 72.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.274 -0.891 . . . . 1.59 108.799 179.719 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -31.5 63.82 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.729 -0.607 . . . . 1.43 109.635 179.659 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.87 79.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.65 109.521 -179.825 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 1.19 109.511 179.939 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.483 -0.562 . . . . 2.11 109.483 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -93.26 158.78 15.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.64 109.408 179.932 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.4 m-85 -139.68 -169.58 2.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.49 109.513 -179.836 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.402 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 35.2 p -153.5 156.13 37.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.232 -0.918 . . . . 0.47 109.41 -179.952 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 342' ' ' ARG . 28.7 tp -149.52 135.54 18.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.42 109.657 -179.847 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.98 134.16 33.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.955 . . . . 1.81 109.454 -179.896 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.0 mt -123.93 111.37 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.958 . . . . 0.42 109.613 179.977 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.54 144.07 46.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.218 -0.926 . . . . 2.35 109.445 179.889 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 100.5 140.13 11.17 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.776 -1.33 . . . . 0.41 109.776 179.883 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -79.8 -59.32 2.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -1.159 . . . . 2.59 109.511 179.885 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.94 -42.43 89.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 2.54 109.755 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' C' ' 340' ' ' MET . 5.7 ttm180 -60.3 -44.27 95.56 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 3.39 109.875 -179.615 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.522 ' HA ' HG21 ' C' ' 332' ' ' ILE . 35.1 t80 -54.37 -58.25 8.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.247 -0.908 . . . . 0.47 109.687 -179.699 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.4 -31.5 34.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 1.66 109.98 -179.879 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 2.8 ttp -65.75 -50.2 65.63 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.29 -0.881 . . . . 0.61 109.681 -179.736 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.54 64.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.247 -0.908 . . . . 0.33 109.333 -179.837 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.432 ' HG3' HD13 ' A' ' 330' ' ' LEU . 7.7 ttm180 -50.75 -37.03 39.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.397 -0.814 . . . . 3.28 109.531 179.871 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.7 -45.34 94.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.206 -0.934 . . . . 1.78 109.889 -179.786 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' D' ' 344' ' ' LEU . 72.6 mt -61.88 -44.9 95.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.38 109.554 -179.746 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.58 -45.34 85.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 1.2 109.544 -179.959 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.69 -36.13 81.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.287 -0.883 . . . . 2.12 109.582 -179.911 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.54 -50.31 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.26 109.886 -179.864 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.525 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 18.7 mt -61.2 -42.35 98.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.848 . . . . 0.4 109.646 -179.785 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.5 -37.37 78.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.09 109.456 179.903 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 33.2 tp -63.88 -40.93 97.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.3 -0.875 . . . . 0.75 109.376 179.994 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -50.43 72.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.383 -0.823 . . . . 2.19 108.889 179.602 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.685 -0.634 . . . . 1.34 109.589 179.698 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.83 78.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.28 -0.888 . . . . 0.72 109.491 -179.776 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.903 . . . . 1.8 109.556 179.879 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.499 -0.556 . . . . 1.67 109.499 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.26 158.79 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 0.61 109.338 179.975 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.5 m-85 -139.83 -169.6 2.75 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.17 -0.956 . . . . 0.56 109.553 -179.988 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 34.7 p -153.49 156.33 37.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.43 109.379 -179.892 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' ' 342' ' ' ARG . 28.7 tp -149.69 135.39 18.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.35 109.521 -179.639 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.3 tt0 -85.87 134.18 33.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.32 -0.862 . . . . 1.37 109.517 179.969 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.62 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.6 mt -124.03 111.34 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.48 109.592 179.961 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.36 144.04 46.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.241 -0.912 . . . . 2.08 109.487 179.843 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 100.54 140.16 11.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.734 -1.346 . . . . 0.4 109.734 179.78 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -79.87 -59.35 2.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 2.64 109.437 179.904 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.86 -42.53 89.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 2.22 109.674 -179.956 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' D' ' 340' ' ' MET . 5.8 ttm180 -60.36 -44.11 95.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.217 -0.927 . . . . 2.74 109.814 -179.474 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.526 ' HA ' HG21 ' D' ' 332' ' ' ILE . 34.7 t80 -54.55 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.961 . . . . 0.43 109.611 -179.723 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.54 -31.4 35.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.69 110.019 -179.821 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 2.9 ttp -65.91 -50.1 65.65 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.063 -1.023 . . . . 0.43 109.66 -179.734 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.62 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.63 64.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.27 109.269 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.444 ' HG3' HD13 ' B' ' 330' ' ' LEU . 7.7 ttm180 -50.62 -37.1 38.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.314 -0.866 . . . . 2.45 109.569 179.881 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.68 -45.3 94.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 1.75 109.881 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' C' ' 344' ' ' LEU . 72.3 mt -61.99 -44.95 95.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.943 . . . . 0.31 109.538 -179.659 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.44 -45.42 84.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 1.22 109.566 179.912 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.64 -36.22 82.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.432 -0.793 . . . . 1.73 109.557 -179.915 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.51 -50.29 74.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.28 109.904 -179.884 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.611 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 18.9 mt -61.25 -42.31 98.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.848 . . . . 0.31 109.625 -179.763 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.62 -37.16 77.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.91 109.466 179.921 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 33.4 tp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.313 -0.867 . . . . 0.43 109.325 -179.964 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -50.33 72.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.796 -0.816 . . . . 1.57 108.796 179.677 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -31.38 64.06 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.609 -0.682 . . . . 1.44 109.624 179.746 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.0 79.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.64 109.519 -179.9 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.21 109.569 179.877 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.322 0.582 . . . . 1.7 109.461 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.82 154.43 17.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -0.915 . . . . 0.61 109.505 -179.92 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.6 m-85 -138.14 -169.39 2.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.164 -0.96 . . . . 0.58 109.675 179.93 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.2 p -154.0 157.5 39.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.42 109.226 -179.757 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.7 tp -149.26 130.28 14.4 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.18 -0.95 . . . . 0.36 109.388 -179.941 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.4 tt0 -86.61 132.76 33.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 1.37 109.369 179.794 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.595 HD12 ' CD1' ' A' ' 338' ' ' PHE . 28.4 mt -124.11 116.17 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.179 -0.951 . . . . 0.47 109.555 179.768 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.04 42.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.482 -0.761 . . . . 2.1 109.174 179.671 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.77 134.72 7.48 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.754 -1.338 . . . . 0.42 109.754 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -77.38 -63.35 1.39 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.243 -1.151 . . . . 2.68 109.34 -179.924 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.13 -38.21 76.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.391 -0.818 . . . . 2.22 109.819 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.775 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -63.06 -46.1 89.05 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.236 -0.915 . . . . 2.77 109.548 -179.867 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 332' ' ' ILE . 53.9 t80 -53.47 -51.05 63.98 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.313 -0.867 . . . . 0.43 109.677 -179.861 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -52.49 -39.21 60.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.31 -0.869 . . . . 1.66 110.06 -179.735 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -61.89 -47.97 82.58 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.186 -0.946 . . . . 0.44 110.232 -179.115 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 25.0 m-85 -60.34 -54.55 44.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.166 -0.959 . . . . 0.29 109.239 -179.808 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.25 -36.32 30.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.357 -0.839 . . . . 2.44 109.367 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.31 -48.35 81.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 1.74 109.707 -179.896 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.63 -40.64 92.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -0.898 . . . . 0.3 109.407 -179.534 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 44.4 t30 -58.11 -47.74 82.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.327 -0.858 . . . . 1.22 109.491 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.09 -35.2 79.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.84 . . . . 1.72 109.872 -179.656 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -49.36 77.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.27 109.839 -179.709 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.884 HD22 HH12 ' C' ' 337' ' ' ARG . 46.5 mt -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.29 109.802 -179.82 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.4 -37.63 81.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 1.91 109.624 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.881 HD21 ' NE2' ' B' ' 354' ' ' GLN . 8.8 tp -63.87 -44.19 93.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.41 109.667 -179.593 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HA ' HD22 ' B' ' 350' ' ' LEU . 35.0 ttmt -62.26 -42.42 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 1.56 109.063 179.986 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.86 -32.03 63.29 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.601 -0.687 . . . . 1.43 109.546 179.725 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.96 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.214 -0.929 . . . . 0.66 109.525 -179.939 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.806 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 1.18 109.595 179.929 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.357 0.599 . . . . 1.61 109.524 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.84 154.41 17.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -0.933 . . . . 0.57 109.49 -179.873 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.5 m-85 -138.2 -169.4 2.57 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.151 -0.968 . . . . 0.53 109.741 179.878 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.2 p -153.9 157.62 39.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.285 -0.884 . . . . 0.38 109.276 -179.742 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.6 tp -149.33 130.22 14.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.36 109.537 -179.983 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.59 132.45 33.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -0.871 . . . . 1.36 109.434 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' B' ' 338' ' ' PHE . 27.7 mt -124.06 115.98 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.49 109.594 179.913 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.77 139.31 43.25 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.454 -0.779 . . . . 2.1 109.267 179.684 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.41 134.93 7.63 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.766 -1.333 . . . . 0.44 109.766 179.908 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -77.46 -63.47 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.349 -1.089 . . . . 2.72 109.339 179.918 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.79 . . . . 2.21 109.84 -179.62 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' D' ' 348' ' ' LEU . 11.2 tpp180 -62.95 -46.02 89.74 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.252 -0.905 . . . . 2.79 109.635 -179.816 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.601 ' CD1' HD12 ' B' ' 332' ' ' ILE . 53.9 t80 -53.55 -51.03 64.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.298 -0.876 . . . . 0.45 109.719 -179.884 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.43 -39.2 60.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.904 . . . . 1.68 110.095 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -61.79 -47.93 82.9 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.104 -0.998 . . . . 0.43 110.31 -179.151 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.659 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 24.8 m-85 -60.48 -54.68 42.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.28 109.06 -179.8 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.07 -36.58 29.84 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.52 109.39 179.769 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.16 -48.27 82.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.75 109.782 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.58 -40.58 92.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.31 109.427 -179.553 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.441 ' HB2' HD21 ' D' ' 330' ' ' LEU . 43.8 t30 -58.21 -48.03 81.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.276 -0.89 . . . . 1.21 109.455 179.721 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.8 -35.15 78.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -0.807 . . . . 1.69 110.054 -179.718 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.66 -49.49 77.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.27 109.757 -179.743 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.802 HD22 HH12 ' D' ' 337' ' ' ARG . 48.2 mt -62.14 -41.36 98.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.3 109.614 -179.641 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.44 -37.61 81.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 1.93 109.701 -179.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.806 HD21 ' NE2' ' A' ' 354' ' ' GLN . 8.8 tp -63.91 -44.15 93.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.4 109.661 -179.716 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -62.25 -42.67 99.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.217 -0.927 . . . . 1.59 108.961 179.965 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.64 -32.1 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.574 -0.703 . . . . 1.43 109.558 179.732 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.84 81.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.65 109.539 -179.812 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.881 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.19 109.664 179.835 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.305 0.574 . . . . 2.11 109.503 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.81 154.24 17.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 0.64 109.481 -179.89 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.0 m-85 -138.03 -169.44 2.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.49 109.665 179.967 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.3 p -154.01 157.54 39.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 0.47 109.283 -179.842 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.32 130.06 14.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.161 -0.962 . . . . 0.42 109.464 -179.956 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.43 132.57 33.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.302 -0.874 . . . . 1.81 109.423 179.909 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.592 HD12 ' CD1' ' C' ' 338' ' ' PHE . 27.3 mt -123.94 116.11 47.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.205 -0.934 . . . . 0.42 109.582 179.868 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.0 139.08 42.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.375 -0.828 . . . . 2.35 109.244 179.576 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.72 134.94 7.56 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.725 -1.35 . . . . 0.41 109.725 179.898 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -77.66 -63.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -1.108 . . . . 2.59 109.392 179.933 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.14 -38.17 76.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -0.833 . . . . 2.54 109.769 -179.659 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.884 HH12 HD22 ' A' ' 348' ' ' LEU . 11.2 tpp180 -63.23 -46.1 88.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.206 -0.934 . . . . 3.39 109.58 -179.835 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.592 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -53.52 -50.95 64.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.367 -0.833 . . . . 0.47 109.68 -179.856 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -52.49 -39.16 60.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.842 . . . . 1.66 110.108 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.02 -47.78 83.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.233 -0.917 . . . . 0.61 110.238 -179.106 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.666 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 25.2 m-85 -60.52 -54.67 42.68 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.33 109.176 -179.858 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -50.08 -36.39 29.1 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.372 -0.83 . . . . 3.28 109.363 179.733 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -48.42 81.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.78 109.777 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' D' ' 344' ' ' LEU . 91.1 mt -60.28 -40.61 91.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 0.38 109.472 -179.574 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' A' ' 330' ' ' LEU . 43.6 t30 -58.33 -47.96 82.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.339 -0.851 . . . . 1.2 109.485 179.757 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.64 -35.46 79.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 2.12 109.913 -179.795 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.48 -49.51 77.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.264 -0.898 . . . . 0.26 109.822 -179.652 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.775 HD22 HH12 ' A' ' 337' ' ' ARG . 49.0 mt -62.2 -41.34 98.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.344 -0.848 . . . . 0.4 109.635 -179.624 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.44 -37.47 81.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.09 109.634 -179.955 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.723 HD21 ' NE2' ' D' ' 354' ' ' GLN . 8.8 tp -64.0 -44.29 93.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.75 109.73 -179.666 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.19 -42.43 99.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.277 -0.889 . . . . 2.19 109.003 179.951 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.83 -32.06 63.25 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.599 -0.688 . . . . 1.34 109.544 179.724 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.83 81.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.274 -0.891 . . . . 0.72 109.524 -179.872 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.92 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.884 . . . . 1.8 109.703 179.876 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.294 0.569 . . . . 1.67 109.545 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -94.86 154.44 17.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.257 -0.902 . . . . 0.61 109.505 -179.859 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -138.26 -169.34 2.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.56 109.595 179.976 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.2 p -154.09 157.49 39.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.353 -0.842 . . . . 0.43 109.277 -179.695 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.6 tp -149.31 130.16 14.24 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.099 -1.0 . . . . 0.35 109.5 -179.935 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.51 132.7 33.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 1.37 109.401 179.927 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.593 HD12 ' CD1' ' D' ' 338' ' ' PHE . 27.8 mt -124.07 116.2 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 0.48 109.572 179.823 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.96 139.13 42.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 2.08 109.181 179.648 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.56 134.6 7.5 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.706 -1.358 . . . . 0.4 109.706 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -77.34 -63.53 1.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.316 -1.108 . . . . 2.64 109.292 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.88 -38.32 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.371 -0.831 . . . . 2.22 109.833 -179.612 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.802 HH12 HD22 ' B' ' 348' ' ' LEU . 11.2 tpp180 -63.06 -46.15 88.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.227 -0.92 . . . . 2.74 109.56 -179.886 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.3 t80 -53.43 -50.93 64.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.349 -0.844 . . . . 0.43 109.729 -179.93 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -52.58 -39.15 61.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.875 . . . . 1.69 110.016 -179.732 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.9 -47.99 82.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.238 -0.914 . . . . 0.43 110.3 -179.094 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 25.0 m-85 -60.35 -54.57 44.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.145 -0.972 . . . . 0.27 109.224 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.2 -36.51 31.0 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.45 109.304 179.697 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.27 -48.22 82.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 1.75 109.713 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 344' ' ' LEU . 91.6 mt -60.67 -40.56 92.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.865 . . . . 0.31 109.413 -179.52 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.429 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.3 t30 -58.31 -47.8 82.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 1.22 109.507 179.802 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -35.29 79.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 1.73 109.868 -179.782 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.52 -49.58 76.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.28 109.84 -179.698 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' B' ' 337' ' ' ARG . 49.3 mt -62.16 -41.26 98.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.31 109.692 -179.715 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.51 -37.42 81.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.139 -0.976 . . . . 1.91 109.746 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.92 HD21 ' NE2' ' C' ' 354' ' ' GLN . 8.9 tp -63.94 -44.3 93.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.43 109.711 -179.806 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.22 -42.61 99.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.57 109.016 179.923 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.71 -31.98 62.94 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.537 -0.727 . . . . 1.44 109.57 179.698 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.98 81.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.91 . . . . 0.64 109.489 -179.878 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.723 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.21 109.693 179.898 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.203 0.525 . . . . 1.7 109.629 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.68 17.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.61 109.453 179.897 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.3 m-85 -140.47 -171.89 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 0.58 109.58 -179.934 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 6.1 p -153.24 159.63 42.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.42 109.383 -179.799 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.5 tp -149.1 130.59 14.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.36 109.597 -179.791 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.264 -0.898 . . . . 1.37 109.452 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.4 mt -124.02 119.05 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.973 . . . . 0.47 109.701 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 12.9 ttt180 -74.02 154.29 39.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.1 109.5 179.774 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.69 137.11 4.21 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.876 -1.29 . . . . 0.42 109.876 179.679 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.91 -52.24 7.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -1.201 . . . . 2.68 109.388 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -58.02 -46.22 85.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 2.22 109.276 179.858 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.56 -40.87 93.18 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.303 -0.873 . . . . 2.77 109.337 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' C' ' 329' ' ' THR . 41.4 t80 -55.39 -55.58 30.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 0.43 109.564 -179.948 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.22 -32.5 24.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.324 -0.86 . . . . 1.66 109.865 -179.788 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 8.9 ttp -64.24 -50.81 66.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.2 -0.937 . . . . 0.44 109.953 -179.616 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.533 ' HB2' HD13 ' A' ' 332' ' ' ILE . 42.9 m-85 -61.14 -55.93 26.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.29 109.214 -179.931 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.22 -33.46 27.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 2.44 109.437 179.766 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 340' ' ' MET . 1.6 tt0 -61.27 -50.18 74.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.318 -0.864 . . . . 1.74 109.555 -179.892 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' B' ' 344' ' ' LEU . 87.9 mt -61.37 -35.04 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 0.3 108.967 179.728 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.45 65.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 1.22 109.435 179.599 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.81 -32.6 73.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.413 -0.804 . . . . 1.72 109.791 -179.866 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.48 -52.79 63.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.171 -0.956 . . . . 0.27 109.923 -179.692 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.425 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 32.4 mt -61.16 -43.01 99.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.29 109.544 -179.652 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.54 -35.62 74.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 1.91 109.658 -179.966 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.81 -43.22 93.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.281 -0.887 . . . . 0.41 109.24 179.943 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.1 ttmm -61.43 -47.76 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.89 -0.782 . . . . 1.56 108.89 179.751 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.76 -30.88 65.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.504 -0.747 . . . . 1.43 109.352 179.574 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.99 -33.37 75.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.454 -0.779 . . . . 0.66 109.608 -179.817 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 1.18 109.381 179.912 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.229 0.538 . . . . 1.61 109.558 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.03 154.62 17.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 0.57 109.459 179.884 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -140.35 -171.94 3.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.53 109.601 -179.888 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 6.1 p -153.2 159.71 42.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.38 109.431 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -149.1 130.57 14.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.36 109.562 -179.718 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.46 129.9 34.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 1.36 109.499 -179.983 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.4 mt -124.04 118.97 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.013 . . . . 0.49 109.682 179.948 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 12.9 ttt180 -73.97 154.28 39.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 2.1 109.508 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.66 137.09 4.19 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.677 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.8 -52.32 7.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -1.124 . . . . 2.72 109.444 179.816 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.98 -46.17 85.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.21 109.316 179.862 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -40.96 93.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.381 -0.824 . . . . 2.79 109.385 179.872 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.16 -55.65 28.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.745 . . . . 0.45 109.627 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -51.33 -32.46 25.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -0.838 . . . . 1.68 109.812 -179.758 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.78 66.7 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.668 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' B' ' 332' ' ' ILE . 42.7 m-85 -61.08 -55.96 26.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.352 -0.843 . . . . 0.28 109.226 -179.893 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.33 -33.32 28.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.406 -0.809 . . . . 2.52 109.464 179.792 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.28 -50.3 73.57 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.19 -0.944 . . . . 1.75 109.502 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' A' ' 344' ' ' LEU . 88.4 mt -61.32 -34.98 76.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.31 109.029 179.704 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.5 t-20 -58.94 -52.42 65.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.402 -0.811 . . . . 1.21 109.318 179.608 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.9 -32.53 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.452 -0.78 . . . . 1.69 109.751 -179.775 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.65 -52.64 64.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.27 109.868 -179.619 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.44 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 32.6 mt -61.22 -42.97 99.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 0.3 109.541 -179.727 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.54 -35.74 74.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.93 109.57 -179.951 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.699 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.87 -43.07 94.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.368 -0.832 . . . . 0.4 109.258 -179.954 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.2 ttmm -61.43 -47.8 84.1 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.891 -0.781 . . . . 1.59 108.891 179.746 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.71 -30.88 65.89 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.599 -0.688 . . . . 1.43 109.392 179.522 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.32 75.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.65 109.52 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.4 ' NE2' HD11 ' A' ' 350' ' ' LEU . 17.9 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.217 -0.927 . . . . 1.19 109.352 179.923 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.226 0.536 . . . . 2.11 109.603 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.87 154.62 17.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.64 109.585 179.804 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.8 m-85 -140.38 -171.93 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.105 -0.997 . . . . 0.49 109.636 -179.898 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 6.3 p -153.22 159.55 42.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.279 -0.888 . . . . 0.47 109.465 -179.834 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -149.08 130.67 14.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.42 109.541 -179.789 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.5 129.89 34.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.81 109.487 -179.996 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 41.9 mt -124.07 119.02 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.187 -0.946 . . . . 0.42 109.679 179.899 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 12.9 ttt180 -73.99 154.37 39.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 2.35 109.567 179.748 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.59 137.07 4.14 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.917 -1.273 . . . . 0.41 109.917 179.78 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.77 -52.39 7.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.106 . . . . 2.59 109.437 179.802 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.92 -46.27 85.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 2.54 109.225 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -40.99 93.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.31 -0.869 . . . . 3.39 109.284 179.952 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -55.18 -55.67 28.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 0.47 109.579 -179.937 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.36 -32.4 25.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 1.66 109.849 -179.718 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 8.8 ttp -64.23 -50.74 66.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.139 -0.976 . . . . 0.61 110.01 -179.682 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' C' ' 332' ' ' ILE . 42.8 m-85 -61.07 -56.08 25.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.33 109.172 -179.956 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.09 -33.38 25.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 3.28 109.553 179.749 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' C' ' 340' ' ' MET . 1.6 tt0 -61.34 -50.21 73.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.904 . . . . 1.78 109.519 -179.889 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' D' ' 344' ' ' LEU . 87.8 mt -61.49 -34.8 76.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.226 -0.921 . . . . 0.38 109.0 179.815 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.5 t-20 -59.01 -52.43 65.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.382 -0.823 . . . . 1.2 109.422 179.487 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.76 -32.68 73.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.371 -0.831 . . . . 2.12 109.817 -179.89 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -52.68 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.26 109.942 -179.658 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.426 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 32.8 mt -61.31 -42.89 99.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 0.4 109.571 -179.726 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.49 -35.71 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 2.09 109.598 179.953 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.92 -43.08 93.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.75 109.278 -179.941 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -61.33 -47.78 84.33 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.45 -0.781 . . . . 2.19 108.992 179.626 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.79 -30.81 65.98 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.567 -0.708 . . . . 1.34 109.408 179.549 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -33.31 75.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.469 -0.769 . . . . 0.72 109.524 -179.773 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.486 ' NE2' HD11 ' D' ' 350' ' ' LEU . 18.1 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.8 109.376 179.864 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.575 -0.528 . . . . 1.67 109.575 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -94.99 154.52 17.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.61 109.565 179.795 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 66.9 m-85 -140.32 -171.9 3.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 0.56 109.537 -179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 6.1 p -153.22 159.6 42.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.43 109.439 -179.819 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.2 tp -149.08 130.56 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.35 109.62 -179.804 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 129.96 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.343 -0.848 . . . . 1.37 109.517 179.96 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' D' ' 341' ' ' PHE . 40.8 mt -124.09 118.91 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.224 -0.923 . . . . 0.48 109.72 179.969 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 12.9 ttt180 -73.93 154.41 39.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 2.08 109.5 179.8 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.55 137.04 4.1 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.92 -1.272 . . . . 0.4 109.92 179.681 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.89 -52.2 7.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -1.112 . . . . 2.64 109.372 179.932 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.04 -46.24 85.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 2.22 109.351 179.827 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -41.06 93.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.354 -0.841 . . . . 2.74 109.266 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.6 t80 -55.24 -55.64 29.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 0.43 109.551 -179.922 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -51.33 -32.4 25.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.69 109.81 -179.71 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.87 66.34 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.153 -0.967 . . . . 0.43 109.936 -179.681 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.539 ' HB2' HD13 ' D' ' 332' ' ' ILE . 42.7 m-85 -61.09 -56.02 25.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.27 109.158 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.23 -33.33 27.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 2.45 109.43 179.814 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.33 -50.26 73.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -0.935 . . . . 1.75 109.494 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' C' ' 344' ' ' LEU . 88.1 mt -61.44 -34.97 76.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -0.876 . . . . 0.31 108.903 179.77 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.43 65.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.374 -0.829 . . . . 1.22 109.42 179.565 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.86 -32.54 73.79 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.49 -0.756 . . . . 1.73 109.756 -179.772 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.53 -52.79 63.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.28 109.927 -179.65 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 32.1 mt -61.15 -42.89 99.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -0.937 . . . . 0.31 109.62 -179.719 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.68 -35.58 74.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.235 -0.916 . . . . 1.91 109.637 -179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.86 -43.16 93.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.43 109.145 -179.973 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -61.4 -47.82 84.04 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.38 -0.825 . . . . 1.57 108.953 179.711 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.76 -30.89 65.98 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.537 -0.727 . . . . 1.44 109.353 179.582 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.37 75.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.367 -0.833 . . . . 0.64 109.608 -179.785 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.194 -0.941 . . . . 1.21 109.451 179.851 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.283 0.563 . . . . 1.7 109.613 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.13 159.52 15.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.61 109.439 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.3 m-85 -139.48 -169.91 2.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 0.58 109.493 -179.892 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 5.9 p -153.9 159.61 41.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.42 109.521 -179.776 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.98 129.98 14.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.36 109.429 -179.855 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 43.1 tt0 -87.14 128.21 35.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.314 -0.866 . . . . 1.37 109.753 -179.929 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.3 mt -124.23 115.9 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.47 109.563 179.737 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -73.88 150.71 40.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 2.1 109.568 179.929 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 95.12 133.6 7.34 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.824 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.0 ttt180 -76.85 -58.12 3.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.118 . . . . 2.68 109.356 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.99 -42.54 90.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.4 -0.813 . . . . 2.22 109.37 179.898 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.9 OUTLIER -60.5 -46.62 89.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.296 -0.878 . . . . 2.77 109.424 -179.883 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.6 t80 -55.73 -51.34 67.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.43 109.606 179.923 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.56 20.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 1.66 109.702 -179.811 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.81 -49.8 73.5 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.256 -0.903 . . . . 0.44 109.865 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -60.95 -54.8 40.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.194 -0.941 . . . . 0.29 109.151 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.51 23.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.467 -0.771 . . . . 2.44 109.525 179.833 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.95 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.919 . . . . 1.74 109.698 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' B' ' 344' ' ' LEU . 97.3 mt -61.34 -33.97 74.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.944 . . . . 0.3 109.103 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.642 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.7 t-20 -59.63 -51.13 71.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.841 . . . . 1.22 109.464 179.741 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 1.72 109.759 -179.736 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.62 -47.79 84.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.263 -0.898 . . . . 0.27 110.045 -179.626 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.546 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 57.0 mt -61.55 -45.38 94.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.29 109.784 -179.608 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.5 -35.3 75.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 1.91 109.634 179.92 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.85 -47.46 77.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.289 -0.882 . . . . 0.41 109.79 -179.82 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.68 -41.34 97.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.336 -0.852 . . . . 1.56 109.037 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.25 -34.33 68.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.65 -0.656 . . . . 1.43 109.565 179.644 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.54 89.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.66 109.354 -179.963 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.91 . . . . 1.18 109.601 179.892 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.286 0.565 . . . . 1.61 109.552 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 12.5 m-85 -93.16 159.46 15.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 0.57 109.469 179.869 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.2 m-85 -139.47 -169.89 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.53 109.574 -179.916 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 5.8 p -153.96 159.62 41.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.187 -0.946 . . . . 0.38 109.488 -179.837 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -148.98 130.02 14.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.36 109.402 -179.885 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 43.1 tt0 -87.09 128.25 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 1.36 109.751 -179.917 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.564 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.4 mt -124.22 115.87 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.49 109.534 179.728 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -73.79 150.72 40.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 2.1 109.631 179.831 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.507 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.03 133.66 7.33 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.715 -1.354 . . . . 0.44 109.715 179.746 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.1 ttt180 -76.79 -58.08 3.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -1.12 . . . . 2.72 109.442 179.882 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.9 -42.67 90.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 2.21 109.394 179.795 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.9 OUTLIER -60.47 -46.63 89.39 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.267 -0.896 . . . . 2.79 109.439 -179.887 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.4 t80 -55.74 -51.41 67.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.45 109.529 -179.984 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.79 -34.64 20.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.851 . . . . 1.68 109.661 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -62.87 -49.71 73.79 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.102 -0.999 . . . . 0.43 109.803 -179.664 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.04 -54.82 40.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.204 -0.935 . . . . 0.28 109.087 -179.976 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.55 23.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.443 -0.785 . . . . 2.52 109.484 179.896 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.86 -51.92 67.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 1.75 109.783 -179.894 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 344' ' ' LEU . 97.4 mt -61.25 -34.05 74.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.229 -0.919 . . . . 0.31 109.058 179.935 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.62 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.7 t-20 -59.59 -51.18 70.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.428 -0.795 . . . . 1.21 109.482 179.755 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.66 81.08 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.356 -0.84 . . . . 1.69 109.773 -179.742 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.7 -47.74 84.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.27 109.993 -179.568 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.0 mt -61.5 -45.49 93.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.3 109.829 -179.661 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.43 -35.33 75.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 1.93 109.731 179.913 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.84 -47.41 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.4 109.715 -179.731 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.69 -41.42 97.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 1.59 108.994 179.929 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -34.45 68.38 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.47 -0.769 . . . . 1.43 109.506 179.627 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.47 89.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.65 109.271 -179.79 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.818 . . . . 1.19 109.622 179.853 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 121.307 0.575 . . . . 2.11 109.634 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.25 159.44 15.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.237 -0.914 . . . . 0.64 109.453 179.904 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.1 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.49 109.524 -179.939 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . 0.44 HG23 ' O ' ' C' ' 328' ' ' PHE . 6.0 p -153.81 159.62 41.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 0.47 109.539 -179.851 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.4 tp -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.42 109.446 -179.864 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.06 128.26 35.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.231 -0.918 . . . . 1.81 109.773 -179.926 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' C' ' 341' ' ' PHE . 29.4 mt -124.27 115.76 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.42 109.598 179.748 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -73.71 150.66 41.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 2.35 109.621 179.953 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 95.01 133.71 7.35 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.719 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.2 ttt180 -76.77 -58.18 3.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -1.161 . . . . 2.59 109.399 179.922 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.79 -42.78 89.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 2.54 109.369 179.839 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.9 OUTLIER -60.43 -46.54 89.64 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.373 -0.829 . . . . 3.39 109.451 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.5 t80 -55.79 -51.33 67.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.47 109.606 179.958 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.45 20.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.66 109.781 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.95 -49.73 73.58 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.131 -0.981 . . . . 0.61 109.794 -179.741 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.9 m-85 -60.95 -54.85 39.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.147 -0.97 . . . . 0.33 109.169 179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.19 -34.54 23.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.382 -0.824 . . . . 3.28 109.591 179.778 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.93 -51.85 67.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 1.78 109.758 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' D' ' 344' ' ' LEU . 97.4 mt -61.21 -34.13 74.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.38 109.153 179.814 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.7 t-20 -59.56 -51.16 71.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.49 -0.756 . . . . 1.2 109.535 179.71 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -35.65 81.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.844 . . . . 2.12 109.781 -179.733 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.61 -47.8 84.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.26 109.996 -179.675 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 57.5 mt -61.52 -45.46 94.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.881 . . . . 0.4 109.768 -179.544 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.48 -35.39 75.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.213 -0.929 . . . . 2.09 109.571 179.986 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.531 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 13.4 tp -64.85 -47.43 77.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.75 109.71 -179.681 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.67 -41.4 97.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.897 . . . . 2.19 108.984 179.938 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.499 -0.75 . . . . 1.34 109.588 179.655 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.47 -41.36 89.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.72 109.378 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.8 109.618 179.825 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.301 0.572 . . . . 1.67 109.65 . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.25 159.51 15.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.61 109.284 -179.95 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.9 m-85 -139.49 -169.8 2.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.322 -0.861 . . . . 0.56 109.517 -179.94 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 5.8 p -153.94 159.63 41.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.43 109.428 -179.774 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.04 130.01 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.187 -0.946 . . . . 0.35 109.446 -179.969 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.15 128.24 35.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.177 -0.952 . . . . 1.37 109.704 -179.816 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -124.18 115.85 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.48 109.537 179.8 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.516 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -73.81 150.68 40.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 2.08 109.639 179.857 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.516 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.05 133.73 7.37 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.789 -1.324 . . . . 0.4 109.789 179.798 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.0 ttt180 -76.92 -58.01 3.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -1.123 . . . . 2.64 109.453 179.807 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.93 -42.73 90.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 2.22 109.429 179.793 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.9 OUTLIER -60.34 -46.69 89.01 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.335 -0.853 . . . . 2.74 109.385 -179.851 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.3 t80 -55.76 -51.37 67.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.43 109.555 -179.961 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.85 -34.52 20.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.378 -0.826 . . . . 1.69 109.745 -179.859 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.99 -49.64 73.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.186 -0.946 . . . . 0.43 109.766 -179.612 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.7 m-85 -60.93 -54.87 39.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.27 109.167 179.938 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.18 -34.59 23.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.445 -0.784 . . . . 2.45 109.555 179.824 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.91 67.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 1.75 109.757 -179.863 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' C' ' 344' ' ' LEU . 96.8 mt -61.24 -34.02 74.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.31 109.1 179.899 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.672 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.7 t-20 -59.7 -51.11 71.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 1.22 109.509 179.751 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.323 -0.861 . . . . 1.73 109.743 -179.763 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.68 -47.76 84.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.28 110.03 -179.598 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 57.2 mt -61.46 -45.47 94.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.31 109.77 -179.63 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -35.26 75.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.91 109.658 179.969 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 13.6 tp -64.88 -47.32 78.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.43 109.815 -179.838 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.6 -41.51 97.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 1.57 109.007 179.89 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.17 -34.33 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.536 -0.727 . . . . 1.44 109.572 179.683 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.5 89.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.872 . . . . 0.64 109.39 -179.92 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.381 -0.824 . . . . 1.21 109.67 179.83 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.451 -0.574 . . . . 1.7 109.451 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.9 m-85 -94.89 149.44 21.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.895 . . . . 0.61 109.506 179.846 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.4 m-85 -139.12 -168.98 2.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 0.58 109.772 -179.783 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 26.2 p -152.91 156.7 39.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.265 -0.897 . . . . 0.42 109.348 -179.721 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.05 136.21 19.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.15 -0.969 . . . . 0.36 109.634 -179.552 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 40.5 tt0 -86.53 132.19 33.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.822 . . . . 1.37 109.149 179.625 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.83 120.34 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.47 109.591 -179.896 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.91 152.37 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.337 -0.852 . . . . 2.1 109.51 179.869 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.06 2.65 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.776 -1.33 . . . . 0.42 109.776 179.657 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttm180 -81.94 -50.1 9.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -1.16 . . . . 2.68 109.452 179.787 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.58 -46.0 87.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.402 -0.811 . . . . 2.22 109.45 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.99 -41.26 96.13 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.314 -0.866 . . . . 2.77 109.385 -179.955 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 71.5 t80 -55.32 -56.51 19.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.535 -0.728 . . . . 0.43 109.721 -179.938 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.44 -35.43 39.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.828 . . . . 1.66 110.027 -179.782 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.9 -47.22 84.21 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.245 -0.91 . . . . 0.44 109.871 -179.584 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.58 -49.15 77.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 0.29 109.24 -179.996 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.37 -40.32 58.93 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.65 179.783 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.63 -42.81 97.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.74 109.831 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.08 -45.61 92.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -0.883 . . . . 0.3 109.542 -179.753 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.87 -46.2 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.34 -0.85 . . . . 1.22 109.795 -179.953 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -35.97 80.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 1.72 109.789 -179.628 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.09 -53.02 63.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.188 -0.945 . . . . 0.27 109.696 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.58 -36.3 80.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.29 109.258 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.323 -0.86 . . . . 1.91 109.535 179.914 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.422 HD21 ' NE2' ' B' ' 354' ' ' GLN . 19.7 tp -63.29 -43.94 96.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.41 109.454 -179.928 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -61.77 -47.55 84.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.346 -0.846 . . . . 1.56 109.033 179.844 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -28.6 59.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.642 -0.661 . . . . 1.43 109.465 179.614 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -46.29 81.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 0.66 109.488 -179.779 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.18 109.52 179.832 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.434 -0.58 . . . . 1.61 109.434 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.8 m-85 -94.98 149.37 21.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.57 109.484 179.814 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 69.4 m-85 -138.95 -169.01 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.281 -0.887 . . . . 0.53 109.774 -179.727 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 26.3 p -152.82 156.9 39.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.38 109.349 -179.818 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.21 136.11 19.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.36 109.705 -179.617 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 40.7 tt0 -86.45 132.25 33.98 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.378 -0.827 . . . . 1.36 109.117 179.661 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.6 mt -123.9 120.35 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.967 . . . . 0.49 109.558 -179.895 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.78 152.38 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.303 -0.873 . . . . 2.1 109.538 179.797 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.47 137.09 2.6 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.881 -1.288 . . . . 0.44 109.881 179.626 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.407 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttm180 -81.93 -50.04 9.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -1.142 . . . . 2.72 109.457 179.896 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.63 -45.82 88.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 2.21 109.515 179.913 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.408 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 4.0 ttm180 -61.07 -41.36 96.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.324 -0.86 . . . . 2.79 109.39 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' B' ' 332' ' ' ILE . 72.1 t80 -55.17 -56.64 17.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.54 -0.725 . . . . 0.45 109.711 179.991 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.46 -35.42 39.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.388 -0.82 . . . . 1.68 110.005 -179.668 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.79 -47.32 83.97 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.007 -1.058 . . . . 0.43 109.834 -179.596 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.64 -49.01 78.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.28 109.213 -179.871 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -51.53 -40.17 59.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 2.52 109.59 179.858 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.74 -42.75 97.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.75 109.838 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.1 -45.54 93.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 0.31 109.576 -179.773 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -58.03 -46.08 85.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 1.21 109.674 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.07 81.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.331 -0.856 . . . . 1.69 109.768 -179.632 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -53.07 62.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 0.27 109.642 -179.729 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.449 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 17.3 mt -61.58 -36.15 79.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.3 109.399 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.23 83.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.916 . . . . 1.93 109.453 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.26 -43.84 96.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.4 109.542 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.8 -47.46 85.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -0.818 . . . . 1.59 109.055 179.762 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.58 -28.65 60.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.524 -0.735 . . . . 1.43 109.376 179.687 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.41 81.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.394 -0.816 . . . . 0.65 109.439 -179.755 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.422 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 1.19 109.584 179.793 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.393 -0.595 . . . . 2.11 109.393 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 9.1 m-85 -94.93 149.41 21.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.64 109.401 179.862 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.4 m-85 -139.0 -168.93 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.49 109.728 -179.8 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -152.82 157.04 40.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.47 109.302 -179.766 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.42 136.19 19.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.42 109.588 -179.597 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 40.5 tt0 -86.58 132.2 33.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.348 -0.845 . . . . 1.81 109.089 179.723 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.2 mt -123.78 120.22 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.42 109.716 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.75 152.4 40.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 2.35 109.544 179.854 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.5 137.11 2.62 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.675 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.49 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttm180 -82.0 -50.11 9.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -1.154 . . . . 2.59 109.362 179.95 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.53 -46.15 87.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 2.54 109.356 179.986 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.9 -41.24 95.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 3.39 109.333 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CD1' HD12 ' C' ' 332' ' ' ILE . 71.4 t80 -55.37 -56.5 19.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.47 109.708 -179.942 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.49 -35.49 40.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 1.66 109.957 -179.748 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.73 -47.37 83.88 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.142 -0.974 . . . . 0.61 109.89 -179.599 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.41 -49.16 77.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.33 109.312 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.47 -40.29 59.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.475 -0.766 . . . . 3.28 109.65 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.5 -42.89 97.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.187 -0.945 . . . . 1.78 109.906 -179.764 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 344' ' ' LEU . 91.2 mt -62.02 -45.56 93.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.38 109.624 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.95 -46.19 85.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.822 . . . . 1.2 109.787 -179.949 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -36.1 80.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 2.12 109.877 -179.758 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.04 62.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.944 . . . . 0.26 109.669 -179.697 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.68 -36.12 79.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 0.4 109.361 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.31 -38.14 82.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 2.09 109.551 179.826 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.421 HD21 ' NE2' ' D' ' 354' ' ' GLN . 19.7 tp -63.24 -43.93 96.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.75 109.545 -179.976 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.75 -47.48 85.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 2.19 109.068 179.837 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.45 -28.83 60.66 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.566 -0.709 . . . . 1.34 109.355 179.636 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.51 81.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.72 109.491 -179.734 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.471 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 1.8 109.558 179.839 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.386 -0.598 . . . . 1.67 109.386 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.9 m-85 -94.97 149.49 21.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.962 . . . . 0.61 109.435 179.833 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HG3' ' B' ' 331' ' ' GLN . 69.5 m-85 -139.08 -169.04 2.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.56 109.709 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 26.1 p -152.71 157.02 40.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.43 109.347 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.3 136.15 19.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 0.35 109.601 -179.579 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 40.6 tt0 -86.55 132.14 33.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.378 -0.826 . . . . 1.37 109.204 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.84 120.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.48 109.611 -179.874 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.77 152.33 40.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.45 -0.781 . . . . 2.08 109.649 179.804 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.16 2.68 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.8 ttm180 -82.04 -50.06 9.52 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -1.096 . . . . 2.64 109.39 179.929 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.55 -46.11 87.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 2.22 109.406 179.921 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.449 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 4.0 ttm180 -60.94 -41.29 95.98 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.296 -0.877 . . . . 2.74 109.407 -179.913 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' D' ' 332' ' ' ILE . 71.7 t80 -55.28 -56.54 18.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.498 -0.751 . . . . 0.43 109.71 -179.97 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.53 -35.42 40.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 1.69 109.982 -179.714 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.76 -47.34 83.95 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.136 -0.977 . . . . 0.43 109.875 -179.654 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -49.0 78.36 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.271 -0.893 . . . . 0.27 109.296 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.51 -40.22 59.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 2.45 109.599 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.69 -42.73 97.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 1.75 109.896 -179.682 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 344' ' ' LEU . 90.6 mt -62.0 -45.68 92.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.31 109.555 -179.848 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.93 -46.18 85.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.391 -0.818 . . . . 1.22 109.727 -179.858 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -36.13 81.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 1.73 109.862 -179.688 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -53.05 62.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.28 109.688 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.408 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 17.4 mt -61.66 -36.1 79.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 0.31 109.368 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.19 82.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.326 -0.859 . . . . 1.91 109.464 179.823 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.471 HD21 ' NE2' ' C' ' 354' ' ' GLN . 19.5 tp -63.18 -43.89 96.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.43 109.565 -179.914 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.95 -47.36 85.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.383 -0.823 . . . . 1.57 109.072 179.862 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.46 -28.7 60.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.626 -0.671 . . . . 1.44 109.442 179.517 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.34 81.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.64 109.475 -179.722 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.421 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 1.21 109.489 179.868 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.384 -0.598 . . . . 1.7 109.384 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.3 m-85 -93.72 158.49 15.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.61 109.527 -179.88 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.0 m-85 -138.24 -166.51 2.0 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.203 -0.935 . . . . 0.58 109.601 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.95 156.74 40.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.42 109.498 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.98 132.54 16.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.926 . . . . 0.36 109.585 -179.541 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 40.4 tt0 -86.64 127.24 34.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 1.37 109.414 179.97 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.8 117.43 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.47 109.622 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.0 OUTLIER -73.48 154.3 39.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 2.1 109.437 179.986 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.56 128.26 3.03 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.744 -1.342 . . . . 0.42 109.744 179.717 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -77.07 -52.41 9.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.308 -1.113 . . . . 2.68 109.261 179.807 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -59.41 -47.1 86.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.86 . . . . 2.22 109.479 179.877 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.94 -42.66 98.6 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.296 -0.877 . . . . 2.77 109.564 -179.903 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.04 -55.94 25.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.355 -0.841 . . . . 0.43 109.659 -179.88 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.62 -34.42 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.882 . . . . 1.66 109.848 -179.706 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.4 -49.08 75.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.145 -0.972 . . . . 0.44 110.088 -179.646 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.18 -53.24 59.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.306 -0.872 . . . . 0.29 109.299 -179.781 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.65 41.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.396 -0.815 . . . . 2.44 109.717 179.745 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.9 -44.97 96.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.74 109.864 -179.797 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.41 97.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.3 109.403 -179.887 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.01 -47.83 81.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.302 -0.874 . . . . 1.22 109.549 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -36.28 80.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.72 109.92 -179.703 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.24 -46.82 88.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.27 109.971 -179.731 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.91 -47.75 83.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.29 109.817 -179.558 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.14 -34.66 72.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.91 109.769 -179.782 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.86 -47.13 79.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.272 -0.892 . . . . 0.41 109.561 -179.861 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -61.18 -39.1 88.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.363 -0.836 . . . . 1.56 109.185 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -56.57 -40.39 75.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.443 -0.786 . . . . 1.43 109.557 179.698 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.87 68.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66 109.516 -179.954 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.688 ' NE2' HD11 ' B' ' 350' ' ' LEU . 8.9 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 1.18 109.718 -179.854 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.396 -0.594 . . . . 1.61 109.396 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.5 15.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.885 . . . . 0.57 109.567 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.54 2.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.53 109.564 -179.791 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 13.4 p -151.82 156.74 40.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.38 109.522 -179.687 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.3 tp -148.97 132.56 16.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.36 109.595 -179.628 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 40.4 tt0 -86.59 127.33 34.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.38 -0.825 . . . . 1.36 109.413 179.896 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 117.51 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.166 -0.959 . . . . 0.49 109.548 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.0 OUTLIER -73.52 154.27 39.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 2.1 109.523 179.925 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.48 128.31 3.02 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.762 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -77.06 -52.34 9.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -1.098 . . . . 2.72 109.256 179.875 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.47 -47.2 86.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 2.21 109.42 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.83 -42.69 98.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.279 -0.888 . . . . 2.79 109.591 -179.933 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -54.92 -56.06 23.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -0.83 . . . . 0.45 109.618 -179.898 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.57 -34.61 26.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 1.68 109.736 -179.619 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.24 -49.12 75.39 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.211 -0.93 . . . . 0.43 110.132 -179.586 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.07 -53.37 57.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.28 109.279 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.03 -36.82 41.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 2.52 109.524 179.872 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.74 -45.04 95.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.978 . . . . 1.75 109.897 -179.743 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.47 97.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.31 109.348 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -57.99 -47.83 81.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.395 -0.816 . . . . 1.21 109.588 179.911 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -36.41 81.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -0.862 . . . . 1.69 109.917 -179.698 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -46.76 88.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.27 109.915 -179.59 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.98 -47.58 84.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.207 -0.933 . . . . 0.3 109.888 -179.563 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.22 -34.71 72.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.885 . . . . 1.93 109.713 -179.84 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.688 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.1 tt -64.83 -47.1 79.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.4 109.578 -179.822 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 18.8 ttmm -61.21 -39.14 89.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.495 -0.753 . . . . 1.59 109.089 -179.999 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -56.64 -40.42 75.38 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.431 -0.793 . . . . 1.43 109.433 179.809 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.96 69.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 0.65 109.541 -179.971 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' A' ' 350' ' ' LEU . 9.1 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.173 -0.954 . . . . 1.19 109.779 -179.886 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.354 -0.61 . . . . 2.11 109.354 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 8.3 m-85 -93.67 158.45 15.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.908 . . . . 0.64 109.49 -179.859 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.5 2.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.49 109.599 -179.794 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.85 156.74 40.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.47 109.528 -179.68 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.92 132.66 16.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.908 . . . . 0.42 109.6 -179.652 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 40.4 tt0 -86.7 127.33 34.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.81 109.387 179.915 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.86 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.217 -0.927 . . . . 0.42 109.578 -179.964 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 1.0 OUTLIER -73.43 154.25 40.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.86 . . . . 2.35 109.541 179.898 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.6 128.31 3.06 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.721 -1.352 . . . . 0.41 109.721 179.706 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -77.17 -52.38 9.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.253 -1.145 . . . . 2.59 109.28 179.738 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.4 -47.15 86.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 2.54 109.415 179.819 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.85 -42.77 98.46 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.344 -0.848 . . . . 3.39 109.511 -179.867 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.93 -56.11 23.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.381 -0.825 . . . . 0.47 109.625 -179.809 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.43 -34.57 25.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 1.66 109.868 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.32 -49.07 75.4 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.267 -0.895 . . . . 0.61 110.121 -179.656 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.13 -53.37 57.84 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.28 -0.887 . . . . 0.33 109.286 -179.819 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.366 -0.834 . . . . 3.28 109.618 179.836 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.85 -45.07 95.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 1.78 109.794 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.9 mt -61.8 -41.35 97.63 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.246 -0.908 . . . . 0.38 109.389 -179.812 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.03 -47.79 82.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.4 -0.812 . . . . 1.2 109.622 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.43 81.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 2.12 109.822 -179.717 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.2 -46.78 88.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.26 110.04 -179.625 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.92 -47.71 83.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.4 109.889 -179.665 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.13 -34.72 72.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 2.09 109.722 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.736 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.1 tt -64.81 -47.18 78.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.75 109.584 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 18.8 ttmm -61.13 -39.12 88.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 2.19 109.132 -179.936 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.62 -40.4 75.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.376 -0.828 . . . . 1.34 109.485 179.743 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -29.75 68.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.352 -0.842 . . . . 0.72 109.543 -179.925 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' D' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.282 -0.886 . . . . 1.8 109.732 -179.892 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.422 -0.584 . . . . 1.67 109.422 . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 8.3 m-85 -93.68 158.48 15.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.61 109.532 -179.894 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.1 m-85 -138.27 -166.51 2.0 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.288 -0.882 . . . . 0.56 109.674 -179.754 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 329' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 13.6 p -151.91 156.64 40.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.43 109.518 -179.713 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.85 132.62 16.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.168 -0.957 . . . . 0.35 109.569 -179.602 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 331' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 40.5 tt0 -86.63 127.37 34.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.37 109.328 179.91 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.88 117.49 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.48 109.588 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.491 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.0 OUTLIER -73.56 154.32 39.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 2.08 109.515 179.921 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.47 128.43 3.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.781 -1.328 . . . . 0.4 109.781 179.769 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -77.16 -52.37 9.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.162 . . . . 2.64 109.306 179.792 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.46 -46.97 87.26 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 2.22 109.488 179.835 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -61.01 -42.69 98.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 2.74 109.512 -179.89 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -55.01 -55.97 25.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.43 109.63 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -50.57 -34.51 25.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.69 109.801 -179.658 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.37 -49.07 75.29 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.192 -0.942 . . . . 0.43 110.063 -179.575 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.1 -53.41 57.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.168 -0.958 . . . . 0.27 109.263 -179.837 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.69 41.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 2.45 109.555 179.908 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.93 -44.92 96.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.91 . . . . 1.75 109.837 -179.767 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.82 -41.43 97.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.31 109.372 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.97 -47.84 81.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.22 109.596 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -36.33 81.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 1.73 109.855 -179.686 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.36 -46.81 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.28 109.975 -179.679 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.81 -47.65 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.31 109.918 -179.668 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -59.16 -34.76 72.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 1.91 109.703 -179.772 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.643 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.88 -47.0 79.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.289 -0.882 . . . . 0.43 109.614 -179.758 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -61.25 -38.96 88.56 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.409 -0.807 . . . . 1.57 109.186 179.994 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.54 -40.6 75.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.399 -0.813 . . . . 1.44 109.521 179.647 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.78 68.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 0.64 109.662 -179.987 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.736 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.0 mt-30 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.21 109.703 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 14.3 tttt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.511 -0.551 . . . . 7.33 109.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 22.3 mttp 58.45 -168.1 0.14 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 7.21 109.438 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 1.6 ptpt 42.0 82.55 0.22 Allowed Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.336 -0.852 . . . . 6.47 109.689 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.33 -82.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.215 1.943 . . . . 4.53 110.383 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.8 128.32 33.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.133 -0.98 . . . . 4.35 109.445 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.53 129.19 34.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 2.48 109.346 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.51 160.81 51.27 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.575 -1.41 . . . . 0.98 109.575 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.6 130.96 49.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.34 -1.094 . . . . 1.7 109.475 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 18.8 m-85 -93.63 157.42 16.19 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.228 -0.92 . . . . 0.61 109.544 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 85.6 m-85 -139.11 -173.14 3.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.316 -0.865 . . . . 0.58 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.7 p -153.4 160.38 42.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.259 -0.901 . . . . 0.42 109.427 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -148.05 133.53 18.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.36 109.289 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.65 130.05 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 1.37 109.649 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.3 mt -123.82 110.8 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.47 109.394 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.29 146.01 45.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 2.1 109.52 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.2 127.73 5.49 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.42 109.772 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.2 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.47 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 22.5 pt-20 -58.05 -43.95 87.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.301 -0.875 . . . . 2.22 109.5 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 336' ' ' GLU . 0.5 OUTLIER -59.8 -40.51 88.59 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.357 -0.839 . . . . 2.77 109.651 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' C' ' 329' ' ' THR . 65.0 t80 -55.26 -53.69 52.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.341 -0.85 . . . . 0.43 109.865 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.69 -36.34 35.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 1.66 109.992 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.27 -50.78 68.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.95 . . . . 0.44 110.482 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -60.52 -52.25 65.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.29 109.341 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.89 -37.07 41.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.322 -0.861 . . . . 2.44 109.716 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.38 -50.79 72.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.18 -0.95 . . . . 1.74 109.846 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 344' ' ' LEU . 82.1 mt -60.88 -34.54 74.79 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.907 . . . . 0.3 108.927 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.88 -54.18 49.97 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.401 -0.812 . . . . 1.22 109.364 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.57 69.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.347 -0.846 . . . . 1.72 109.769 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.44 -61.04 2.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.318 -0.864 . . . . 0.27 110.046 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -39.05 85.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.289 -0.882 . . . . 0.29 109.485 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.03 -34.61 73.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 1.91 109.264 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.49 HD22 ' HD3' ' B' ' 351' ' ' LYS . 20.0 tp -64.91 -40.42 95.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.271 -0.893 . . . . 0.41 109.094 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -63.17 -52.54 61.96 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.689 0.756 . . . . 1.56 109.146 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.65 -30.66 63.59 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.662 -0.649 . . . . 1.43 109.841 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.85 91.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.324 -0.86 . . . . 0.66 109.866 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.448 ' NE2' HD21 ' B' ' 350' ' ' LEU . 1.7 mt-30 -81.96 -5.14 58.07 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -0.884 . . . . 1.18 109.803 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -17.83 61.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.124 -0.985 . . . . 1.23 109.673 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.97 -13.0 70.12 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.738 -1.345 . . . . 1.54 109.738 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.36 132.37 34.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.303 -1.116 . . . . 4.18 109.594 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.04 156.16 1.85 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.311 -0.868 . . . . 5.71 109.422 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.78 -1.95 7.7 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.355 2.036 . . . . 5.61 110.753 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.539 -1.425 . . . . 7.24 109.539 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.25 0.548 . . . . 7.34 109.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 22.5 mttp 58.55 -168.11 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 7.17 109.334 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 1.6 ptpt 41.97 82.67 0.22 Allowed Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.418 -0.801 . . . . 6.44 109.629 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.46 -82.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.346 2.03 . . . . 4.54 110.304 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.8 128.25 33.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.985 . . . . 4.32 109.464 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.46 129.19 34.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.17 -0.957 . . . . 2.47 109.378 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 160.68 50.88 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.574 -1.41 . . . . 0.95 109.574 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.61 131.01 49.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.233 -1.157 . . . . 1.61 109.452 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.56 157.52 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.57 109.483 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.5 m-85 -139.19 -173.32 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.203 -0.935 . . . . 0.53 109.414 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 39.3 p -153.25 160.42 42.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.38 109.513 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.4 tp -148.02 133.57 18.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.251 -0.905 . . . . 0.36 109.311 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.76 129.91 34.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 1.36 109.644 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.3 mt -123.71 111.06 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.218 -0.926 . . . . 0.49 109.411 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -73.51 145.93 45.24 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 2.1 109.417 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.31 127.75 5.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.745 -1.342 . . . . 0.44 109.745 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.2 ttt180 -72.55 -54.99 7.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.29 -1.124 . . . . 2.72 109.426 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 22.6 pt-20 -58.04 -43.79 87.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.326 -0.859 . . . . 2.21 109.564 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.402 ' N ' ' HG3' ' B' ' 336' ' ' GLU . 0.5 OUTLIER -59.96 -40.43 89.03 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.295 -0.878 . . . . 2.79 109.64 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.0 t80 -55.39 -53.63 53.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.842 . . . . 0.45 109.825 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -50.76 -36.29 35.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 1.68 109.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.25 -50.93 68.25 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.211 -0.93 . . . . 0.43 110.367 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.3 m-85 -60.42 -52.2 66.25 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.163 -0.96 . . . . 0.28 109.411 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -50.99 -37.07 42.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.379 -0.825 . . . . 2.52 109.611 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -59.37 -50.85 72.37 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.102 -0.999 . . . . 1.75 109.814 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' B' ' 344' ' ' LEU . 81.3 mt -60.87 -34.5 74.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.31 108.934 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.3 t-20 -58.86 -54.24 49.34 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.454 -0.779 . . . . 1.21 109.42 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.82 -28.55 69.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.391 -0.818 . . . . 1.69 109.821 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.44 -61.0 2.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.146 -0.971 . . . . 0.27 110.04 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.41 -38.95 85.66 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.357 -0.839 . . . . 0.3 109.441 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.12 -34.52 73.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 1.93 109.261 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.0 tp -64.91 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.382 -0.824 . . . . 0.4 109.096 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -63.13 -52.65 61.7 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.472 -0.767 . . . . 1.59 109.097 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.56 -30.73 63.47 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.76 -0.587 . . . . 1.43 109.874 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.79 91.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.65 109.872 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.7 mt-30 -82.04 -5.1 58.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.174 -0.954 . . . . 1.19 109.692 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -17.77 61.73 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.176 -0.952 . . . . 1.22 109.679 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.02 -12.9 70.16 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.779 -1.328 . . . . 1.53 109.779 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.39 132.38 34.47 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -1.174 . . . . 4.21 109.607 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.06 156.13 1.89 Allowed Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.234 -0.916 . . . . 5.68 109.402 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.8 -1.78 7.44 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.268 1.979 . . . . 5.57 110.777 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.473 -1.451 . . . . 7.2 109.473 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 14.3 tttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.458 -0.571 . . . . 8.96 109.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 22.5 mttp 58.5 -168.03 0.14 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.217 -0.927 . . . . 8.15 109.424 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 1.6 ptpt 41.94 82.58 0.22 Allowed Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.479 -0.763 . . . . 7.15 109.707 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.45 -82.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.247 1.965 . . . . 4.35 110.334 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.71 128.29 33.82 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.207 -0.933 . . . . 4.63 109.452 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.54 129.21 34.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 2.85 109.385 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.4 160.83 51.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.56 -1.416 . . . . 1.12 109.56 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.65 131.02 49.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.351 -1.088 . . . . 2.11 109.433 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 18.7 m-85 -93.64 157.56 16.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.64 109.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 85.8 m-85 -139.24 -173.33 3.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.49 109.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 39.7 p -153.19 160.51 42.84 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.131 -0.98 . . . . 0.47 109.461 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.3 tp -148.12 133.48 18.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.42 109.37 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.69 129.97 34.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.303 -0.873 . . . . 1.81 109.659 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' C' ' 341' ' ' PHE . 42.3 mt -123.77 110.9 27.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.42 109.445 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.33 145.96 45.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.88 . . . . 2.35 109.441 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.67 5.49 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.4 ttt180 -72.41 -54.99 7.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -1.134 . . . . 2.59 109.527 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 22.5 pt-20 -58.11 -43.93 87.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 2.54 109.517 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' C' ' 336' ' ' GLU . 0.5 OUTLIER -59.87 -40.37 88.42 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.212 -0.93 . . . . 3.39 109.621 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.0 t80 -55.4 -53.69 53.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.409 -0.807 . . . . 0.47 109.815 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.6 -36.29 34.27 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 1.66 110.071 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.38 -50.91 68.05 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.176 -0.952 . . . . 0.61 110.381 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.48 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -60.44 -52.31 65.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.33 109.288 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -50.89 -36.97 40.93 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.438 -0.789 . . . . 3.28 109.783 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.41 -50.76 72.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.101 -1.0 . . . . 1.78 109.846 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' C' ' 344' ' ' LEU . 81.5 mt -60.95 -34.48 74.8 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.22 -0.925 . . . . 0.38 108.937 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -58.84 -54.16 50.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.449 -0.782 . . . . 1.2 109.536 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.79 -28.47 69.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.436 -0.79 . . . . 2.12 109.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.57 -61.01 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.228 -0.92 . . . . 0.26 109.934 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.0 mt -60.48 -38.89 85.73 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.29 -0.881 . . . . 0.4 109.48 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.97 -34.59 73.49 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.316 -0.865 . . . . 2.09 109.288 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' C' ' 350' ' ' LEU . 20.0 tp -64.89 -40.45 95.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.75 109.076 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -52.54 61.76 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.641 0.734 . . . . 2.19 109.087 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.59 -30.7 63.5 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.664 -0.647 . . . . 1.34 109.867 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -41.78 91.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.72 109.928 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.509 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.7 mt-30 -82.06 -4.98 58.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.115 -0.991 . . . . 1.8 109.735 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.46 -17.86 61.74 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.167 -0.958 . . . . 1.39 109.648 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.99 -13.01 70.05 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.713 -1.355 . . . . 1.66 109.713 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -88.34 132.38 34.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -1.198 . . . . 4.45 109.633 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 156.16 1.92 Allowed Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.204 -0.935 . . . . 6.19 109.453 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.86 -1.73 7.4 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.346 2.031 . . . . 5.58 110.715 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.888 -1.507 . . . . 6.9 109.554 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 14.2 tttt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.212 0.53 . . . . 7.36 109.615 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 22.4 mttp 58.34 -168.05 0.14 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.272 -0.893 . . . . 7.15 109.47 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 1.6 ptpt 42.02 82.57 0.22 Allowed Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.497 -0.752 . . . . 6.5 109.722 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.43 -82.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.291 1.994 . . . . 4.5 110.302 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.5 mt -81.78 128.33 33.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 4.32 109.394 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.53 129.08 34.14 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 2.46 109.446 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.31 160.75 50.88 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.623 -1.391 . . . . 0.97 109.623 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.55 130.88 48.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.256 -1.143 . . . . 1.67 109.462 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 18.6 m-85 -93.57 157.46 16.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.282 -0.886 . . . . 0.61 109.491 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.0 m-85 -139.12 -173.31 3.55 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.874 . . . . 0.56 109.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.9 p -153.21 160.38 42.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.215 -0.928 . . . . 0.43 109.535 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' B' ' 329' ' ' THR . 20.3 tp -147.98 133.6 18.81 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 0.35 109.377 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.72 129.87 34.71 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.277 -0.89 . . . . 1.37 109.703 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' D' ' 341' ' ' PHE . 41.6 mt -123.65 110.84 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.153 -0.967 . . . . 0.48 109.46 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -73.32 145.87 45.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 2.08 109.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.27 127.76 5.52 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.3 ttt180 -72.46 -55.03 7.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -1.092 . . . . 2.64 109.497 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 22.5 pt-20 -58.08 -43.93 87.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.38 -0.825 . . . . 2.22 109.414 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' D' ' 336' ' ' GLU . 0.5 OUTLIER -59.84 -40.39 88.36 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.286 -0.884 . . . . 2.74 109.673 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.8 t80 -55.4 -53.73 52.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.297 -0.877 . . . . 0.43 109.834 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.54 -36.31 33.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.69 110.133 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -63.39 -50.8 68.45 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.1 -1.0 . . . . 0.43 110.444 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.49 -52.2 66.2 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.988 -1.07 . . . . 0.27 109.314 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.06 -36.99 42.89 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.406 -0.808 . . . . 2.45 109.67 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -59.31 -50.78 72.69 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.221 -0.925 . . . . 1.75 109.797 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 344' ' ' LEU . 81.2 mt -60.99 -34.53 74.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.202 -0.936 . . . . 0.31 108.876 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.477 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.3 t-20 -58.9 -54.18 50.07 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.414 -0.804 . . . . 1.22 109.373 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.84 -28.52 69.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 1.73 109.78 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.823 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -61.08 2.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 0.28 109.985 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.2 mt -60.34 -38.93 85.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.292 -0.88 . . . . 0.31 109.5 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.07 -34.53 73.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.277 -0.89 . . . . 1.91 109.28 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.509 HD21 ' NE2' ' C' ' 354' ' ' GLN . 20.0 tp -64.92 -40.49 95.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.451 -0.781 . . . . 0.43 109.06 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.2 OUTLIER -63.15 -52.58 61.9 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.501 -0.749 . . . . 1.57 109.161 179.672 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.53 -30.7 63.37 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.706 -0.622 . . . . 1.44 109.946 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.85 91.12 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 0.64 109.901 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.428 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.7 mt-30 -82.09 -4.98 58.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.964 . . . . 1.21 109.698 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.77 61.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.22 -0.925 . . . . 1.22 109.634 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.98 -13.05 69.98 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.708 -1.357 . . . . 1.5 109.708 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -88.25 132.43 34.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -1.157 . . . . 4.18 109.745 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.06 156.23 1.85 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 5.67 109.412 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -67.91 -1.74 7.46 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.287 1.991 . . . . 5.65 110.767 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 118.007 -1.44 . . . . 7.27 109.624 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.462 -0.57 . . . . 7.33 109.462 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.26 -89.95 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 7.21 109.351 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 319' ' ' LYS . 1.6 tttt 60.76 87.86 0.13 Allowed Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 6.47 109.595 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.04 -151.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.255 1.97 . . . . 4.53 110.183 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.5 137.96 37.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.171 -0.956 . . . . 4.35 109.507 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 0.6 OUTLIER -79.69 -164.43 0.65 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.311 -0.868 . . . . 2.48 109.529 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 159.44 52.31 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.61 -1.396 . . . . 0.98 109.61 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.42 143.06 46.64 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.284 -1.127 . . . . 1.7 109.454 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.76 152.15 19.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.61 109.405 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.1 m-85 -137.73 -168.29 2.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.207 -0.933 . . . . 0.58 109.486 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 328' ' ' PHE . 10.9 p -153.47 155.18 35.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.268 -0.895 . . . . 0.42 109.252 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.81 133.01 16.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.091 -1.005 . . . . 0.36 109.754 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 7.2 tt0 -85.71 133.02 34.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.883 . . . . 1.37 109.154 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 341' ' ' PHE . 38.9 mt -123.7 114.0 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.189 -0.944 . . . . 0.47 109.747 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.29 44.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.429 -0.794 . . . . 2.1 109.442 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.469 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 98.17 134.05 8.21 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.4 ttm180 -77.02 -60.79 2.22 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -1.102 . . . . 2.68 109.416 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.97 -38.55 76.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 2.22 109.22 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.86 -44.64 94.03 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.309 -0.869 . . . . 2.77 109.413 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -55.68 -53.58 54.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.434 -0.791 . . . . 0.43 109.724 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -50.86 -37.33 42.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.186 -0.946 . . . . 1.66 110.074 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.61 -50.9 67.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.135 -0.978 . . . . 0.44 110.599 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.406 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.6 m-85 -60.23 -51.36 69.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.137 -0.977 . . . . 0.29 109.388 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -50.65 -42.08 56.04 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.435 -0.79 . . . . 2.44 109.795 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -60.31 -42.23 95.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.174 -0.954 . . . . 1.74 109.919 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' B' ' 344' ' ' LEU . 49.5 mt -62.2 -45.02 95.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.19 -0.944 . . . . 0.3 109.444 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.9 -47.81 81.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.287 -0.883 . . . . 1.22 109.551 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.16 -32.87 73.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 1.72 109.582 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -52.64 64.27 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.301 -0.874 . . . . 0.27 109.745 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.1 -40.29 93.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.359 -0.838 . . . . 0.29 109.477 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.95 -38.22 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 1.91 109.584 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.7 OUTLIER -64.6 -41.72 96.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.34 -0.85 . . . . 0.41 109.231 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.728 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.29 -45.46 93.28 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.549 -0.908 . . . . 1.56 108.549 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.94 -29.75 60.63 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.244 -0.65 . . . . 1.43 109.244 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.83 95.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.449 -0.782 . . . . 0.66 109.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -82.93 -11.43 58.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 1.18 109.054 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.07 -3.98 29.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.368 -0.833 . . . . 1.23 109.493 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 38.82 2.98 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.922 -1.271 . . . . 1.54 109.922 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.94 127.01 35.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.144 -1.209 . . . . 4.18 109.17 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.39 159.94 0.6 Allowed Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.905 . . . . 5.71 109.518 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.85 127.17 21.61 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.295 1.996 . . . . 5.61 110.201 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.467 -1.453 . . . . 7.24 109.467 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' B' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.309 0.576 . . . . 7.34 109.514 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.16 -89.88 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.169 -0.957 . . . . 7.17 109.412 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' B' ' 319' ' ' LYS . 1.6 tttt 60.8 87.83 0.13 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.135 -0.978 . . . . 6.44 109.585 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -59.06 -151.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.182 1.921 . . . . 4.54 110.216 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.53 138.02 37.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.164 -0.96 . . . . 4.32 109.501 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 0.7 OUTLIER -79.66 -164.36 0.64 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.358 -0.839 . . . . 2.47 109.568 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.64 159.49 52.21 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.562 -1.415 . . . . 0.95 109.562 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.51 143.14 46.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.178 -1.189 . . . . 1.61 109.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -93.79 152.19 19.09 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.321 -0.862 . . . . 0.57 109.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.7 m-85 -137.78 -168.38 2.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.953 . . . . 0.53 109.632 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.401 HG23 ' O ' ' B' ' 328' ' ' PHE . 11.1 p -153.38 155.28 36.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.332 -0.855 . . . . 0.38 109.249 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.94 132.94 16.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.159 -0.963 . . . . 0.36 109.731 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 7.3 tt0 -85.65 133.09 34.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.201 -0.937 . . . . 1.36 109.195 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 38.8 mt -123.74 114.04 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.164 -0.96 . . . . 0.49 109.672 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 4.1 ttt180 -73.69 146.32 44.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.417 -0.802 . . . . 2.1 109.354 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.476 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 98.22 133.92 8.16 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.716 -1.353 . . . . 0.44 109.716 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.4 ttm180 -76.91 -60.93 2.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -1.132 . . . . 2.72 109.421 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.94 -38.29 75.68 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.391 -0.818 . . . . 2.21 109.281 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.99 -44.71 94.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.254 -0.904 . . . . 2.79 109.378 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -55.62 -53.69 53.38 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.428 -0.795 . . . . 0.45 109.683 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -50.77 -37.34 41.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.406 -0.809 . . . . 1.68 110.031 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 22.8 ttp -63.75 -50.78 67.71 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.098 -1.001 . . . . 0.43 110.453 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -60.37 -51.33 69.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.197 -0.939 . . . . 0.28 109.313 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.67 -42.09 56.27 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.436 -0.79 . . . . 2.52 109.77 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -60.21 -42.31 94.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.226 -0.922 . . . . 1.75 109.931 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' A' ' 344' ' ' LEU . 49.4 mt -62.18 -44.99 95.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.31 109.479 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.95 -47.74 82.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.436 -0.79 . . . . 1.21 109.539 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.81 73.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.391 -0.818 . . . . 1.69 109.572 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.778 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -52.58 64.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.27 109.822 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.11 -40.35 93.42 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.239 -0.913 . . . . 0.3 109.456 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -59.88 -38.23 81.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.286 -0.883 . . . . 1.93 109.53 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -64.72 -41.69 95.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.375 -0.828 . . . . 0.4 109.199 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.592 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -60.31 -45.44 93.38 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.577 -0.897 . . . . 1.59 108.577 179.55 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -55.97 -29.77 60.74 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.165 -0.68 . . . . 1.43 109.165 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.81 95.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.485 -0.76 . . . . 0.65 109.143 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.89 -11.39 58.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 1.19 109.076 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.01 -4.12 30.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.221 -0.924 . . . . 1.22 109.526 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 38.7 2.98 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.952 -1.259 . . . . 1.53 109.952 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.89 127.0 35.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.091 -1.241 . . . . 4.21 109.203 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 159.91 0.61 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.158 -0.964 . . . . 5.68 109.518 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.79 127.33 22.17 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.175 1.917 . . . . 5.57 110.205 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 117.986 -1.452 . . . . 7.2 109.512 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' C' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.292 0.568 . . . . 8.96 109.474 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.17 -89.83 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.246 -0.909 . . . . 8.15 109.385 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' C' ' 319' ' ' LYS . 1.6 tttt 60.76 87.83 0.13 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.163 -0.96 . . . . 7.15 109.58 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -59.11 -151.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.108 1.872 . . . . 4.35 110.24 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.51 138.04 37.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.189 -0.944 . . . . 4.63 109.476 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -79.78 -164.42 0.66 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.308 -0.87 . . . . 2.85 109.516 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 159.39 52.18 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.597 -1.401 . . . . 1.12 109.597 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.27 143.03 46.0 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.186 -1.185 . . . . 2.11 109.46 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -93.77 152.22 19.08 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.214 -0.929 . . . . 0.64 109.425 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -137.74 -168.43 2.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.49 109.589 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.416 HG23 ' O ' ' C' ' 328' ' ' PHE . 11.0 p -153.36 155.13 35.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.237 -0.914 . . . . 0.47 109.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.4 tp -149.85 132.99 16.31 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.42 109.684 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 7.2 tt0 -85.76 133.05 34.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 1.81 109.188 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.405 HD13 ' HB2' ' C' ' 341' ' ' PHE . 38.6 mt -123.65 113.93 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.112 -0.992 . . . . 0.42 109.724 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 4.0 ttt180 -73.54 146.32 44.88 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.381 -0.825 . . . . 2.35 109.45 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 98.22 133.97 8.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.688 -1.365 . . . . 0.41 109.688 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.488 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttm180 -77.05 -60.72 2.24 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.59 109.435 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.99 -38.42 76.08 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 2.54 109.243 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.91 -44.72 94.11 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.328 -0.857 . . . . 3.39 109.43 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -55.72 -53.53 55.51 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.373 -0.829 . . . . 0.47 109.731 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -50.78 -37.42 42.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.291 -0.881 . . . . 1.66 110.051 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.64 -50.79 67.91 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.192 -0.943 . . . . 0.61 110.604 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.4 m-85 -60.28 -51.45 69.5 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.123 -0.985 . . . . 0.33 109.298 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -50.63 -42.1 55.84 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.501 -0.749 . . . . 3.28 109.814 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -60.18 -42.38 94.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.19 -0.944 . . . . 1.78 109.936 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' D' ' 344' ' ' LEU . 49.5 mt -62.11 -44.98 95.46 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.38 109.537 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -57.86 -47.81 81.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.269 -0.895 . . . . 1.2 109.587 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.25 -32.78 73.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.426 -0.796 . . . . 2.12 109.565 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.76 -52.54 64.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.266 -0.896 . . . . 0.26 109.764 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.04 -40.39 93.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 0.4 109.494 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.85 -38.19 81.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.893 . . . . 2.09 109.605 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.671 HD12 ' HD3' ' D' ' 351' ' ' LYS . 0.7 OUTLIER -64.75 -41.61 95.79 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.75 109.296 -179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.35 -45.22 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.65 -0.87 . . . . 2.19 108.65 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -56.07 -29.82 61.09 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.143 -0.688 . . . . 1.34 109.143 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.7 94.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.378 -0.826 . . . . 0.72 109.181 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.98 -11.35 58.21 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.94 . . . . 1.8 109.088 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.11 -4.03 30.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.314 -0.866 . . . . 1.39 109.567 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 38.94 2.98 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.929 -1.268 . . . . 1.66 109.929 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -87.01 127.11 35.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.082 -1.246 . . . . 4.45 109.157 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.51 159.91 0.63 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 6.19 109.486 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.66 127.2 21.87 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.269 1.979 . . . . 5.58 110.285 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.985 -1.453 . . . . 6.9 109.578 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' D' ' 321' ' ' LYS . 5.6 mttt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.389 -0.597 . . . . 7.36 109.389 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.24 -89.93 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 7.15 109.446 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' D' ' 319' ' ' LYS . 1.6 tttt 60.79 87.9 0.13 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.269 -0.894 . . . . 6.5 109.507 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -59.08 -151.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.193 1.929 . . . . 4.5 110.203 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 29.2 mt -79.56 138.02 37.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 4.32 109.437 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 0.7 OUTLIER -79.76 -164.39 0.65 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.277 -0.89 . . . . 2.46 109.531 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 159.45 52.11 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.59 -1.404 . . . . 0.97 109.59 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.4 143.13 46.3 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -1.167 . . . . 1.67 109.418 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -93.86 152.11 19.11 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.21 -0.931 . . . . 0.61 109.449 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.5 m-85 -137.59 -168.3 2.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.909 . . . . 0.56 109.607 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.41 HG23 ' O ' ' D' ' 328' ' ' PHE . 11.0 p -153.44 155.21 35.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.238 -0.914 . . . . 0.43 109.171 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 20.5 tp -149.94 133.01 16.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.087 -1.008 . . . . 0.35 109.698 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 7.2 tt0 -85.74 132.97 34.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 1.37 109.166 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.409 HD13 ' HB2' ' D' ' 341' ' ' PHE . 38.5 mt -123.59 113.93 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.085 -1.01 . . . . 0.48 109.769 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 4.1 ttt180 -73.57 146.41 44.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 2.08 109.402 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 98.11 133.92 8.14 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.4 ttm180 -76.96 -60.93 2.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.217 -1.167 . . . . 2.64 109.369 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 2.22 109.235 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.87 -44.64 94.05 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.335 -0.853 . . . . 2.74 109.43 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -55.75 -53.59 54.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.444 -0.785 . . . . 0.43 109.673 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.87 -37.24 42.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.151 -0.968 . . . . 1.69 110.084 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 22.9 ttp -63.77 -50.83 67.48 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.196 -0.94 . . . . 0.43 110.479 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.409 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.2 m-85 -60.36 -51.31 70.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.27 109.339 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -50.6 -42.13 55.54 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.487 -0.758 . . . . 2.45 109.714 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.32 -42.31 95.33 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.198 -0.939 . . . . 1.75 109.836 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.641 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -62.15 -44.94 95.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.31 109.5 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -57.94 -47.89 81.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 1.22 109.496 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.06 -32.91 73.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 1.73 109.577 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -52.54 64.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -0.91 . . . . 0.28 109.718 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.0 mt -61.1 -40.45 93.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.327 -0.858 . . . . 0.31 109.458 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -59.73 -38.27 81.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.263 -0.898 . . . . 1.91 109.587 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.66 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -64.74 -41.66 95.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.336 -0.853 . . . . 0.43 109.21 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.671 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -60.3 -45.35 93.67 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.616 -0.883 . . . . 1.57 108.616 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -56.0 -29.8 60.86 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.248 -0.649 . . . . 1.44 109.248 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.83 95.54 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.385 -0.822 . . . . 0.64 109.129 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -82.91 -11.39 58.22 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.359 -0.838 . . . . 1.21 109.067 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.12 -3.93 29.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.326 -0.859 . . . . 1.22 109.51 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 38.78 2.99 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.897 -1.281 . . . . 1.5 109.897 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -86.94 127.06 35.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -1.179 . . . . 4.18 109.141 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 159.87 0.63 Allowed Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 5.67 109.499 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.66 127.27 22.1 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.217 1.944 . . . . 5.65 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.952 -1.471 . . . . 7.27 109.507 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.31 0.576 . . . . 7.33 109.48 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 319' ' ' LYS . 5.4 tttt 60.53 -87.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 7.21 109.632 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.434 ' O ' ' HG ' ' A' ' 323' ' ' LEU . 9.6 mttt 65.5 80.69 0.23 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 6.47 109.544 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.19 85.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.249 1.966 . . . . 4.53 110.082 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 321' ' ' LYS . 8.8 mt -81.58 7.04 13.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.304 -0.873 . . . . 4.35 109.747 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 11.4 m-20 -79.07 -174.13 3.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.186 -0.947 . . . . 2.48 109.606 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 166.38 46.34 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.638 -1.385 . . . . 0.98 109.638 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.71 147.11 34.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.235 -1.156 . . . . 1.7 109.625 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 10.5 m-85 -94.16 153.06 18.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.61 109.442 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.22 -167.0 2.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.188 -0.945 . . . . 0.58 109.742 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 3.6 p -153.23 159.65 42.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.137 -0.977 . . . . 0.42 109.616 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.0 tp -149.82 134.89 17.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.36 109.516 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.451 ' O ' ' ND2' ' C' ' 345' ' ' ASN . 12.7 tt0 -86.03 132.75 33.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.314 -0.867 . . . . 1.37 109.552 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.3 mt -124.01 118.96 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.47 109.524 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.425 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.5 OUTLIER -73.63 148.16 43.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.163 -0.96 . . . . 2.1 109.593 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.36 140.39 10.87 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.936 -1.266 . . . . 0.42 109.936 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.99 1.97 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 2.68 109.382 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -42.24 86.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.184 -0.947 . . . . 2.22 109.413 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.683 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.65 -40.67 92.88 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.246 -0.909 . . . . 2.77 109.453 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 33.6 t80 -55.14 -56.49 19.34 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.315 -0.866 . . . . 0.43 109.652 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -50.78 -32.06 18.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.66 109.833 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 25.2 ttp -63.08 -50.05 72.08 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.095 -1.003 . . . . 0.44 109.932 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.5 m-85 -60.91 -47.57 85.81 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.27 -0.894 . . . . 0.29 109.119 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.12 -42.86 60.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -0.837 . . . . 2.44 109.391 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -41.0 93.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 1.74 109.842 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' B' ' 344' ' ' LEU . 30.5 mt -62.0 -45.51 93.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.127 -0.983 . . . . 0.3 109.501 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' C' ' 330' ' ' LEU . 52.5 t30 -57.98 -49.23 77.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.289 -0.882 . . . . 1.22 109.862 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.41 -34.98 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.359 -0.838 . . . . 1.72 109.779 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.02 -50.95 72.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.231 -0.918 . . . . 0.27 109.564 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.708 HD13 ' NH1' ' C' ' 337' ' ' ARG . 63.7 mt -61.76 -36.94 82.48 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.294 -0.879 . . . . 0.29 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.45 -39.78 88.78 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.34 -0.85 . . . . 1.91 109.771 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -62.8 -47.28 84.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.29 -0.881 . . . . 0.41 109.945 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.95 -40.9 95.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.212 -0.93 . . . . 1.56 109.196 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.41 -32.56 64.96 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.573 -0.704 . . . . 1.43 109.292 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.54 -38.23 83.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 0.66 109.576 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.62 -5.91 58.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.278 -0.889 . . . . 1.18 109.592 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.21 -18.33 61.85 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.186 -0.946 . . . . 1.23 109.614 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 -0.46 87.73 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.618 -1.393 . . . . 1.54 109.618 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.61 -1.2 57.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.208 -1.172 . . . . 4.18 110.245 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 3.0 mt-10 -52.24 -57.32 15.75 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 120.962 -1.086 . . . . 5.71 109.603 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 1.0 OUTLIER -62.98 -80.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 121.936 1.757 . . . . 5.61 110.325 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.454 -1.458 . . . . 7.24 109.454 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' B' ' 320' ' ' LYS . 24.3 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.243 0.545 . . . . 7.34 109.576 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 319' ' ' LYS . 5.4 tttt 60.41 -87.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.317 -0.865 . . . . 7.17 109.709 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' B' ' 323' ' ' LEU . 9.7 mttt 65.51 80.68 0.23 Allowed Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.285 -0.884 . . . . 6.44 109.537 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.27 85.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.171 1.914 . . . . 4.54 110.071 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 321' ' ' LYS . 8.8 mt -81.56 7.12 12.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 4.32 109.825 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.414 ' HB3' ' NH1' ' D' ' 333' ' ' ARG . 11.4 m-20 -79.22 -174.33 4.08 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.344 -0.848 . . . . 2.47 109.57 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 166.28 45.16 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.616 -1.394 . . . . 0.95 109.616 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.57 147.1 33.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.128 -1.219 . . . . 1.61 109.641 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 10.4 m-85 -94.22 153.09 18.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.955 . . . . 0.57 109.422 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.6 m-85 -139.19 -167.13 2.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.095 -1.003 . . . . 0.53 109.755 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.5 p -153.15 159.73 42.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.38 109.603 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.3 tp -149.94 134.85 17.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.306 -0.871 . . . . 0.36 109.431 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -86.05 132.83 33.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 1.36 109.594 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.4 mt -124.09 119.02 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.293 -0.879 . . . . 0.49 109.456 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' D' ' 324' ' ' ASP . 0.5 OUTLIER -73.65 148.28 42.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 2.1 109.659 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.33 140.48 10.93 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.896 -1.282 . . . . 0.44 109.896 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.4 ttt180 -83.28 -60.96 1.98 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.297 -1.12 . . . . 2.72 109.378 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -42.29 87.69 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.229 -0.92 . . . . 2.21 109.413 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.752 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -60.5 -40.64 92.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.29 -0.881 . . . . 2.79 109.48 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' D' ' 329' ' ' THR . 33.2 t80 -55.37 -56.17 23.15 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.396 -0.815 . . . . 0.45 109.697 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.97 -31.89 19.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 1.68 109.88 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.15 -50.02 72.04 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.189 -0.944 . . . . 0.43 109.95 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.4 m-85 -60.9 -47.5 86.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.167 -0.958 . . . . 0.28 109.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -51.22 -42.91 61.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.295 -0.878 . . . . 2.52 109.417 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -41.08 93.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.318 -0.864 . . . . 1.75 109.83 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 344' ' ' LEU . 30.5 mt -61.99 -45.43 93.65 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.225 -0.922 . . . . 0.31 109.486 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' D' ' 331' ' ' GLN . 52.4 t30 -58.11 -49.17 77.89 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.884 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.3 -35.09 76.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.282 -0.886 . . . . 1.69 109.78 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -50.78 72.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.27 109.505 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.787 HD13 ' NH1' ' D' ' 337' ' ' ARG . 64.7 mt -61.99 -36.8 82.59 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.374 -0.829 . . . . 0.3 109.199 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.62 -39.63 88.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 1.93 109.823 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' B' ' 350' ' ' LEU . 12.7 tp -62.86 -47.14 84.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.315 -0.865 . . . . 0.4 109.952 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -61.04 -40.85 95.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.23 -0.919 . . . . 1.59 109.189 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.36 -32.66 64.94 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.403 -0.811 . . . . 1.43 109.352 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.29 84.12 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 0.65 109.613 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.857 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.64 -5.89 58.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 1.19 109.572 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -18.15 61.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.22 109.58 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 -0.4 87.62 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.624 -1.391 . . . . 1.53 109.624 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -87.6 -1.2 57.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -1.144 . . . . 4.21 110.284 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.571 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 3.1 mt-10 -52.06 -57.43 15.12 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.964 -1.085 . . . . 5.68 109.6 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.571 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 1.0 OUTLIER -63.03 -81.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.067 1.845 . . . . 5.57 110.109 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.486 -1.446 . . . . 7.2 109.486 -179.751 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' C' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.573 -0.528 . . . . 8.96 109.573 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' C' ' 319' ' ' LYS . 5.4 tttt 60.5 -87.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.376 -0.827 . . . . 8.15 109.646 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' C' ' 323' ' ' LEU . 9.7 mttt 65.6 80.67 0.23 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.187 -0.946 . . . . 7.15 109.549 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.19 85.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.213 1.942 . . . . 4.35 110.078 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' C' ' 321' ' ' LYS . 8.7 mt -81.56 7.16 12.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.242 -0.911 . . . . 4.63 109.858 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 12.0 m-20 -79.18 -174.02 3.91 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.244 -0.91 . . . . 2.85 109.598 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 166.2 46.23 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.627 -1.389 . . . . 1.12 109.627 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.57 147.06 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -1.151 . . . . 2.11 109.683 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 10.4 m-85 -94.19 153.19 18.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 0.64 109.402 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.2 m-85 -139.28 -166.96 2.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.954 . . . . 0.49 109.665 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.7 p -153.2 159.65 42.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 0.47 109.58 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 345' ' ' ASN . 19.9 tp -149.83 134.92 17.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.42 109.508 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.454 ' O ' ' ND2' ' A' ' 345' ' ' ASN . 12.7 tt0 -86.12 132.77 33.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.25 -0.907 . . . . 1.81 109.584 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.0 mt -124.02 119.03 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -0.926 . . . . 0.42 109.51 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.433 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.5 OUTLIER -73.72 148.05 43.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.307 -0.871 . . . . 2.35 109.591 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.44 140.57 11.02 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.863 -1.295 . . . . 0.41 109.863 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.6 ttt180 -83.29 -61.06 1.95 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.244 -1.151 . . . . 2.59 109.399 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.25 87.35 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.256 -0.903 . . . . 2.54 109.481 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.708 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.3 OUTLIER -60.49 -40.5 91.55 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.158 -0.964 . . . . 3.39 109.599 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 329' ' ' THR . 33.3 t80 -55.38 -56.39 20.67 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.418 -0.801 . . . . 0.47 109.644 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -50.76 -32.01 18.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.219 -0.926 . . . . 1.66 109.802 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 25.4 ttp -63.08 -50.09 71.91 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.101 -0.999 . . . . 0.61 109.943 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.643 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -60.97 -47.6 85.67 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.207 -0.933 . . . . 0.33 109.048 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -51.13 -42.87 60.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 3.28 109.489 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -41.0 93.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.338 -0.851 . . . . 1.78 109.805 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' D' ' 344' ' ' LEU . 31.0 mt -62.11 -45.5 93.2 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 0.38 109.522 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.482 ' HB2' HD21 ' A' ' 330' ' ' LEU . 52.4 t30 -58.11 -49.04 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 1.2 109.868 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 4.7 mt-10 -61.42 -35.16 76.77 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.198 -0.939 . . . . 2.12 109.713 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.01 -50.82 72.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.26 109.532 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.683 HD13 ' NH1' ' A' ' 337' ' ' ARG . 63.9 mt -61.79 -36.94 82.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.428 -0.795 . . . . 0.4 109.257 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.54 -39.6 88.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.366 -0.834 . . . . 2.09 109.818 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' C' ' 350' ' ' LEU . 12.6 tp -62.89 -47.37 83.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.897 . . . . 0.75 109.911 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -60.95 -40.82 94.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.913 . . . . 2.19 109.152 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -56.44 -32.56 65.03 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.449 -0.782 . . . . 1.34 109.352 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.34 84.27 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.309 -0.869 . . . . 0.72 109.614 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.792 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.59 -5.83 58.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 1.8 109.578 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.26 61.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.923 . . . . 1.39 109.603 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.7 -0.46 87.79 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.716 -1.353 . . . . 1.66 109.716 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.59 -1.29 57.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.299 -1.118 . . . . 4.45 110.285 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.569 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 3.1 mt-10 -52.04 -57.4 15.18 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 120.892 -1.13 . . . . 6.19 109.666 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 0.9 OUTLIER -63.01 -81.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 121.996 1.798 . . . . 5.58 110.302 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.876 -1.513 . . . . 6.9 109.573 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' D' ' 320' ' ' LYS . 24.0 mttt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.212 0.53 . . . . 7.36 109.634 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' D' ' 319' ' ' LYS . 5.4 tttt 60.48 -87.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.34 -0.85 . . . . 7.15 109.675 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' D' ' 323' ' ' LEU . 9.6 mttt 65.5 80.73 0.22 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.94 . . . . 6.5 109.549 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.28 85.2 0.09 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.215 1.943 . . . . 4.5 110.177 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' D' ' 321' ' ' LYS . 8.8 mt -81.46 7.1 12.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.259 -0.9 . . . . 4.32 109.785 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.441 ' HB3' ' NH1' ' B' ' 333' ' ' ARG . 11.8 m-20 -79.12 -174.01 3.89 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.311 -0.868 . . . . 2.46 109.619 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 166.3 46.57 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.646 -1.381 . . . . 0.97 109.646 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.65 147.07 33.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -1.159 . . . . 1.67 109.638 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 10.7 m-85 -94.31 153.23 18.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.257 -0.902 . . . . 0.61 109.329 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.4 m-85 -139.35 -167.07 2.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.164 -0.96 . . . . 0.56 109.629 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.6 p -153.17 159.75 42.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.323 -0.861 . . . . 0.43 109.588 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.1 tp -149.9 134.76 17.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.166 -0.959 . . . . 0.35 109.463 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.447 ' O ' ' ND2' ' B' ' 345' ' ' ASN . 12.6 tt0 -86.0 132.84 33.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.205 -0.934 . . . . 1.37 109.626 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.7 mt -124.14 119.05 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.161 -0.962 . . . . 0.48 109.412 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' B' ' 324' ' ' ASP . 0.5 OUTLIER -73.7 148.22 42.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.299 -0.876 . . . . 2.08 109.53 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.29 140.52 10.94 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.887 -1.285 . . . . 0.4 109.887 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.4 ttt180 -83.25 -60.86 2.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 2.64 109.499 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.38 88.1 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.323 -0.861 . . . . 2.22 109.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -60.45 -40.63 91.84 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.29 -0.881 . . . . 2.74 109.51 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' B' ' 329' ' ' THR . 33.1 t80 -55.31 -56.31 21.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.489 -0.757 . . . . 0.43 109.607 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -50.91 -31.94 19.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.69 109.778 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 25.3 ttp -63.13 -49.97 72.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.175 -0.953 . . . . 0.43 109.966 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.08 -47.66 85.29 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.224 -0.923 . . . . 0.27 109.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -42.94 60.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.45 109.416 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -40.99 93.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.289 -0.882 . . . . 1.75 109.88 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.654 HD22 HD22 ' C' ' 344' ' ' LEU . 31.1 mt -62.07 -45.47 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.314 -0.866 . . . . 0.31 109.518 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.446 ' HB2' HD21 ' B' ' 330' ' ' LEU . 52.2 t30 -58.04 -49.17 77.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.38 -0.825 . . . . 1.22 109.831 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.33 -35.17 76.66 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 1.73 109.74 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.88 -51.06 71.65 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.255 -0.903 . . . . 0.28 109.536 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' NH1' ' B' ' 337' ' ' ARG . 63.7 mt -61.79 -36.76 82.03 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.295 -0.878 . . . . 0.31 109.333 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.63 -39.69 89.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 1.91 109.753 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.792 HD21 ' NE2' ' C' ' 354' ' ' GLN . 12.6 tp -62.73 -47.31 84.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.345 -0.847 . . . . 0.43 109.94 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 9.5 ttmt -60.89 -40.92 94.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.398 -0.814 . . . . 1.57 109.265 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.42 -32.54 64.95 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.479 -0.763 . . . . 1.44 109.318 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.44 84.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.377 -0.827 . . . . 0.64 109.533 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -81.49 -5.99 58.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.257 -0.902 . . . . 1.21 109.611 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.25 61.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.159 -0.963 . . . . 1.22 109.634 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -0.56 87.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.696 -1.362 . . . . 1.5 109.696 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -87.61 -1.11 57.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -1.209 . . . . 4.18 110.263 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.579 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 3.1 mt-10 -52.16 -57.42 15.27 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.978 -1.076 . . . . 5.67 109.625 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 0.9 OUTLIER -62.96 -81.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.969 1.779 . . . . 5.65 110.353 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 CA-C-O 117.947 -1.474 . . . . 7.27 109.539 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.294 0.569 . . . . 7.33 109.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 321' ' ' LYS . 9.5 mttt 61.57 16.23 7.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -0.888 . . . . 7.21 109.39 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 320' ' ' LYS . 63.4 mmtt 61.06 143.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 6.47 109.387 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -82.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 122.047 1.832 . . . . 4.53 110.1 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 94.2 mt -83.03 109.32 17.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.174 -0.954 . . . . 4.35 109.525 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.99 -152.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.256 -0.902 . . . . 2.48 109.222 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.41 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.0 163.89 47.3 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.207 -1.557 . . . . 0.98 109.207 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -58.29 131.43 50.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.247 . . . . 1.7 109.492 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 18.0 m-85 -93.9 156.63 16.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.61 109.445 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.2 m-85 -139.11 -168.99 2.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.27 -0.894 . . . . 0.58 109.425 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 11.2 p -152.78 161.09 43.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.166 -0.959 . . . . 0.42 109.573 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.2 tp -147.87 130.92 16.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.36 109.423 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -86.74 130.99 34.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 1.37 109.715 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.92 121.09 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.154 -0.966 . . . . 0.47 109.472 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -73.75 147.92 43.07 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 2.1 109.506 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 139.2 7.64 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.791 -1.324 . . . . 0.42 109.791 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 22.8 ttp180 -82.78 -55.12 4.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.372 -1.075 . . . . 2.68 109.519 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -58.41 -44.62 89.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.39 -0.819 . . . . 2.22 109.477 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.551 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -41.94 94.76 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.144 -0.972 . . . . 2.77 109.262 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 52.8 t80 -55.93 -52.12 65.23 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.46 -0.775 . . . . 0.43 109.78 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.46 -36.13 32.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.418 -0.801 . . . . 1.66 110.086 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -62.82 -48.44 79.08 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.117 -0.989 . . . . 0.44 110.011 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 24.3 m-85 -60.96 -49.06 78.99 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.283 -0.886 . . . . 0.29 109.332 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.13 -41.99 60.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.44 -0.788 . . . . 2.44 109.599 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.17 -41.65 93.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 1.74 109.847 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' B' ' 344' ' ' LEU . 28.4 mt -62.08 -45.87 91.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.3 109.524 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.4 t30 -57.59 -45.24 85.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 1.22 109.519 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.06 -37.31 84.5 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.82 . . . . 1.72 109.777 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -50.67 72.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.3 -0.875 . . . . 0.27 109.918 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.689 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.2 mt -61.11 -40.45 93.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 0.29 109.696 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -60.94 -39.02 87.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.944 . . . . 1.91 109.99 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.601 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.6 tp -64.03 -44.53 92.25 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.19 -0.944 . . . . 0.41 109.881 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 26.5 ttmt -62.14 -43.09 99.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 1.56 109.341 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.92 -33.35 66.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.505 -0.747 . . . . 1.43 109.803 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.59 79.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.66 109.772 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' B' ' 350' ' ' LEU . 5.1 mt-30 -81.53 -7.33 59.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.183 -0.948 . . . . 1.18 109.516 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.81 -90.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.329 -0.857 . . . . 1.23 109.513 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 109.9 3.36 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.719 -1.352 . . . . 1.54 109.719 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.1 135.69 33.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.147 -1.208 . . . . 4.18 109.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.91 108.56 0.98 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.224 -0.923 . . . . 5.71 109.447 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.73 -172.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.061 1.84 . . . . 5.61 110.244 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.945 -1.475 . . . . 7.24 109.483 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.317 0.579 . . . . 7.34 109.442 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' B' ' 321' ' ' LYS . 9.6 mttt 61.45 16.23 7.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.15 -0.969 . . . . 7.17 109.463 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' B' ' 320' ' ' LYS . 63.5 mmtt 61.14 142.98 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 6.44 109.453 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -64.1 -82.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.007 1.805 . . . . 4.54 110.188 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 94.4 mt -82.93 109.31 16.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.26 -0.9 . . . . 4.32 109.621 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.498 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 2.1 m-20 -81.02 -153.02 0.09 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.285 -0.885 . . . . 2.47 109.134 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -67.78 163.84 46.7 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.226 -1.55 . . . . 0.95 109.226 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.23 131.39 50.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.158 -1.201 . . . . 1.61 109.464 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 17.8 m-85 -93.91 156.56 16.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.57 109.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 74.1 m-85 -139.1 -168.96 2.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 0.53 109.519 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 11.3 p -152.72 161.06 43.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.141 -0.975 . . . . 0.38 109.642 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -147.84 130.82 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.927 . . . . 0.36 109.385 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 45.6 tt0 -86.68 130.95 34.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.315 -0.866 . . . . 1.36 109.756 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' B' ' 341' ' ' PHE . 44.6 mt -123.84 121.02 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -0.939 . . . . 0.49 109.552 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' D' ' 324' ' ' ASP . 54.7 ttt180 -73.68 147.86 43.27 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 2.1 109.609 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.31 139.23 7.71 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.799 -1.32 . . . . 0.44 109.799 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 22.9 ttp180 -82.84 -55.18 4.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -1.157 . . . . 2.72 109.462 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.39 -44.53 89.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.879 . . . . 2.21 109.511 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.38 -42.01 94.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.252 -0.905 . . . . 2.79 109.345 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.5 t80 -55.74 -52.27 64.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.404 -0.81 . . . . 0.45 109.782 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.5 -36.14 32.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 1.68 110.07 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.79 -48.29 79.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.134 -0.979 . . . . 0.43 110.095 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.629 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 24.1 m-85 -61.02 -49.3 77.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.187 -0.945 . . . . 0.28 109.223 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -50.9 -42.07 58.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.337 -0.852 . . . . 2.52 109.627 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -0.893 . . . . 1.75 109.824 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.821 HD22 HD22 ' A' ' 344' ' ' LEU . 28.2 mt -62.11 -45.91 91.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.31 109.495 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.6 t30 -57.62 -45.26 85.62 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.392 -0.818 . . . . 1.21 109.504 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.97 -37.33 84.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.872 . . . . 1.69 109.819 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.01 -50.6 73.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.185 -0.947 . . . . 0.27 109.915 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.611 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 20.1 mt -61.19 -40.48 94.07 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.338 -0.851 . . . . 0.3 109.729 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.84 -39.0 87.42 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.265 -0.897 . . . . 1.93 110.02 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' A' ' 354' ' ' GLN . 12.6 tp -63.99 -44.56 92.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.4 109.921 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 26.6 ttmt -62.13 -43.13 99.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.226 -0.921 . . . . 1.59 109.31 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -56.99 -33.31 66.99 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.464 -0.773 . . . . 1.43 109.799 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.31 -44.41 79.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.859 . . . . 0.65 109.789 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.601 ' NE2' HD21 ' A' ' 350' ' ' LEU . 5.2 mt-30 -81.55 -7.42 59.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.28 -0.888 . . . . 1.19 109.415 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.84 -90.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.293 -0.879 . . . . 1.22 109.43 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 109.92 3.36 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.724 -1.35 . . . . 1.53 109.724 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -87.12 135.57 33.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.101 -1.235 . . . . 4.21 109.486 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.88 108.53 0.97 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.209 -0.932 . . . . 5.68 109.499 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.59 -172.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.051 1.834 . . . . 5.57 110.339 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.455 -1.458 . . . . 7.2 109.455 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.7 mttp . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.394 -0.595 . . . . 8.96 109.394 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' C' ' 321' ' ' LYS . 9.5 mttt 61.4 16.3 7.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.262 -0.899 . . . . 8.15 109.435 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' C' ' 320' ' ' LYS . 63.5 mmtt 61.01 143.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 7.15 109.469 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' C' ' 321' ' ' LYS . 0.9 OUTLIER -64.15 -82.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.143 1.896 . . . . 4.35 110.172 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 94.4 mt -82.95 109.16 16.82 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.19 -0.944 . . . . 4.63 109.566 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.97 -153.05 0.09 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.23 -0.919 . . . . 2.85 109.217 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.81 163.82 46.82 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.26 -1.536 . . . . 1.12 109.26 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.22 131.34 50.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -1.176 . . . . 2.11 109.493 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 17.4 m-85 -93.84 156.61 16.56 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.216 -0.928 . . . . 0.64 109.521 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.5 m-85 -139.07 -168.88 2.52 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.49 109.524 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.3 p -152.86 160.91 43.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.106 -0.996 . . . . 0.47 109.693 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -147.75 130.93 16.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.369 -0.832 . . . . 0.42 109.419 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 45.6 tt0 -86.81 131.03 34.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 1.81 109.705 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.4 mt -123.94 121.0 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.157 -0.964 . . . . 0.42 109.495 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -73.73 147.87 43.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.897 . . . . 2.35 109.546 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 139.07 7.58 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.836 -1.306 . . . . 0.41 109.836 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.8 ttp180 -82.63 -55.12 4.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.361 -1.082 . . . . 2.59 109.51 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -58.48 -44.47 89.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.35 -0.844 . . . . 2.54 109.385 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.54 -41.99 95.62 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 3.39 109.2 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.458 ' CE1' ' O ' ' A' ' 329' ' ' THR . 53.0 t80 -55.79 -52.19 64.83 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.395 -0.816 . . . . 0.47 109.801 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -50.55 -36.03 32.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -0.91 . . . . 1.66 110.05 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.88 -48.37 79.3 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.162 -0.961 . . . . 0.61 109.925 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.689 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 24.0 m-85 -61.06 -49.09 78.75 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.204 -0.935 . . . . 0.33 109.24 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.12 -42.04 60.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.493 -0.754 . . . . 3.28 109.578 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.09 -41.64 92.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.961 . . . . 1.78 109.809 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' D' ' 344' ' ' LEU . 28.6 mt -62.11 -45.87 91.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.264 -0.897 . . . . 0.38 109.505 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.3 t30 -57.6 -45.26 85.52 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 1.2 109.487 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -62.01 -37.44 84.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.317 -0.864 . . . . 2.12 109.747 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.92 -50.62 73.05 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.189 -0.944 . . . . 0.26 109.99 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.634 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.5 mt -61.25 -40.39 93.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.4 109.707 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -39.04 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.216 -0.928 . . . . 2.09 109.979 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.789 HD21 ' NE2' ' D' ' 354' ' ' GLN . 12.6 tp -63.99 -44.5 92.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.288 -0.883 . . . . 0.75 109.96 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.487 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 26.5 ttmt -62.03 -43.24 99.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.316 -0.865 . . . . 2.19 109.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -56.99 -33.3 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.51 -0.744 . . . . 1.34 109.735 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.45 79.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.308 -0.87 . . . . 0.72 109.781 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.446 ' NE2' HD21 ' D' ' 350' ' ' LEU . 5.2 mt-30 -81.64 -7.32 59.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 1.8 109.412 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.8 -90.39 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 1.39 109.426 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 109.89 3.36 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.723 -1.351 . . . . 1.66 109.723 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.13 135.67 33.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.175 -1.191 . . . . 4.45 109.469 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.85 108.53 0.97 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.922 . . . . 6.19 109.516 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.68 -172.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.025 1.816 . . . . 5.58 110.332 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.468 -1.453 . . . . 6.9 109.468 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.6 mttp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.416 -0.587 . . . . 7.36 109.416 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' D' ' 321' ' ' LYS . 9.5 mttt 61.53 16.17 7.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.276 -0.89 . . . . 7.15 109.375 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' D' ' 320' ' ' LYS . 63.5 mmtt 61.14 143.05 0.05 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.311 -0.868 . . . . 6.5 109.375 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' ' 321' ' ' LYS . 0.9 OUTLIER -64.09 -82.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.084 1.856 . . . . 4.5 110.153 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' D' ' 323' ' ' LEU . 94.3 mt -82.85 109.21 16.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 4.32 109.602 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.471 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 2.1 m-20 -81.0 -152.96 0.09 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 2.46 109.233 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.91 163.75 47.19 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.196 -1.562 . . . . 0.97 109.196 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -58.19 131.49 50.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -1.14 . . . . 1.67 109.428 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 17.9 m-85 -93.98 156.69 16.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.912 . . . . 0.61 109.332 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.15 -168.98 2.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.56 109.463 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.466 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.1 p -152.84 160.95 43.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.11 -0.994 . . . . 0.43 109.657 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.4 tp -147.73 130.81 16.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.353 -0.842 . . . . 0.35 109.42 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 45.7 tt0 -86.78 131.08 34.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.233 -0.917 . . . . 1.37 109.694 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' D' ' 341' ' ' PHE . 44.6 mt -123.94 121.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.48 109.474 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' B' ' 324' ' ' ASP . 54.7 ttt180 -73.65 147.8 43.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.308 -0.87 . . . . 2.08 109.538 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.36 139.26 7.75 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.798 -1.321 . . . . 0.4 109.798 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.9 ttp180 -82.8 -55.19 4.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.348 -1.09 . . . . 2.64 109.488 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -58.3 -44.74 88.7 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.368 -0.833 . . . . 2.22 109.447 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.28 -41.97 94.46 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.284 -0.885 . . . . 2.74 109.332 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.3 t80 -55.83 -52.19 64.87 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.454 -0.779 . . . . 0.43 109.822 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -50.41 -36.22 31.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.69 110.067 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.81 -48.3 79.69 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.971 . . . . 0.43 110.035 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.611 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 24.3 m-85 -60.97 -49.22 78.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.18 -0.95 . . . . 0.27 109.259 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.4 ttp180 -51.1 -41.95 60.32 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.474 -0.766 . . . . 2.45 109.56 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.25 -41.53 93.38 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.279 -0.888 . . . . 1.75 109.799 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' C' ' 344' ' ' LEU . 28.5 mt -62.1 -45.88 91.56 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.31 109.564 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.4 t30 -57.64 -45.22 85.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.359 -0.838 . . . . 1.22 109.5 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -62.03 -37.24 84.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 1.73 109.862 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -50.62 73.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.315 -0.865 . . . . 0.28 109.918 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.629 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.27 -40.45 94.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.334 -0.854 . . . . 0.31 109.719 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.79 -38.96 87.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.282 -0.886 . . . . 1.91 109.963 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 12.6 tp -64.19 -44.51 91.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.284 -0.885 . . . . 0.43 109.792 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -62.01 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 1.57 109.296 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -57.04 -33.31 67.09 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.56 -0.712 . . . . 1.44 109.677 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.48 79.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.344 -0.847 . . . . 0.64 109.755 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' C' ' 350' ' ' LEU . 5.1 mt-30 -81.65 -7.25 59.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.14 -0.975 . . . . 1.21 109.432 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.87 -90.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 1.22 109.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.27 109.81 3.35 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.724 -1.35 . . . . 1.5 109.724 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -87.17 135.64 33.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.136 -1.214 . . . . 4.18 109.462 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.79 108.5 0.96 Allowed Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.284 -0.885 . . . . 5.67 109.536 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.58 -172.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.05 1.833 . . . . 5.65 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.391 0 N-CA-C 109.444 -1.462 . . . . 7.27 109.444 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.325 0.583 . . . . 7.33 109.554 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 321' ' ' LYS . 13.9 mttt 60.02 18.56 7.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 7.21 109.515 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.7 mttt 62.62 146.02 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.26 -0.9 . . . . 6.47 109.377 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -62.94 -82.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.011 1.807 . . . . 4.53 110.154 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.5 113.16 20.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.138 -0.976 . . . . 4.35 109.44 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.97 -100.81 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 2.48 109.193 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.77 154.1 52.67 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.243 -1.543 . . . . 0.98 109.243 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.1 mt-10 -58.6 132.7 54.58 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.162 -1.199 . . . . 1.7 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 20.6 m-85 -94.87 146.97 23.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.61 109.693 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 46.4 m-85 -140.37 140.19 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.58 109.418 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.27 171.68 8.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.429 -0.794 . . . . 0.42 109.627 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.1 tp -149.75 134.08 17.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.36 109.681 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.73 122.91 31.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 1.37 109.5 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 49.3 mt -124.16 109.12 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.344 -0.847 . . . . 0.47 109.805 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -74.5 146.01 43.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.916 . . . . 2.1 109.47 179.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.68 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.889 -1.285 . . . . 0.42 109.889 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.3 ttt180 -80.73 -54.46 5.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.251 -1.146 . . . . 2.68 109.27 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.58 -44.7 89.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 2.22 109.281 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.28 -44.43 95.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.429 -0.794 . . . . 2.77 109.522 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' C' ' 330' ' ' LEU . 37.8 t80 -54.61 -54.18 44.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.43 109.526 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -51.5 -39.07 56.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.318 -0.864 . . . . 1.66 110.073 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.63 -47.03 85.51 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.192 -0.943 . . . . 0.44 110.212 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -49.51 76.84 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.125 -0.984 . . . . 0.29 109.352 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.05 -39.6 56.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 2.44 109.394 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.29 -43.08 96.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.227 -0.921 . . . . 1.74 109.73 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' B' ' 344' ' ' LEU . 97.1 mt -62.46 -44.98 95.09 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.3 -0.875 . . . . 0.3 109.52 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.74 -45.52 85.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -0.852 . . . . 1.22 109.734 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.54 -37.18 85.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 1.72 109.645 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.98 -52.05 67.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.361 -0.837 . . . . 0.27 109.936 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.304 -0.873 . . . . 0.29 109.551 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -59.56 -37.37 78.26 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 1.91 109.478 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.68 HD21 ' NE2' ' B' ' 354' ' ' GLN . 14.4 tp -63.53 -40.67 97.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.357 -0.839 . . . . 0.41 109.094 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -52.52 63.24 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.025 -0.731 . . . . 1.56 109.025 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.51 -29.79 62.25 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.616 -0.677 . . . . 1.43 109.679 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.05 92.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.347 -0.846 . . . . 0.66 109.699 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.792 ' NE2' HD21 ' B' ' 350' ' ' LEU . 1.9 mt-30 -83.72 -13.53 53.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 1.18 109.551 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.3 55.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 1.23 109.527 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 42.46 3.15 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.996 -1.242 . . . . 1.54 109.996 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.21 145.04 27.14 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.131 -1.217 . . . . 4.18 109.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.76 154.42 2.4 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 5.71 109.668 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.14 135.78 60.71 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.171 1.914 . . . . 5.61 110.139 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.965 -1.464 . . . . 7.24 109.537 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.453 -0.573 . . . . 7.34 109.453 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 321' ' ' LYS . 13.9 mttt 59.99 18.48 7.63 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 7.17 109.547 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.7 mttt 62.74 146.11 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 6.44 109.368 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.1 -82.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.105 1.87 . . . . 4.54 110.161 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.59 113.17 20.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 4.32 109.385 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -100.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.112 -0.993 . . . . 2.47 109.278 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.25 154.03 52.28 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.235 -1.546 . . . . 0.95 109.235 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.54 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 47.2 mt-10 -58.46 132.62 54.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.137 -1.213 . . . . 1.61 109.264 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 21.0 m-85 -94.86 147.05 23.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.163 -0.96 . . . . 0.57 109.585 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 45.7 m-85 -140.47 140.19 35.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.31 -0.868 . . . . 0.53 109.39 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 24.4 p -92.25 171.64 8.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.447 -0.783 . . . . 0.38 109.601 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' B' ' 330' ' ' LEU . 25.3 tp -149.77 134.13 17.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.36 109.604 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.84 122.91 31.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 1.36 109.517 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 48.9 mt -124.14 108.95 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.25 -0.906 . . . . 0.49 109.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.477 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -74.43 145.99 43.24 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.201 -0.937 . . . . 2.1 109.532 179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.69 134.8 8.64 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.876 -1.29 . . . . 0.44 109.876 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.2 ttt180 -80.76 -54.31 5.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -1.121 . . . . 2.72 109.312 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -58.66 -44.71 90.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.315 -0.866 . . . . 2.21 109.356 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.44 95.15 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.344 -0.848 . . . . 2.79 109.606 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' D' ' 330' ' ' LEU . 37.7 t80 -54.53 -54.31 42.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.348 -0.845 . . . . 0.45 109.557 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.55 -38.97 56.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -0.861 . . . . 1.68 110.061 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.54 -47.08 85.47 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.154 -0.966 . . . . 0.43 110.217 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -49.49 76.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.138 -0.976 . . . . 0.28 109.256 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -50.94 -39.54 55.19 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.34 -0.85 . . . . 2.52 109.541 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.39 -43.02 97.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.185 -0.947 . . . . 1.75 109.689 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.469 HD22 HD22 ' A' ' 344' ' ' LEU . 96.6 mt -62.56 -44.84 95.33 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.315 -0.865 . . . . 0.31 109.617 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.8 -45.5 85.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.321 -0.862 . . . . 1.21 109.777 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.53 -37.19 85.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 1.69 109.643 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.92 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.0 -51.94 67.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.298 -0.876 . . . . 0.27 109.985 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.27 -40.78 95.37 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.331 -0.856 . . . . 0.3 109.527 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.6 -37.22 77.96 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -0.924 . . . . 1.93 109.463 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.792 HD21 ' NE2' ' A' ' 354' ' ' GLN . 14.4 tp -63.7 -40.56 97.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.271 -0.893 . . . . 0.4 109.173 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -52.59 63.0 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.065 -0.717 . . . . 1.59 109.065 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.5 -29.78 62.23 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.647 -0.658 . . . . 1.43 109.716 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.12 92.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.366 -0.834 . . . . 0.65 109.733 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.68 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.9 mt-30 -83.6 -13.67 53.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.114 -0.991 . . . . 1.19 109.56 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.26 -8.14 54.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.225 -0.922 . . . . 1.22 109.577 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.68 42.46 3.15 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.898 -1.281 . . . . 1.53 109.898 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.25 145.02 27.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.103 -1.233 . . . . 4.21 109.445 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.81 154.5 2.39 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.154 -0.966 . . . . 5.68 109.548 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.17 135.74 60.35 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.136 1.89 . . . . 5.57 110.22 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 118.024 -1.431 . . . . 7.2 109.563 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.423 -0.584 . . . . 8.96 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' C' ' 321' ' ' LYS . 14.0 mttt 60.04 18.42 7.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 8.15 109.59 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.7 mttt 62.77 145.99 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.344 -0.848 . . . . 7.15 109.378 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.99 -82.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.997 1.798 . . . . 4.35 110.192 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.9 mt -82.53 113.14 20.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.14 -0.975 . . . . 4.63 109.416 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.93 -100.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.145 -0.972 . . . . 2.85 109.253 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 154.0 52.55 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.312 -1.515 . . . . 1.12 109.312 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 47.3 mt-10 -58.39 132.58 54.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.148 -1.207 . . . . 2.11 109.31 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 21.1 m-85 -94.89 146.98 23.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.64 109.612 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 46.3 m-85 -140.4 140.18 35.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.188 -0.945 . . . . 0.49 109.362 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 24.5 p -92.22 171.75 8.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.285 -0.885 . . . . 0.47 109.659 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.409 HD13 ' CE1' ' A' ' 338' ' ' PHE . 25.2 tp -149.8 133.98 17.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 0.42 109.685 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.65 122.92 31.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 1.81 109.562 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.2 108.9 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.188 -0.945 . . . . 0.42 109.878 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -74.34 146.04 43.39 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 2.35 109.486 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.63 134.79 8.64 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.992 -1.243 . . . . 0.41 109.992 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.2 ttt180 -80.66 -54.52 5.56 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.358 -1.084 . . . . 2.59 109.296 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -58.51 -44.84 89.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.201 -0.937 . . . . 2.54 109.297 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.37 95.2 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.252 -0.905 . . . . 3.39 109.64 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.62 -54.27 43.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.339 -0.851 . . . . 0.47 109.493 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -51.51 -38.93 56.46 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.257 -0.902 . . . . 1.66 110.141 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.59 -47.18 84.94 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.175 -0.953 . . . . 0.61 110.15 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.3 -49.44 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.92 . . . . 0.33 109.327 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.0 -39.55 56.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.35 -0.844 . . . . 3.28 109.518 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -60.36 -43.04 96.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.257 -0.902 . . . . 1.78 109.739 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' D' ' 344' ' ' LEU . 96.8 mt -62.5 -44.87 95.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.875 . . . . 0.38 109.597 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.85 -45.52 86.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.378 -0.826 . . . . 1.2 109.708 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.44 -37.24 85.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.227 -0.921 . . . . 2.12 109.647 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.02 -51.99 67.3 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.26 109.929 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.22 -40.77 95.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 0.4 109.615 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.55 -37.24 77.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.237 -0.915 . . . . 2.09 109.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.809 HD21 ' NE2' ' D' ' 354' ' ' GLN . 14.4 tp -63.67 -40.6 97.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 0.75 109.105 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -52.56 63.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.429 -0.794 . . . . 2.19 109.056 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.41 -29.86 62.08 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.644 -0.66 . . . . 1.34 109.707 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.03 92.44 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.72 109.699 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.623 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.9 mt-30 -83.69 -13.52 53.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.8 109.548 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.33 -8.18 54.75 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.116 -0.99 . . . . 1.39 109.494 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 42.5 3.16 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.954 -1.258 . . . . 1.66 109.954 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 145.06 27.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.034 -1.274 . . . . 4.45 109.435 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.85 154.41 2.46 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.245 -0.909 . . . . 6.19 109.569 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.06 135.65 60.22 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.16 1.907 . . . . 5.58 110.232 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.426 0 CA-C-O 117.999 -1.445 . . . . 6.9 109.529 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.405 -0.591 . . . . 7.36 109.405 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' D' ' 321' ' ' LYS . 13.9 mttt 59.95 18.48 7.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 7.15 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.7 mttt 62.77 145.93 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.254 -0.904 . . . . 6.5 109.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.95 -82.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 121.936 1.757 . . . . 4.5 110.154 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.9 mt -82.52 113.2 20.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.22 -0.925 . . . . 4.32 109.41 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.02 -100.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.16 -0.962 . . . . 2.46 109.16 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.03 153.93 52.37 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.266 -1.534 . . . . 0.97 109.266 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.538 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 47.2 mt-10 -58.41 132.59 54.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.257 -1.143 . . . . 1.67 109.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 20.6 m-85 -94.9 147.05 23.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.894 . . . . 0.61 109.561 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 46.0 m-85 -140.44 140.15 35.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.956 . . . . 0.56 109.388 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 24.0 p -92.22 171.71 8.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.378 -0.826 . . . . 0.43 109.61 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' B' ' 338' ' ' PHE . 25.2 tp -149.78 134.03 17.27 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.202 -0.936 . . . . 0.35 109.682 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.61 122.86 31.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.847 . . . . 1.37 109.551 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 48.7 mt -124.21 109.09 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.938 . . . . 0.48 109.768 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.548 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -74.48 146.15 43.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 2.08 109.477 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.53 134.84 8.66 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.925 -1.27 . . . . 0.4 109.925 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.578 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.2 ttt180 -80.63 -54.45 5.64 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.247 -1.149 . . . . 2.64 109.326 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.55 -44.81 89.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.336 -0.852 . . . . 2.22 109.309 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -60.21 -44.42 95.15 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.425 -0.797 . . . . 2.74 109.58 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -54.6 -54.3 43.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 0.43 109.446 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -51.47 -39.0 56.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 1.69 110.151 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.6 -47.05 85.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.12 -0.988 . . . . 0.43 110.177 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.31 -49.42 77.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.27 109.378 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.15 -39.33 56.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.334 -0.854 . . . . 2.45 109.549 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -60.44 -42.96 97.17 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 1.75 109.737 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.536 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -62.66 -44.83 95.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.292 -0.88 . . . . 0.31 109.469 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -57.94 -45.62 86.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.409 -0.807 . . . . 1.22 109.686 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -62.29 -37.22 84.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 1.73 109.701 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.944 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.04 -51.89 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.322 -0.861 . . . . 0.28 109.975 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.29 -40.86 95.7 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.31 109.509 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.56 -37.29 78.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 1.91 109.473 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.623 HD21 ' NE2' ' C' ' 354' ' ' GLN . 14.4 tp -63.55 -40.55 97.29 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 0.43 109.207 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -52.53 63.14 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.495 -0.753 . . . . 1.57 109.142 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -56.48 -29.71 62.08 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.594 -0.691 . . . . 1.44 109.796 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.18 92.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.928 . . . . 0.64 109.685 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.809 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.9 mt-30 -83.7 -13.48 53.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.078 -1.013 . . . . 1.21 109.505 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.41 -8.14 54.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.159 -0.963 . . . . 1.22 109.399 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 42.41 3.15 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 110.008 -1.237 . . . . 1.5 110.008 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.24 145.11 27.1 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.103 -1.233 . . . . 4.18 109.453 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -50.81 154.4 2.44 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 5.67 109.591 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -61.07 135.76 60.87 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.1 1.867 . . . . 5.65 110.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 118.005 -1.442 . . . . 7.27 109.573 179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 mttt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.434 -0.58 . . . . 7.33 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 321' ' ' LYS . 5.4 tttt 62.54 100.33 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.138 -0.976 . . . . 7.21 109.357 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 26.5 mttt 59.96 92.31 0.07 OUTLIER Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.293 -0.879 . . . . 6.47 109.32 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.57 -154.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.024 1.816 . . . . 4.53 109.949 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.65 111.64 16.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.167 -0.958 . . . . 4.35 109.342 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.07 -163.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.48 109.535 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.48 163.19 51.66 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 109.26 -1.536 . . . . 0.98 109.26 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -56.8 140.47 47.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.176 -1.191 . . . . 1.7 109.319 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.425 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 5.2 m-85 -94.14 157.16 16.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.136 -0.977 . . . . 0.61 109.615 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.1 m-85 -140.1 -167.76 2.38 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.293 -0.879 . . . . 0.58 109.604 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 15.7 p -153.06 160.11 42.91 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.226 -0.921 . . . . 0.42 109.534 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.4 tp -147.91 134.27 19.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.343 -0.848 . . . . 0.36 109.358 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.97 128.11 34.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.262 -0.899 . . . . 1.37 109.397 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 43.3 mt -123.98 118.19 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.149 -0.969 . . . . 0.47 109.582 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.0 152.59 40.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 2.1 109.457 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.72 130.61 2.5 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.665 -1.374 . . . . 0.42 109.665 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.2 ttt180 -78.67 -47.76 16.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.162 -1.199 . . . . 2.68 109.294 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.38 -50.37 73.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.866 . . . . 2.22 109.407 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.59 -39.13 86.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.432 -0.793 . . . . 2.77 109.383 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' C' ' 329' ' ' THR . 60.1 t80 -55.13 -55.41 31.44 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.392 -0.818 . . . . 0.43 109.411 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -50.78 -38.55 48.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.398 -0.814 . . . . 1.66 110.108 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.41 -48.85 77.91 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.244 -0.91 . . . . 0.44 110.242 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.46 -52.85 63.44 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.157 -0.965 . . . . 0.29 109.305 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 -50.93 -38.96 53.49 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.387 -0.821 . . . . 2.44 109.739 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -60.71 -43.63 97.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.137 -0.977 . . . . 1.74 109.799 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 344' ' ' LEU . 72.7 mt -62.3 -41.41 98.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.124 -0.985 . . . . 0.3 109.395 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -58.31 -50.31 74.07 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 1.22 109.664 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.42 ' HB3' ' HZ1' ' B' ' 351' ' ' LYS . 1.2 mm-40 -62.98 -33.3 75.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -0.834 . . . . 1.72 110.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.65 -52.71 64.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.111 -0.993 . . . . 0.27 109.961 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.74 -40.61 93.08 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.2 -0.937 . . . . 0.29 109.598 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.88 -36.73 77.56 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 1.91 109.573 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.604 HD21 ' NE2' ' B' ' 354' ' ' GLN . 14.3 tp -64.36 -42.31 96.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.221 -0.924 . . . . 0.41 109.343 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.51 -48.65 80.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 1.56 108.9 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -56.87 -30.46 63.87 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.721 -0.612 . . . . 1.43 109.664 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -40.05 89.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.327 -0.858 . . . . 0.66 109.72 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.455 ' NE2' HD21 ' B' ' 350' ' ' LEU . 32.4 mt-30 -81.83 -7.91 59.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.18 109.704 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.12 32.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.173 -0.954 . . . . 1.23 109.781 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.94 2.43 83.71 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.758 -1.337 . . . . 1.54 109.758 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.12 106.4 17.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.024 -1.28 . . . . 4.18 109.562 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.436 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 16.4 pt-20 -49.68 159.99 0.65 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.247 -0.908 . . . . 5.71 109.411 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 1.9 Cg_endo -68.28 -3.5 10.98 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.225 1.95 . . . . 5.61 110.562 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.425 -1.47 . . . . 7.24 109.425 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.422 -0.584 . . . . 7.34 109.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 5.3 tttt 62.65 100.51 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.188 -0.945 . . . . 7.17 109.347 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 26.1 mttt 59.92 92.04 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 6.44 109.419 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -58.42 -154.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.147 1.898 . . . . 4.54 109.905 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 6.1 mt -79.53 111.62 15.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 4.32 109.396 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.99 -163.15 0.56 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.301 -0.874 . . . . 2.47 109.573 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.85 163.2 52.23 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.22 -1.552 . . . . 0.95 109.22 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.84 140.47 47.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.126 -1.22 . . . . 1.61 109.343 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 5.3 m-85 -94.19 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.57 109.519 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.1 m-85 -140.24 -167.75 2.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.258 -0.901 . . . . 0.53 109.646 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 14.9 p -152.91 160.38 43.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.23 -0.919 . . . . 0.38 109.516 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.6 tp -148.1 134.15 19.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.291 -0.881 . . . . 0.36 109.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 1.0 OUTLIER -85.8 128.05 34.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.22 -0.925 . . . . 1.36 109.437 179.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 42.0 mt -123.97 118.21 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.985 . . . . 0.49 109.653 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 152.81 39.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.291 -0.88 . . . . 2.1 109.391 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.56 130.77 2.47 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.751 -1.34 . . . . 0.44 109.751 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.454 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 35.5 ttt180 -78.87 -47.63 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.388 -1.066 . . . . 2.72 109.318 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.63 -50.12 75.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 2.21 109.477 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.318 -0.863 . . . . 2.79 109.383 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.4 t80 -55.02 -55.45 30.8 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.313 -0.867 . . . . 0.45 109.419 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -50.83 -38.62 49.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 1.68 109.909 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.42 -48.86 77.83 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.201 -0.937 . . . . 0.43 110.093 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.47 -52.67 64.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.136 -0.977 . . . . 0.28 109.325 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -51.03 -38.9 54.25 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.433 -0.792 . . . . 2.52 109.829 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -60.68 -43.67 97.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.101 -0.999 . . . . 1.75 109.86 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' B' ' 344' ' ' LEU . 72.9 mt -62.31 -41.49 98.57 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.123 -0.986 . . . . 0.31 109.368 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -58.24 -50.24 74.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.372 -0.83 . . . . 1.21 109.628 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.86 -33.49 75.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.271 -0.893 . . . . 1.69 110.071 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.78 -52.55 64.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.135 -0.978 . . . . 0.27 109.99 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.72 -40.92 94.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.295 -0.878 . . . . 0.3 109.632 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.68 -36.81 77.21 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 1.93 109.615 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.455 HD21 ' NE2' ' A' ' 354' ' ' GLN . 14.3 tp -64.26 -42.25 96.57 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.184 -0.948 . . . . 0.4 109.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.42 ' HZ1' ' HB3' ' A' ' 346' ' ' GLU . 5.6 ttmm -61.51 -48.8 79.41 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.888 -0.782 . . . . 1.59 108.888 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.74 -30.59 63.72 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.604 -0.685 . . . . 1.43 109.715 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.05 89.9 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.65 109.721 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.604 ' NE2' HD21 ' A' ' 350' ' ' LEU . 33.5 mt-30 -82.03 -7.53 59.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.145 -0.972 . . . . 1.19 109.641 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.26 -5.17 34.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.169 -0.957 . . . . 1.22 109.719 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.7 2.36 83.22 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.883 -1.287 . . . . 1.53 109.883 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -87.21 106.39 17.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.084 -1.245 . . . . 4.21 109.571 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 16.5 pt-20 -49.84 159.81 0.7 Allowed Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.22 -0.925 . . . . 5.68 109.408 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 1.7 Cg_endo -68.14 -3.73 11.27 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.272 1.982 . . . . 5.57 110.532 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . 0.402 ' OXT' ' O ' ' B' ' 359' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.403 0 CA-C-O 117.929 -1.484 . . . . 7.2 109.521 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mttt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.245 0.545 . . . . 8.96 109.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' C' ' 321' ' ' LYS . 5.3 tttt 62.3 100.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.194 -0.941 . . . . 8.15 109.382 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 26.3 mttt 59.93 92.16 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 7.15 109.43 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -58.66 -154.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.002 1.802 . . . . 4.35 109.907 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.62 111.6 16.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.115 -0.991 . . . . 4.63 109.397 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.02 -163.37 0.59 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.872 . . . . 2.85 109.578 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.47 163.39 51.5 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.239 -1.545 . . . . 1.12 109.239 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -56.99 140.67 48.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.169 -1.195 . . . . 2.11 109.195 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 5.5 m-85 -94.28 157.21 16.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.235 -0.916 . . . . 0.64 109.545 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.2 m-85 -140.15 -167.81 2.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.49 109.661 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 15.3 p -153.06 159.81 42.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.47 109.615 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.4 tp -147.61 134.43 20.1 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.32 -0.862 . . . . 0.42 109.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.02 127.86 34.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 1.81 109.392 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 43.4 mt -123.75 118.27 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.42 109.601 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.07 152.87 39.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.875 . . . . 2.35 109.419 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.26 130.74 2.35 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.73 -1.348 . . . . 0.41 109.73 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.4 ttt180 -78.87 -47.65 16.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -1.126 . . . . 2.59 109.293 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.44 -50.28 74.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 2.54 109.355 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.63 -39.16 87.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.317 -0.864 . . . . 3.39 109.453 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' A' ' 329' ' ' THR . 60.3 t80 -55.17 -55.31 32.63 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.369 -0.832 . . . . 0.47 109.438 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -50.96 -38.42 50.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 1.66 110.016 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.2 ttp -62.43 -48.89 77.69 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.214 -0.929 . . . . 0.61 110.223 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.38 -52.69 64.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.131 -0.981 . . . . 0.33 109.394 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -51.05 -38.92 54.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.45 -0.781 . . . . 3.28 109.806 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.65 -43.68 97.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 1.78 109.854 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' C' ' 344' ' ' LEU . 71.5 mt -62.39 -41.33 98.57 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.103 -0.998 . . . . 0.38 109.367 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -58.29 -50.5 73.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 1.2 109.611 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.91 -33.13 74.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.12 110.214 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.7 -52.82 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.167 -0.958 . . . . 0.26 109.989 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.0 mt -60.77 -40.6 93.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.246 -0.909 . . . . 0.4 109.579 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.83 -36.97 77.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 2.09 109.615 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.632 HD21 ' NE2' ' D' ' 354' ' ' GLN . 14.2 tp -64.1 -42.21 96.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.193 -0.942 . . . . 0.75 109.355 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.533 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . 5.6 ttmm -61.67 -48.65 79.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.396 -0.815 . . . . 2.19 108.956 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -56.77 -30.42 63.6 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.665 -0.647 . . . . 1.34 109.747 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.09 89.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.72 109.806 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' D' ' 350' ' ' LEU . 33.5 mt-30 -82.0 -7.6 59.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.207 -0.933 . . . . 1.8 109.651 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.15 -5.04 32.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.166 -0.959 . . . . 1.39 109.714 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.87 2.48 83.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.817 -1.313 . . . . 1.66 109.817 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.27 106.51 17.96 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -1.216 . . . . 4.45 109.524 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.455 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 16.0 pt-20 -49.93 159.81 0.72 Allowed Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.172 -0.955 . . . . 6.19 109.315 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 1.9 Cg_endo -68.26 -3.6 11.14 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.264 1.976 . . . . 5.58 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . 0.4 ' OXT' ' O ' ' C' ' 359' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.969 -1.462 . . . . 6.9 109.476 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.0 mttt . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.536 -0.542 . . . . 7.36 109.536 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' D' ' 321' ' ' LYS . 5.3 tttt 62.84 100.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.254 -0.904 . . . . 7.15 109.406 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 25.3 mttt 59.84 91.86 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 6.5 109.367 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -58.62 -154.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 121.993 1.795 . . . . 4.5 109.923 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.69 111.64 16.18 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 4.32 109.352 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.23 -163.13 0.57 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.305 -0.872 . . . . 2.46 109.496 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.58 163.19 51.81 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.268 -1.533 . . . . 0.97 109.268 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.91 140.44 48.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.145 -1.209 . . . . 1.67 109.141 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 5.2 m-85 -94.18 157.28 16.14 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.61 109.447 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.454 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.3 m-85 -140.23 -167.68 2.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -0.925 . . . . 0.56 109.594 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 15.2 p -152.82 160.5 43.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.959 . . . . 0.43 109.541 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.4 tp -148.37 134.03 18.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.281 -0.887 . . . . 0.35 109.404 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -85.74 128.15 34.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 1.37 109.419 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.2 mt -123.96 118.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.149 -0.969 . . . . 0.48 109.578 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 152.45 40.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.347 -0.845 . . . . 2.08 109.399 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.86 130.65 2.56 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.694 -1.362 . . . . 0.4 109.694 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 35.7 ttt180 -78.78 -47.51 16.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.163 -1.199 . . . . 2.64 109.305 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -58.74 -50.27 74.56 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.163 -0.96 . . . . 2.22 109.369 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.61 -39.04 86.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.348 -0.845 . . . . 2.74 109.393 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' B' ' 329' ' ' THR . 60.6 t80 -55.1 -55.32 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.357 -0.839 . . . . 0.43 109.536 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -50.86 -38.62 50.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.487 -0.758 . . . . 1.69 110.021 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -62.51 -48.61 78.78 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.28 -0.888 . . . . 0.43 110.255 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.57 -52.74 63.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.067 -1.02 . . . . 0.27 109.34 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.462 -0.774 . . . . 2.45 109.836 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -60.74 -43.55 97.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.205 -0.935 . . . . 1.75 109.829 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' D' ' 344' ' ' LEU . 71.5 mt -62.37 -41.64 98.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.213 -0.93 . . . . 0.31 109.333 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -58.16 -50.3 73.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -0.847 . . . . 1.22 109.638 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.462 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.2 mm-40 -62.96 -33.5 75.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.324 -0.86 . . . . 1.73 110.152 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.65 -52.53 65.1 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.28 110.038 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.2 mt -60.77 -40.95 94.47 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.269 -0.895 . . . . 0.31 109.592 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.65 -36.77 77.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.26 -0.9 . . . . 1.91 109.562 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.533 ' CD2' ' HA ' ' C' ' 351' ' ' LYS . 14.0 tp -64.31 -42.24 96.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.202 -0.936 . . . . 0.43 109.429 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -61.56 -48.68 79.9 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.379 -0.826 . . . . 1.57 108.957 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -56.73 -30.52 63.61 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.602 -0.686 . . . . 1.44 109.695 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.16 90.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.302 -0.874 . . . . 0.64 109.725 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.632 ' NE2' HD21 ' C' ' 350' ' ' LEU . 32.3 mt-30 -81.97 -7.72 59.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.235 -0.915 . . . . 1.21 109.585 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.13 -5.06 32.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.886 . . . . 1.22 109.701 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.07 2.41 84.15 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.767 -1.333 . . . . 1.5 109.767 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -87.17 106.57 17.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.104 -1.233 . . . . 4.18 109.422 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 16.2 pt-20 -49.84 160.01 0.68 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.27 -0.894 . . . . 5.67 109.38 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -68.19 -3.49 10.87 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.177 1.918 . . . . 5.65 110.645 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 CA-C-O 118.024 -1.431 . . . . 7.27 109.528 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.502 -0.555 . . . . 7.33 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 22.8 mtmt 59.74 108.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.392 -0.817 . . . . 7.21 109.794 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.427 ' HG3' ' HD2' ' A' ' 322' ' ' PRO . 4.4 tptm 64.06 126.94 0.02 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.274 -0.891 . . . . 6.47 109.819 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.427 ' HD2' ' HG3' ' A' ' 321' ' ' LYS . 6.3 Cg_exo -58.97 -146.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.125 1.884 . . . . 4.53 110.015 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.44 135.27 39.42 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.128 -0.983 . . . . 4.35 109.268 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.496 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 2.1 m-20 -79.64 112.83 17.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.303 -0.873 . . . . 2.48 109.855 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.567 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.2 -176.48 13.8 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.362 -1.495 . . . . 0.98 109.362 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.88 122.96 17.74 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.179 -1.189 . . . . 1.7 109.918 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 33.9 m-85 -98.93 159.36 15.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.114 -0.991 . . . . 0.61 109.514 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -139.43 -169.71 2.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.358 -0.839 . . . . 0.58 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 20.8 p -153.09 158.64 42.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.42 109.54 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.67 132.96 16.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.301 -0.874 . . . . 0.36 109.475 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.73 33.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 1.37 109.257 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.4 mt -123.61 117.06 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -0.95 . . . . 0.47 109.412 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.36 149.89 42.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 2.1 109.523 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.31 0.94 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.624 -1.39 . . . . 0.42 109.624 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -68.75 -47.14 67.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.285 -1.126 . . . . 2.68 109.55 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.06 -48.19 80.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -0.838 . . . . 2.22 109.625 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.53 -38.25 83.83 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.325 -0.86 . . . . 2.77 109.567 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' A' ' 332' ' ' ILE . 65.9 t80 -54.97 -54.41 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.383 -0.823 . . . . 0.43 109.776 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.51 50.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.366 -0.834 . . . . 1.66 110.026 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -62.98 -48.08 80.37 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.13 -0.981 . . . . 0.44 110.197 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.456 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.2 m-85 -60.86 -51.98 67.01 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.29 109.321 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -51.13 -38.62 53.06 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.346 -0.846 . . . . 2.44 109.737 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.22 97.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.105 -0.997 . . . . 1.74 109.959 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 54.4 mt -62.02 -44.06 97.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.333 -0.854 . . . . 0.3 109.486 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -57.98 -47.55 82.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.314 -0.866 . . . . 1.22 109.674 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.61 -34.17 76.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 1.72 109.818 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -55.9 28.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.27 109.807 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.15 -35.86 78.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.29 109.314 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.88 -39.13 84.27 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -0.916 . . . . 1.91 109.338 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.671 HD21 ' NE2' ' B' ' 354' ' ' GLN . 12.7 tp -63.83 -39.04 93.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.41 109.376 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -49.67 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.355 -0.841 . . . . 1.56 108.943 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.29 -30.66 60.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.76 -0.588 . . . . 1.43 109.576 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.59 -49.12 69.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.66 109.381 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.889 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.47 -4.43 55.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.24 -0.913 . . . . 1.18 109.444 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.78 -4.91 30.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.216 -0.927 . . . . 1.23 109.813 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.33 -6.06 89.04 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.736 -1.346 . . . . 1.54 109.736 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.66 107.27 18.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.301 -1.117 . . . . 4.18 109.391 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.49 130.66 26.28 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.293 -0.879 . . . . 5.71 109.623 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.59 142.44 94.67 Favored 'Trans proline' 0 C--N 1.312 -1.35 0 C-N-CA 122.068 1.845 . . . . 5.61 110.178 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.861 -1.522 . . . . 7.24 109.607 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.487 -0.561 . . . . 7.34 109.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 22.7 mtmt 59.82 108.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.328 -0.857 . . . . 7.17 109.765 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.426 ' HG3' ' HD2' ' B' ' 322' ' ' PRO . 4.4 tptm 64.01 126.89 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 6.44 109.874 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.426 ' HD2' ' HG3' ' B' ' 321' ' ' LYS . 6.3 Cg_exo -58.98 -146.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.187 0 C-N-CA 122.103 1.868 . . . . 4.54 109.978 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -76.42 135.3 39.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 4.32 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.486 ' HB3' ' CE1' ' B' ' 327' ' ' TYR . 2.1 m-20 -79.71 112.73 17.27 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 2.47 109.911 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.07 -176.54 13.27 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.386 -1.486 . . . . 0.95 109.386 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.81 123.01 17.82 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -1.15 . . . . 1.61 109.933 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 33.8 m-85 -99.01 159.42 14.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.162 -0.961 . . . . 0.57 109.478 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 70.0 m-85 -139.43 -169.72 2.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.348 -0.845 . . . . 0.53 109.38 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.6 p -153.09 158.69 42.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.139 -0.976 . . . . 0.38 109.502 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.71 133.0 16.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.893 . . . . 0.36 109.497 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.92 134.78 33.86 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.256 -0.903 . . . . 1.36 109.262 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.599 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.0 mt -123.78 116.98 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.107 -0.995 . . . . 0.49 109.385 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -73.29 149.92 42.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.261 -0.899 . . . . 2.1 109.535 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.09 122.22 0.94 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.627 -1.389 . . . . 0.44 109.627 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -68.7 -47.08 67.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -1.132 . . . . 2.72 109.62 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -58.02 -48.35 80.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.958 . . . . 2.21 109.616 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.43 -38.28 83.6 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.334 -0.854 . . . . 2.79 109.526 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.599 ' CD1' HD12 ' B' ' 332' ' ' ILE . 65.6 t80 -54.95 -54.49 42.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.435 -0.791 . . . . 0.45 109.724 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.57 -37.46 49.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.346 -0.846 . . . . 1.68 110.077 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.01 -48.06 80.42 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.097 -1.002 . . . . 0.43 110.248 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.4 m-85 -60.94 -51.89 67.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.28 109.359 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -51.03 -38.79 53.57 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.33 -0.856 . . . . 2.52 109.724 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.99 -44.23 97.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.198 -0.939 . . . . 1.75 109.96 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 54.2 mt -62.15 -43.77 98.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -0.853 . . . . 0.31 109.574 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.11 -47.43 83.28 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.344 -0.848 . . . . 1.21 109.693 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -62.65 -34.16 76.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 1.69 109.792 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.774 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -55.82 29.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.294 -0.879 . . . . 0.27 109.821 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.21 -35.85 78.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.37 -0.831 . . . . 0.3 109.341 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -59.83 -39.1 83.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.327 -0.858 . . . . 1.93 109.383 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.889 HD21 ' NE2' ' A' ' 354' ' ' GLN . 12.7 tp -63.96 -39.0 93.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.269 -0.895 . . . . 0.4 109.299 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.1 OUTLIER -62.05 -49.64 75.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 1.59 108.966 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -55.28 -30.59 60.42 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.64 -0.663 . . . . 1.43 109.663 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.73 -49.15 69.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.65 109.397 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.671 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.32 -4.43 55.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.268 -0.895 . . . . 1.19 109.597 179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.75 -4.89 30.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.916 . . . . 1.22 109.815 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.32 -6.09 89.03 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.736 -1.346 . . . . 1.53 109.736 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 107.16 18.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.223 -1.163 . . . . 4.21 109.375 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.41 130.73 25.75 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.326 -0.859 . . . . 5.68 109.542 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.71 142.44 94.11 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.978 1.786 . . . . 5.57 110.28 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 117.963 -1.465 . . . . 7.2 109.634 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 3.2 tttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.331 0.586 . . . . 8.96 109.485 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 22.7 mtmt 59.83 108.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.262 -0.899 . . . . 8.15 109.664 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.42 ' HG3' ' HD2' ' C' ' 322' ' ' PRO . 4.4 tptm 64.06 126.85 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.252 -0.905 . . . . 7.15 109.883 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.42 ' HD2' ' HG3' ' C' ' 321' ' ' LYS . 6.2 Cg_exo -58.92 -146.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.121 1.881 . . . . 4.35 110.055 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 82.8 mt -76.4 135.35 39.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.981 -1.074 . . . . 4.63 109.228 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.485 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 2.1 m-20 -79.74 112.72 17.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.406 -0.809 . . . . 2.85 109.841 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.555 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.09 -176.68 13.61 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.37 -1.492 . . . . 1.12 109.37 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.56 122.97 17.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.207 -1.173 . . . . 2.11 109.988 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 33.8 m-85 -99.04 159.41 14.99 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.078 -1.014 . . . . 0.64 109.401 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -139.45 -169.68 2.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.26 -0.9 . . . . 0.49 109.38 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 20.7 p -153.12 158.58 42.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -0.96 . . . . 0.47 109.603 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.61 133.07 16.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.337 -0.852 . . . . 0.42 109.397 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 134.73 33.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.81 109.359 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.604 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.5 mt -123.71 116.91 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.178 -0.951 . . . . 0.42 109.473 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -73.12 149.88 42.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.294 -0.879 . . . . 2.35 109.506 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.15 122.09 0.94 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.638 -1.385 . . . . 0.41 109.638 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -68.53 -47.17 67.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -1.137 . . . . 2.59 109.665 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -57.96 -48.28 80.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 2.54 109.608 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.52 -38.23 83.74 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.349 -0.844 . . . . 3.39 109.469 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' C' ' 332' ' ' ILE . 65.4 t80 -55.05 -54.4 43.55 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.436 -0.79 . . . . 0.47 109.681 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -51.54 -37.52 49.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.371 -0.831 . . . . 1.66 110.044 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.6 ttp -63.02 -47.98 80.73 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.158 -0.964 . . . . 0.61 110.228 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.467 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.2 m-85 -60.95 -51.9 67.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.152 -0.967 . . . . 0.33 109.382 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.1 -38.67 53.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 3.28 109.734 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.02 -44.25 97.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.155 -0.966 . . . . 1.78 109.929 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' D' ' 344' ' ' LEU . 54.2 mt -62.06 -43.98 97.67 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.154 -0.966 . . . . 0.38 109.5 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -57.98 -47.41 83.07 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.356 -0.84 . . . . 1.2 109.797 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.67 -34.2 76.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.319 -0.863 . . . . 2.12 109.718 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.91 -55.78 29.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.26 109.781 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.21 -35.98 78.65 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.24 -0.912 . . . . 0.4 109.214 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.79 -39.18 84.08 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.265 -0.897 . . . . 2.09 109.373 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.715 HD21 ' NE2' ' D' ' 354' ' ' GLN . 12.7 tp -63.7 -39.24 93.82 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -0.86 . . . . 0.75 109.33 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.98 -49.65 75.25 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.875 . . . . 2.19 109.073 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.15 -30.7 60.37 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.63 -0.669 . . . . 1.34 109.706 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -49.0 70.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.222 -0.924 . . . . 0.72 109.429 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.778 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.51 -4.45 55.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.862 . . . . 1.8 109.536 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.82 -4.87 30.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -0.914 . . . . 1.39 109.82 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.35 -5.95 89.13 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.761 -1.336 . . . . 1.66 109.761 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 107.26 18.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -1.179 . . . . 4.45 109.269 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.5 130.79 26.42 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.211 -0.931 . . . . 6.19 109.548 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.75 142.42 93.87 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.135 1.89 . . . . 5.58 110.256 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.934 -1.481 . . . . 6.9 109.686 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.4 -0.592 . . . . 7.36 109.4 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt 59.89 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.26 -0.9 . . . . 7.15 109.601 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.427 ' HG3' ' HD2' ' D' ' 322' ' ' PRO . 4.4 tptm 64.18 126.86 0.02 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.897 . . . . 6.5 109.789 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.427 ' HD2' ' HG3' ' D' ' 321' ' ' LYS . 6.3 Cg_exo -58.96 -146.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.144 1.896 . . . . 4.5 110.051 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -76.4 135.32 39.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.965 -1.084 . . . . 4.32 109.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' D' ' 327' ' ' TYR . 2.1 m-20 -79.75 112.68 17.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.368 -0.832 . . . . 2.46 109.906 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.558 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.13 -176.56 13.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.327 -1.509 . . . . 0.97 109.327 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.73 122.83 17.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.203 -1.174 . . . . 1.67 109.971 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.558 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 34.0 m-85 -98.86 159.39 14.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.051 -1.031 . . . . 0.61 109.554 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.1 m-85 -139.4 -169.74 2.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.352 -0.843 . . . . 0.56 109.409 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.1 158.53 42.02 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.115 -0.991 . . . . 0.43 109.604 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -149.64 132.99 16.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.294 -0.879 . . . . 0.35 109.458 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 134.78 33.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.915 . . . . 1.37 109.303 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.596 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.77 117.03 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.131 -0.98 . . . . 0.48 109.395 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -73.27 149.84 42.43 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 2.08 109.527 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.17 121.99 0.93 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.691 -1.364 . . . . 0.4 109.691 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.529 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -68.47 -47.08 68.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 2.64 109.764 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -58.04 -48.13 81.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.222 -0.923 . . . . 2.22 109.731 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.6 -38.24 84.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.213 -0.93 . . . . 2.74 109.491 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.596 ' CD1' HD12 ' D' ' 332' ' ' ILE . 65.7 t80 -55.0 -54.38 43.74 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.43 109.797 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -51.54 -37.45 49.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.256 -0.903 . . . . 1.69 110.081 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.7 ttp -63.15 -48.03 80.17 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.152 -0.968 . . . . 0.43 110.126 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.3 m-85 -60.9 -51.96 67.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.162 -0.961 . . . . 0.27 109.383 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -51.01 -38.79 53.48 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.407 -0.808 . . . . 2.45 109.685 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.0 -44.18 97.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.174 -0.954 . . . . 1.75 109.939 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.468 HD22 HD22 ' C' ' 344' ' ' LEU . 54.6 mt -62.13 -43.9 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.31 109.556 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -58.09 -47.4 83.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.171 -0.956 . . . . 1.22 109.679 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.78 -34.08 76.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.73 109.661 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -55.95 27.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 0.28 109.801 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.97 -35.95 78.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.43 -0.794 . . . . 0.31 109.454 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.83 -39.23 84.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.253 -0.904 . . . . 1.91 109.333 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.778 HD21 ' NE2' ' C' ' 354' ' ' GLN . 12.7 tp -63.79 -39.08 93.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.272 -0.893 . . . . 0.43 109.364 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -49.64 75.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 1.57 108.986 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.27 -30.74 60.7 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.712 -0.617 . . . . 1.44 109.619 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.53 -49.13 70.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.217 -0.927 . . . . 0.64 109.46 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.715 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -81.44 -4.45 55.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.284 -0.885 . . . . 1.21 109.539 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.82 -4.71 29.44 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.372 -0.83 . . . . 1.22 109.92 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.44 -6.03 89.01 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.663 -1.375 . . . . 1.5 109.663 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 107.34 18.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -1.178 . . . . 4.18 109.311 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -50.57 130.71 26.91 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.987 . . . . 5.67 109.582 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.59 142.43 94.66 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.067 1.844 . . . . 5.65 110.248 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.99 -1.45 . . . . 7.27 109.636 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.403 ' C ' ' HG3' ' A' ' 320' ' ' LYS . 13.3 mmtm . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.539 -0.541 . . . . 7.33 109.539 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.403 ' HG3' ' C ' ' A' ' 319' ' ' LYS . 8.2 mtpt 56.08 92.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 7.21 109.376 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 51.1 mttt 55.72 67.37 3.02 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.208 -0.932 . . . . 6.47 109.046 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -66.68 -3.21 8.85 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.255 1.97 . . . . 4.53 111.081 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.54 96.4 8.04 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.892 -1.13 . . . . 4.35 109.448 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.487 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 3.5 m-20 -83.01 -162.58 0.62 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.396 -0.815 . . . . 2.48 109.479 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.7 -179.96 20.86 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.455 -1.458 . . . . 0.98 109.455 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.19 136.27 57.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.363 -1.081 . . . . 1.7 109.581 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -93.05 161.58 14.38 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.303 -0.873 . . . . 0.61 109.545 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.5 m-85 -138.84 -171.56 3.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.246 -0.909 . . . . 0.58 109.387 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 328' ' ' PHE . 9.4 p -154.96 152.62 29.92 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.14 -0.975 . . . . 0.42 109.616 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.26 129.77 15.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.258 -0.901 . . . . 0.36 109.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 13.7 tt0 -86.44 134.9 33.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.436 -0.79 . . . . 1.37 109.527 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 28.0 mt -123.71 115.23 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.248 -0.908 . . . . 0.47 109.413 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.49 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.0 OUTLIER -73.7 141.74 46.39 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 2.1 109.669 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.85 -1.3 . . . . 0.42 109.85 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.2 OUTLIER -70.78 -50.6 34.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -1.055 . . . . 2.68 109.355 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.76 -44.52 90.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.257 -0.902 . . . . 2.22 109.611 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH1' ' CG ' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -44.95 86.15 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.174 -0.954 . . . . 2.77 109.928 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.647 ' HD1' HD12 ' A' ' 332' ' ' ILE . 25.7 t80 -55.26 -58.8 6.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.325 -0.859 . . . . 0.43 109.712 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -50.91 -34.92 30.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.169 -0.957 . . . . 1.66 110.016 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.73 -52.38 57.36 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.189 -0.944 . . . . 0.44 110.517 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -60.91 -54.38 45.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.148 -0.97 . . . . 0.29 109.363 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.27 -36.75 32.7 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.414 -0.804 . . . . 2.44 109.435 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.32 -43.97 97.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.218 -0.926 . . . . 1.74 109.641 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' B' ' 344' ' ' LEU . 72.5 mt -62.33 -46.27 89.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.348 -0.845 . . . . 0.3 109.608 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.39 -43.72 88.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.324 -0.86 . . . . 1.22 109.923 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -39.21 93.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.288 -0.882 . . . . 1.72 109.978 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.88 -53.52 56.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 0.27 110.037 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.29 -39.55 90.86 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 0.29 109.774 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.0 -37.56 82.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 1.91 109.823 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.789 HD21 ' NE2' ' B' ' 354' ' ' GLN . 28.1 tp -64.53 -43.4 94.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.41 109.81 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 35.2 ttmt -63.53 -44.91 92.85 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.878 . . . . 1.56 108.9 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.84 -36.24 72.01 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.646 -0.658 . . . . 1.43 109.619 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.04 72.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.461 -0.775 . . . . 0.66 109.865 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.791 ' NE2' HD21 ' B' ' 350' ' ' LEU . 5.3 mt-30 -82.85 -8.96 59.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 1.18 109.626 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.7 -5.49 38.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 1.23 109.496 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.37 18.9 26.3 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.044 -1.222 . . . . 1.54 110.044 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.12 115.19 23.54 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.063 -1.257 . . . . 4.18 109.439 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 153.0 3.27 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.26 -0.9 . . . . 5.71 109.558 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.87 150.92 80.98 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.254 1.969 . . . . 5.61 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.511 -1.436 . . . . 7.24 109.511 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.405 ' C ' ' HG3' ' B' ' 320' ' ' LYS . 13.2 mmtm . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.551 -0.537 . . . . 7.34 109.551 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' B' ' 319' ' ' LYS . 8.2 mtpt 55.97 92.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.303 -0.873 . . . . 7.17 109.463 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 51.0 mttt 55.84 67.22 3.05 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.209 -0.932 . . . . 6.44 109.114 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -66.66 -3.19 8.8 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.29 1.993 . . . . 4.54 111.015 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 89.2 mt -82.47 96.37 7.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.886 -1.134 . . . . 4.32 109.474 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.445 ' HB3' ' HD2' ' D' ' 333' ' ' ARG . 3.5 m-20 -83.03 -162.45 0.6 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.438 -0.789 . . . . 2.47 109.407 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 -179.77 20.12 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.429 -1.469 . . . . 0.95 109.429 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -59.37 136.41 57.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.129 -1.218 . . . . 1.61 109.48 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -93.22 161.56 14.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.256 -0.902 . . . . 0.57 109.461 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.5 m-85 -138.81 -171.59 3.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 0.53 109.351 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.2 p -154.99 152.67 29.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.38 109.669 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.76 15.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.389 -0.819 . . . . 0.36 109.335 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 13.8 tt0 -86.35 134.94 33.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.348 -0.845 . . . . 1.36 109.538 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.664 HD13 ' HB2' ' B' ' 341' ' ' PHE . 27.7 mt -123.73 115.2 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.49 109.449 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.64 141.7 46.51 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 2.1 109.588 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.61 133.75 8.0 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.853 -1.299 . . . . 0.44 109.853 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.2 OUTLIER -70.84 -50.66 32.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.347 -1.09 . . . . 2.72 109.32 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.71 -44.53 90.38 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.355 -0.841 . . . . 2.21 109.606 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' CG ' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.56 -45.01 85.7 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.18 -0.95 . . . . 2.79 109.925 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.656 ' HD1' HD12 ' B' ' 332' ' ' ILE . 25.9 t80 -55.21 -58.76 6.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.236 -0.915 . . . . 0.45 109.744 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -50.98 -34.97 31.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.68 109.995 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.63 -52.45 57.31 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.084 -1.01 . . . . 0.43 110.496 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.664 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.9 m-85 -60.87 -54.46 44.84 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.108 -0.995 . . . . 0.28 109.331 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -50.15 -36.72 31.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.306 -0.871 . . . . 2.52 109.526 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.31 -43.98 97.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.909 . . . . 1.75 109.761 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.907 HD22 HD22 ' A' ' 344' ' ' LEU . 72.4 mt -62.3 -46.2 89.82 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.328 -0.858 . . . . 0.31 109.691 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.45 -43.76 88.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 1.21 109.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 0.8 OUTLIER -63.54 -39.2 93.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.366 -0.833 . . . . 1.69 109.943 -179.602 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.722 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.98 -53.41 58.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 0.27 110.068 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.42 -39.45 90.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.3 109.709 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.05 -37.52 82.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 1.93 109.899 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.791 HD21 ' NE2' ' A' ' 354' ' ' GLN . 28.0 tp -64.55 -43.3 94.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.4 109.857 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -63.51 -45.1 92.21 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.272 -0.892 . . . . 1.59 108.903 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.672 -0.643 . . . . 1.43 109.609 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -32.09 72.92 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.373 -0.829 . . . . 0.65 109.824 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 350' ' ' LEU . 5.3 mt-30 -82.68 -9.1 59.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 1.19 109.646 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.8 -5.23 36.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.179 -0.95 . . . . 1.22 109.556 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.52 18.85 27.19 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.966 -1.253 . . . . 1.53 109.966 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -86.07 115.13 23.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.183 -1.187 . . . . 4.21 109.406 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.82 152.89 3.25 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 5.68 109.633 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.79 150.96 80.25 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.211 1.941 . . . . 5.57 110.333 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.506 -1.438 . . . . 7.2 109.506 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.468 -0.567 . . . . 8.96 109.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt 56.11 92.76 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.219 -0.926 . . . . 8.15 109.39 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 51.1 mttt 55.74 67.32 3.03 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.149 -0.969 . . . . 7.15 109.078 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -66.56 -3.32 8.89 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.323 2.015 . . . . 4.35 111.023 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 89.4 mt -82.56 96.38 8.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.929 -1.107 . . . . 4.63 109.462 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.49 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 3.5 m-20 -82.91 -162.49 0.6 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.469 -0.769 . . . . 2.85 109.509 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 -179.86 20.43 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.489 -1.444 . . . . 1.12 109.489 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.15 136.32 57.91 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.264 -1.139 . . . . 2.11 109.554 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -93.17 161.68 14.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.293 -0.879 . . . . 0.64 109.497 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.5 m-85 -138.94 -171.61 3.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.49 109.301 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.491 HG23 ' O ' ' C' ' 328' ' ' PHE . 9.2 p -155.03 152.64 29.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.087 -1.008 . . . . 0.47 109.735 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.3 129.7 15.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.42 109.448 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 13.9 tt0 -86.36 134.89 33.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.318 -0.864 . . . . 1.81 109.617 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' C' ' 341' ' ' PHE . 27.8 mt -123.7 115.37 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.22 -0.925 . . . . 0.42 109.352 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.487 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.92 141.68 45.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.247 -0.908 . . . . 2.35 109.588 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.64 133.74 8.0 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.848 -1.301 . . . . 0.41 109.848 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.2 OUTLIER -70.79 -50.64 33.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.395 -1.062 . . . . 2.59 109.36 179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.49 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 2.54 109.651 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' CG ' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -44.9 86.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.179 -0.951 . . . . 3.39 109.936 -179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.664 ' HD1' HD12 ' C' ' 332' ' ' ILE . 25.6 t80 -55.25 -58.74 6.45 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.307 -0.871 . . . . 0.47 109.756 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -50.95 -34.95 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 1.66 110.03 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.72 -52.34 57.59 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.218 -0.926 . . . . 0.61 110.502 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.05 -54.27 46.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.119 -0.988 . . . . 0.33 109.39 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.24 -36.75 32.46 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.314 -0.867 . . . . 3.28 109.438 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.28 -44.01 97.51 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 1.78 109.7 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' D' ' 344' ' ' LEU . 72.0 mt -62.35 -46.2 89.77 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.38 109.584 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.41 -43.85 88.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.315 -0.866 . . . . 1.2 109.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.43 -39.26 94.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.352 -0.842 . . . . 2.12 110.033 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -53.43 58.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.282 -0.886 . . . . 0.26 110.096 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.39 -39.52 90.99 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.333 -0.854 . . . . 0.4 109.782 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -61.07 -37.47 82.78 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.258 -0.901 . . . . 2.09 109.883 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' D' ' 354' ' ' GLN . 28.0 tp -64.5 -43.36 94.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.219 -0.926 . . . . 0.75 109.881 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.46 -44.97 92.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.386 -0.821 . . . . 2.19 109.021 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.75 -36.31 71.9 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.616 -0.677 . . . . 1.34 109.696 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.21 -32.13 72.98 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.851 . . . . 0.72 109.908 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' D' ' 350' ' ' LEU . 5.3 mt-30 -82.66 -8.92 59.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.12 -0.988 . . . . 1.8 109.633 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.89 -5.3 37.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.132 -0.98 . . . . 1.39 109.474 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 18.91 26.63 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 110.046 -1.221 . . . . 1.66 110.046 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -86.16 115.09 23.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.069 -1.254 . . . . 4.45 109.373 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.8 152.9 3.22 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.209 -0.932 . . . . 6.19 109.666 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.73 150.93 80.06 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.248 1.966 . . . . 5.58 110.294 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 117.954 -1.47 . . . . 6.9 109.511 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.407 ' C ' ' HG3' ' D' ' 320' ' ' LYS . 13.2 mmtm . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.515 -0.55 . . . . 7.36 109.515 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' D' ' 319' ' ' LYS . 8.2 mtpt 56.23 92.62 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.301 -0.875 . . . . 7.15 109.398 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 50.9 mttt 55.75 67.29 3.05 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.099 -1.0 . . . . 6.5 109.13 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -66.58 -3.19 8.7 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.289 1.993 . . . . 4.5 111.043 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 88.9 mt -82.61 96.41 8.09 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.929 -1.107 . . . . 4.32 109.492 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' B' ' 333' ' ' ARG . 3.5 m-20 -82.91 -162.55 0.61 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.421 -0.8 . . . . 2.46 109.467 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 -179.82 20.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.458 -1.457 . . . . 0.97 109.458 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.27 136.25 57.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.222 -1.163 . . . . 1.67 109.562 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -93.16 161.67 14.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.61 109.462 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.86 -171.6 3.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.229 -0.919 . . . . 0.56 109.426 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.1 p -155.0 152.66 29.93 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.94 . . . . 0.43 109.625 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -147.38 129.79 15.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.35 109.398 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 13.8 tt0 -86.36 135.1 33.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 1.37 109.497 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.675 HD13 ' HB2' ' D' ' 341' ' ' PHE . 27.9 mt -123.9 115.34 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.48 109.325 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.445 ' HD2' ' HB3' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.81 141.71 46.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.279 -0.888 . . . . 2.08 109.615 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.58 133.76 8.0 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.2 OUTLIER -70.67 -50.73 33.55 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.364 -1.08 . . . . 2.64 109.381 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -58.74 -44.51 90.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.339 -0.851 . . . . 2.22 109.584 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' CG ' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.7 -44.89 86.2 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.157 -0.965 . . . . 2.74 109.933 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.666 ' HD1' HD12 ' D' ' 332' ' ' ILE . 26.0 t80 -55.32 -58.75 6.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.43 109.665 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -50.89 -35.06 30.91 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.267 -0.896 . . . . 1.69 109.961 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -64.61 -52.37 57.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.543 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.675 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.9 m-85 -61.01 -54.38 45.66 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.145 -0.972 . . . . 0.27 109.325 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -50.3 -36.75 33.07 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.393 -0.817 . . . . 2.45 109.438 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.23 -44.08 97.38 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.212 -0.93 . . . . 1.75 109.706 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.856 HD22 HD22 ' C' ' 344' ' ' LEU . 72.7 mt -62.28 -46.13 90.16 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.31 109.712 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.5 -43.75 89.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 1.22 109.91 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.52 -39.16 93.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.333 -0.854 . . . . 1.73 110.071 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.681 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.87 -53.48 57.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.319 -0.863 . . . . 0.28 110.087 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.36 -39.65 91.38 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.223 -0.923 . . . . 0.31 109.728 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.85 -37.58 82.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.232 -0.918 . . . . 1.91 109.937 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.725 HD21 ' NE2' ' C' ' 354' ' ' GLN . 28.0 tp -64.54 -43.31 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.43 109.816 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.41 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.2 ttmt -63.6 -45.06 92.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.294 -0.879 . . . . 1.57 108.868 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.57 -36.36 71.59 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.371 0.605 . . . . 1.44 109.655 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.09 72.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.64 109.876 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.725 ' NE2' HD21 ' C' ' 350' ' ' LEU . 5.4 mt-30 -82.71 -8.95 59.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.127 -0.983 . . . . 1.21 109.653 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.82 -5.38 37.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.165 -0.959 . . . . 1.22 109.449 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.4 18.84 26.76 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.059 -1.217 . . . . 1.5 110.059 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -86.11 115.2 23.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.08 -1.247 . . . . 4.18 109.356 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.87 152.91 3.27 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 5.67 109.624 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.78 150.83 80.86 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.208 1.939 . . . . 5.65 110.297 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.013 -1.437 . . . . 7.27 109.53 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.518 -0.549 . . . . 7.33 109.518 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 319' ' ' LYS . 2.5 ttmt 61.45 148.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 7.21 109.538 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp 59.8 89.56 0.1 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.268 -0.895 . . . . 6.47 109.497 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.71 -154.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.297 1.998 . . . . 4.53 110.258 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.69 111.69 17.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.975 . . . . 4.35 109.409 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.82 -91.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.933 . . . . 2.48 109.597 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 148.57 47.66 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.786 -1.325 . . . . 0.98 109.786 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.4 136.25 57.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -1.089 . . . . 1.7 109.569 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -94.3 157.9 15.83 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.179 -0.951 . . . . 0.61 109.541 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.96 -171.78 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.182 -0.949 . . . . 0.58 109.435 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.518 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.5 p -153.37 161.02 42.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.211 -0.931 . . . . 0.42 109.512 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.22 131.91 16.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.28 -0.888 . . . . 0.36 109.489 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.87 132.39 34.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.27 -0.893 . . . . 1.37 109.583 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' A' ' 338' ' ' PHE . 36.1 mt -123.8 121.76 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.9 . . . . 0.47 109.248 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.16 151.47 41.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.163 -0.961 . . . . 2.1 109.537 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.39 135.88 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.76 -1.336 . . . . 0.42 109.76 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.7 ttt180 -81.07 -48.54 12.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -1.14 . . . . 2.68 109.416 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.71 -46.66 84.09 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.236 -0.915 . . . . 2.22 109.203 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.779 HH12 HD22 ' C' ' 348' ' ' LEU . 7.3 tpp180 -62.45 -42.27 99.35 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.233 -0.917 . . . . 2.77 109.322 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' A' ' 332' ' ' ILE . 57.1 t80 -54.09 -49.44 69.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.367 -0.833 . . . . 0.43 109.508 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.07 -37.07 52.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 1.66 109.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 14.4 ttp -62.5 -46.69 87.28 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.242 -0.912 . . . . 0.44 109.965 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -61.34 -54.35 44.92 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.223 -0.923 . . . . 0.29 109.232 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.5 -34.96 27.12 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.463 -0.773 . . . . 2.44 109.415 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 340' ' ' MET . 11.3 tt0 -59.89 -49.86 76.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.273 -0.892 . . . . 1.74 109.578 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' B' ' 344' ' ' LEU . 90.9 mt -61.0 -34.6 75.07 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.352 -0.842 . . . . 0.3 108.813 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.55 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.0 t-20 -58.88 -53.88 53.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.433 -0.792 . . . . 1.22 109.662 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.54 -36.4 80.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.391 -0.818 . . . . 1.72 110.046 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.56 -53.18 61.1 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.285 -0.885 . . . . 0.27 110.035 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.685 HD22 HH12 ' C' ' 337' ' ' ARG . 46.8 mt -61.08 -41.26 96.33 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.359 -0.838 . . . . 0.29 109.533 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.64 -35.26 77.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.166 -0.959 . . . . 1.91 109.904 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.48 HD11 HE22 ' B' ' 354' ' ' GLN . 27.3 tp -64.06 -52.61 58.52 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 0.41 109.547 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.438 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . 27.1 ttmt -60.84 -43.33 98.45 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.484 -0.76 . . . . 1.56 109.421 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.5 -36.24 73.49 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.661 -0.649 . . . . 1.43 110.063 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.09 -32.48 73.97 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.206 -0.934 . . . . 0.66 109.596 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.454 HE22 HD11 ' B' ' 350' ' ' LEU . 16.1 mt-30 -83.45 -10.82 58.14 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.222 -0.924 . . . . 1.18 109.55 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.8 61.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 1.23 109.561 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 9.37 67.2 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.753 -1.339 . . . . 1.54 109.753 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.19 104.98 16.25 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.076 -1.249 . . . . 4.18 109.802 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 358' ' ' GLU . 3.3 pt-20 -49.01 113.24 2.93 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.327 -0.858 . . . . 5.71 109.255 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.65 116.89 3.57 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.999 1.799 . . . . 5.61 110.408 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 CA-C-O 117.962 -1.466 . . . . 7.24 109.507 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 320' ' ' LYS . 14.6 mtmt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.313 0.578 . . . . 7.34 109.544 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 2.5 ttmt 61.43 148.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 7.17 109.487 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 9.7 mtpp 59.87 89.46 0.11 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.195 -0.941 . . . . 6.44 109.395 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.75 -154.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.244 1.963 . . . . 4.54 110.222 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.63 111.59 17.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.199 -0.938 . . . . 4.32 109.473 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.76 -91.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.245 -0.909 . . . . 2.47 109.541 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.17 148.62 47.85 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.814 -1.314 . . . . 0.95 109.814 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.44 136.2 57.9 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.41 -1.053 . . . . 1.61 109.532 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.22 157.93 15.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.11 -0.994 . . . . 0.57 109.538 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.98 -171.76 3.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.206 -0.934 . . . . 0.53 109.503 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 4.6 p -153.28 161.25 42.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.127 -0.983 . . . . 0.38 109.58 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.52 131.69 16.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.908 . . . . 0.36 109.487 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.9 tt0 -85.61 132.45 34.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 1.36 109.63 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.0 mt -123.83 121.67 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -0.911 . . . . 0.49 109.337 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.14 151.42 41.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.189 -0.944 . . . . 2.1 109.544 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.8 1.9 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.8 ttt180 -80.9 -48.69 12.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.24 -1.153 . . . . 2.72 109.36 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.74 -46.58 84.27 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.326 -0.859 . . . . 2.21 109.197 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.701 HH12 HD22 ' D' ' 348' ' ' LEU . 7.3 tpp180 -62.51 -42.13 99.3 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.341 -0.849 . . . . 2.79 109.351 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.685 ' CD1' HD12 ' B' ' 332' ' ' ILE . 56.4 t80 -54.21 -49.37 69.58 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.402 -0.811 . . . . 0.45 109.416 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -52.03 -37.07 52.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.48 -0.763 . . . . 1.68 109.82 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 14.4 ttp -62.53 -46.72 87.12 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.244 -0.91 . . . . 0.43 109.964 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.567 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.2 m-85 -61.43 -54.32 45.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.233 -0.917 . . . . 0.28 109.226 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.41 -35.02 26.55 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 2.52 109.489 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' B' ' 340' ' ' MET . 11.2 tt0 -59.84 -49.85 76.1 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 1.75 109.54 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.934 HD22 HD22 ' A' ' 344' ' ' LEU . 89.7 mt -61.14 -34.67 75.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.3 -0.875 . . . . 0.31 108.648 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.531 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.1 t-20 -58.74 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.825 . . . . 1.21 109.641 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.57 -36.48 80.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.349 -0.845 . . . . 1.69 109.94 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.727 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.68 -53.1 61.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.237 -0.915 . . . . 0.27 109.991 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.835 HD22 HH12 ' D' ' 337' ' ' ARG . 45.6 mt -61.25 -40.87 95.67 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.372 -0.83 . . . . 0.3 109.594 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -61.84 -35.31 77.89 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.194 -0.941 . . . . 1.93 109.822 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.454 HD11 HE22 ' A' ' 354' ' ' GLN . 27.3 tp -64.07 -52.56 58.74 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.191 -0.943 . . . . 0.4 109.602 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.83 -43.32 98.42 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.406 -0.809 . . . . 1.59 109.459 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.6 -36.11 73.5 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.662 -0.649 . . . . 1.43 110.02 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -32.56 74.07 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.65 109.503 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.48 HE22 HD11 ' A' ' 350' ' ' LEU . 16.1 mt-30 -83.36 -10.88 58.19 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 1.19 109.475 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -26.77 61.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.162 -0.961 . . . . 1.22 109.615 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 9.41 67.37 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.77 -1.332 . . . . 1.53 109.77 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.22 104.98 16.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.145 -1.209 . . . . 4.21 109.775 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 358' ' ' GLU . 3.3 pt-20 -48.92 113.27 2.92 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.293 -0.88 . . . . 5.68 109.322 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -58.72 116.87 3.56 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.2 1.933 . . . . 5.57 110.3 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 109.528 -1.429 . . . . 7.2 109.528 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.274 0.559 . . . . 8.96 109.509 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' C' ' 319' ' ' LYS . 2.5 ttmt 61.49 148.85 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 8.15 109.466 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 9.7 mtpp 59.76 89.5 0.11 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 7.15 109.417 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -59.56 -154.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.281 1.987 . . . . 4.35 110.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.64 111.6 17.23 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.3 -0.875 . . . . 4.63 109.45 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.66 -91.96 0.05 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.159 -0.963 . . . . 2.85 109.614 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.06 148.55 47.92 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.92 -1.272 . . . . 1.12 109.92 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.37 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -1.067 . . . . 2.11 109.579 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -94.29 157.89 15.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.64 109.497 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -139.03 -171.72 3.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -0.939 . . . . 0.49 109.497 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 4.6 p -153.3 161.33 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.91 . . . . 0.47 109.497 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.62 131.75 16.36 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.347 -0.846 . . . . 0.42 109.436 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 32.9 tt0 -85.79 132.52 34.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 1.81 109.547 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.686 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.2 mt -123.95 121.69 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.42 109.256 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.17 151.43 41.52 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.234 -0.916 . . . . 2.35 109.509 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.44 135.79 1.91 Allowed Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.749 -1.34 . . . . 0.41 109.749 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.8 ttt180 -80.95 -48.65 12.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -1.071 . . . . 2.59 109.36 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.69 -46.63 84.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.298 -0.877 . . . . 2.54 109.296 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.685 HH12 HD22 ' A' ' 348' ' ' LEU . 7.4 tpp180 -62.48 -42.11 99.25 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.249 -0.907 . . . . 3.39 109.387 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.686 ' CD1' HD12 ' C' ' 332' ' ' ILE . 56.3 t80 -54.22 -49.32 69.71 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.47 109.433 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.09 -37.12 52.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -0.822 . . . . 1.66 109.78 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.417 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 14.6 ttp -62.41 -46.91 86.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.236 -0.915 . . . . 0.61 109.906 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.571 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.2 m-85 -61.3 -54.29 45.91 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.133 -0.979 . . . . 0.33 109.284 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -50.47 -35.08 27.31 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.384 -0.823 . . . . 3.28 109.341 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.431 ' HG3' ' NZ ' ' D' ' 351' ' ' LYS . 11.4 tt0 -59.79 -49.96 75.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.188 -0.945 . . . . 1.78 109.54 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' D' ' 344' ' ' LEU . 90.3 mt -60.96 -34.67 75.11 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.177 -0.952 . . . . 0.38 108.779 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.564 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.1 t-20 -58.73 -53.92 52.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.332 -0.855 . . . . 1.2 109.662 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.63 -36.53 81.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.287 -0.883 . . . . 2.12 109.961 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.35 -53.33 59.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.188 -0.945 . . . . 0.26 110.079 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.779 HD22 HH12 ' A' ' 337' ' ' ARG . 46.2 mt -61.06 -41.27 96.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 0.4 109.602 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.58 -35.29 77.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.088 -1.008 . . . . 2.09 109.877 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.592 HD11 ' NE2' ' D' ' 354' ' ' GLN . 27.2 tp -64.07 -52.65 58.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.75 109.506 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 27.1 ttmt -60.81 -43.43 98.19 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.317 -0.864 . . . . 2.19 109.413 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.56 -36.1 73.39 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.586 -0.696 . . . . 1.34 110.119 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.53 74.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.163 -0.961 . . . . 0.72 109.544 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.587 ' NE2' HD11 ' D' ' 350' ' ' LEU . 16.1 mt-30 -83.41 -10.97 58.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 1.8 109.464 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.61 -26.74 61.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 1.39 109.618 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.29 9.42 67.15 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.797 -1.321 . . . . 1.66 109.797 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.24 105.06 16.35 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -1.168 . . . . 4.45 109.7 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' C' ' 358' ' ' GLU . 3.3 pt-20 -48.92 113.33 2.97 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.272 -0.892 . . . . 6.19 109.295 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -58.78 116.85 3.55 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.106 1.87 . . . . 5.58 110.355 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 118.002 -1.443 . . . . 6.9 109.549 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' D' ' 320' ' ' LYS . 14.4 mtmt . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.459 -0.571 . . . . 7.36 109.459 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' D' ' 319' ' ' LYS . 2.5 ttmt 61.36 148.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 7.15 109.495 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 9.7 mtpp 59.8 89.53 0.1 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.346 -0.846 . . . . 6.5 109.362 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.7 -154.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.291 1.994 . . . . 4.5 110.191 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.69 111.59 17.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.209 -0.932 . . . . 4.32 109.46 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.82 -91.74 0.06 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.207 -0.933 . . . . 2.46 109.587 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 148.61 47.74 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.763 -1.335 . . . . 0.97 109.763 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.48 136.11 57.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.429 -1.042 . . . . 1.67 109.542 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -94.04 157.95 15.85 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.251 -0.905 . . . . 0.61 109.489 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.1 m-85 -138.92 -171.77 3.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.069 -1.019 . . . . 0.56 109.461 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 4.5 p -153.18 161.27 42.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.159 -0.963 . . . . 0.43 109.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.43 131.7 16.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.259 -0.901 . . . . 0.35 109.517 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.9 tt0 -85.69 132.37 34.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.37 109.607 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.69 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.8 mt -123.84 121.79 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.305 -0.872 . . . . 0.48 109.27 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.19 151.45 41.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.196 -0.94 . . . . 2.08 109.601 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 81.41 135.79 1.9 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.793 -1.323 . . . . 0.4 109.793 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.7 ttt180 -80.82 -48.71 12.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.31 -1.112 . . . . 2.64 109.48 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.77 -46.55 84.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.204 -0.935 . . . . 2.22 109.223 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.835 HH12 HD22 ' B' ' 348' ' ' LEU . 7.4 tpp180 -62.44 -42.28 99.34 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.194 -0.941 . . . . 2.74 109.276 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.69 ' CD1' HD12 ' D' ' 332' ' ' ILE . 56.9 t80 -54.11 -49.48 69.03 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.805 . . . . 0.43 109.422 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -51.97 -37.05 51.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.287 -0.883 . . . . 1.69 109.772 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 14.6 ttp -62.59 -46.73 86.97 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.076 -1.015 . . . . 0.43 109.885 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.41 -54.27 45.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.132 -0.98 . . . . 0.27 109.261 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -50.5 -35.02 27.32 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.448 -0.782 . . . . 2.45 109.399 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 11.3 tt0 -59.79 -49.96 75.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.257 -0.902 . . . . 1.75 109.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.928 HD22 HD22 ' C' ' 344' ' ' LEU . 90.8 mt -60.99 -34.66 75.13 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.306 -0.871 . . . . 0.31 108.764 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.1 t-20 -58.73 -53.93 52.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.37 -0.832 . . . . 1.22 109.674 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.68 -36.39 80.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.371 -0.83 . . . . 1.73 109.928 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.786 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.42 -53.29 59.84 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.277 -0.889 . . . . 0.28 110.068 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.701 HD22 HH12 ' B' ' 337' ' ' ARG . 47.2 mt -61.1 -41.2 96.25 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.852 . . . . 0.31 109.502 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.63 -35.28 77.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.062 -1.024 . . . . 1.91 109.879 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.587 HD11 ' NE2' ' C' ' 354' ' ' GLN . 27.3 tp -64.06 -52.72 58.03 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.43 109.563 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.431 ' NZ ' ' HG3' ' C' ' 343' ' ' GLU . 27.0 ttmt -60.69 -43.53 97.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.264 -0.897 . . . . 1.57 109.424 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -58.45 -36.1 73.14 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.669 -0.644 . . . . 1.44 110.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.51 74.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.64 109.529 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' C' ' 350' ' ' LEU . 16.1 mt-30 -83.42 -10.9 58.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.176 -0.952 . . . . 1.21 109.448 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.65 -26.71 61.75 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.877 . . . . 1.22 109.657 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 9.35 67.39 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.748 -1.341 . . . . 1.5 109.748 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -86.2 104.87 16.16 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.126 -1.22 . . . . 4.18 109.817 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' D' ' 358' ' ' GLU . 3.3 pt-20 -49.02 113.31 2.98 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.341 -0.85 . . . . 5.67 109.32 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.66 116.84 3.53 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.118 1.878 . . . . 5.65 110.43 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.986 -1.452 . . . . 7.27 109.616 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttt . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.242 0.544 . . . . 7.33 109.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 60.76 -89.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 7.21 109.711 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.13 141.1 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.189 -0.944 . . . . 6.47 109.513 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -63.38 -81.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.035 1.824 . . . . 4.53 110.459 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.85 104.89 12.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.178 -0.952 . . . . 4.35 109.549 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.09 -159.67 0.32 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.848 . . . . 2.48 109.321 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.78 158.11 52.99 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.404 -1.478 . . . . 0.98 109.404 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.48 136.97 57.64 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -1.174 . . . . 1.7 109.464 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.74 155.94 16.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.293 -0.88 . . . . 0.61 109.581 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.15 -170.21 2.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.58 109.49 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 29.0 p -154.2 158.61 40.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 0.42 109.554 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.76 129.13 13.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.229 -0.919 . . . . 0.36 109.53 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.14 129.49 34.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.261 -0.899 . . . . 1.37 109.62 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 341' ' ' PHE . 35.1 mt -124.03 121.27 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.07 -1.019 . . . . 0.47 109.396 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.68 150.5 41.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.1 109.668 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.67 134.43 6.31 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.83 -1.308 . . . . 0.42 109.83 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 23.9 ttm180 -79.4 -54.91 5.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.289 -1.124 . . . . 2.68 109.331 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.0 -41.81 88.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.371 -0.831 . . . . 2.22 109.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.68 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.2 tpp180 -62.45 -44.21 96.97 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.334 -0.853 . . . . 2.77 109.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' C' ' 329' ' ' THR . 78.4 t80 -55.1 -48.69 73.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.388 -0.82 . . . . 0.43 109.55 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.99 -36.99 51.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 1.66 109.929 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.1 ttp -62.82 -46.29 88.64 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.193 -0.942 . . . . 0.44 109.925 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.1 m-85 -61.26 -50.42 73.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.29 109.187 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.21 59.33 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.431 -0.793 . . . . 2.44 109.631 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.92 -49.04 78.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.081 -1.012 . . . . 1.74 109.637 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' B' ' 344' ' ' LEU . 95.1 mt -61.7 -33.12 73.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.3 108.95 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.99 -53.22 60.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.323 -0.86 . . . . 1.22 109.501 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.13 78.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.364 -0.835 . . . . 1.72 110.075 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.27 -51.88 67.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.25 -0.906 . . . . 0.27 109.919 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.703 HD22 HH12 ' C' ' 337' ' ' ARG . 53.9 mt -61.8 -43.14 99.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.304 -0.873 . . . . 0.29 109.585 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -59.5 -34.52 72.71 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.334 -0.854 . . . . 1.91 109.573 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.47 HD21 ' NE2' ' B' ' 354' ' ' GLN . 13.4 tp -64.61 -44.65 89.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.31 -0.869 . . . . 0.41 109.452 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.99 -46.84 87.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 1.56 109.102 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -56.54 -33.48 66.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.627 -0.671 . . . . 1.43 109.666 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -46.84 73.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.26 -0.9 . . . . 0.66 109.662 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -81.39 -4.41 55.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 1.18 109.699 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -7.41 48.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.097 -1.002 . . . . 1.23 109.822 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.78 -13.05 70.53 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.724 -1.351 . . . . 1.54 109.724 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 46.85 1.43 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.086 -1.244 . . . . 4.18 109.52 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 127.01 24.0 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.182 -0.949 . . . . 5.71 109.504 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.35 146.08 97.62 Favored 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.983 1.789 . . . . 5.61 110.351 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 118.02 -1.433 . . . . 7.24 109.573 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.564 -0.532 . . . . 7.34 109.564 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 60.85 -89.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 7.17 109.626 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.17 141.09 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.236 -0.915 . . . . 6.44 109.52 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.5 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 122.05 1.834 . . . . 4.54 110.395 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 82.1 mt -81.84 104.74 12.43 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.172 -0.955 . . . . 4.32 109.573 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -82.0 -159.84 0.32 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.436 -0.79 . . . . 2.47 109.367 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.59 158.08 52.76 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.396 -1.481 . . . . 0.95 109.396 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.46 137.11 57.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -1.112 . . . . 1.61 109.475 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -93.87 155.91 16.93 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.2 -0.937 . . . . 0.57 109.578 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.5 m-85 -139.18 -170.23 2.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.247 -0.908 . . . . 0.53 109.43 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.462 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 29.2 p -154.21 158.6 40.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.9 . . . . 0.38 109.528 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.4 tp -148.7 129.17 13.93 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.276 -0.89 . . . . 0.36 109.52 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.6 tt0 -87.13 129.63 34.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 1.36 109.651 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.625 HD13 ' CD2' ' B' ' 341' ' ' PHE . 34.6 mt -124.17 121.22 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.49 109.324 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.59 150.51 41.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 2.1 109.691 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.6 134.45 6.28 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.797 -1.321 . . . . 0.44 109.797 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 23.9 ttm180 -79.36 -54.97 5.42 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -1.115 . . . . 2.72 109.41 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.88 -42.05 88.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.473 -0.767 . . . . 2.21 109.603 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.534 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.2 tpp180 -62.08 -44.34 96.88 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.244 -0.91 . . . . 2.79 109.286 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.517 ' CE1' ' O ' ' D' ' 329' ' ' THR . 78.2 t80 -55.1 -48.69 73.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.491 -0.756 . . . . 0.45 109.571 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.01 -36.93 51.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 1.68 110.028 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.79 -46.37 88.32 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.191 -0.943 . . . . 0.43 109.92 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.625 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.6 m-85 -61.1 -50.52 72.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.186 -0.946 . . . . 0.28 109.249 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.57 -40.14 59.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.383 -0.823 . . . . 2.52 109.644 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.96 -49.12 77.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.152 -0.968 . . . . 1.75 109.61 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.706 HD22 HD22 ' A' ' 344' ' ' LEU . 94.9 mt -61.49 -33.31 73.56 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.132 -0.98 . . . . 0.31 108.97 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.94 -53.28 59.7 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.401 -0.812 . . . . 1.21 109.458 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.39 -35.18 78.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.362 -0.836 . . . . 1.69 109.959 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.71 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -51.85 67.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.27 109.992 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.648 HD22 ' NH1' ' D' ' 337' ' ' ARG . 53.4 mt -61.81 -43.23 99.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.357 -0.839 . . . . 0.3 109.59 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.59 -34.4 72.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 1.93 109.593 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' B' ' 350' ' ' LEU . 13.4 tp -64.57 -44.68 89.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.217 -0.927 . . . . 0.4 109.477 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -62.01 -46.8 87.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.461 -0.774 . . . . 1.59 109.126 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.66 -33.48 66.41 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.464 -0.772 . . . . 1.43 109.619 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.93 -46.78 73.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.369 -0.832 . . . . 0.65 109.584 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.47 ' NE2' HD21 ' A' ' 350' ' ' LEU . 3.0 mt-30 -81.42 -4.35 55.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 1.19 109.809 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.99 -7.5 49.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.129 -0.982 . . . . 1.22 109.827 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -13.08 70.83 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.736 -1.346 . . . . 1.53 109.736 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 46.8 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.133 -1.216 . . . . 4.21 109.558 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.37 126.88 22.68 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.134 -0.979 . . . . 5.68 109.602 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.12 146.04 98.08 Favored 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.032 1.821 . . . . 5.57 110.396 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 CA-C-O 118.008 -1.44 . . . . 7.2 109.548 179.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 11.8 mttt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.48 -0.563 . . . . 8.96 109.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 mttp 60.78 -89.61 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.33 -0.856 . . . . 8.15 109.663 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.2 141.19 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.146 -0.971 . . . . 7.15 109.452 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.52 -81.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.072 1.848 . . . . 4.35 110.359 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.92 104.82 12.56 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.089 -1.007 . . . . 4.63 109.556 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -81.89 -159.78 0.31 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.317 -0.865 . . . . 2.85 109.473 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 157.99 52.91 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.456 -1.458 . . . . 1.12 109.456 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.39 137.02 57.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -1.143 . . . . 2.11 109.544 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -93.71 155.92 16.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.346 -0.846 . . . . 0.64 109.486 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.8 m-85 -139.03 -170.17 2.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.49 109.485 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 29.6 p -154.26 158.57 40.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.168 -0.958 . . . . 0.47 109.652 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.4 tp -148.68 129.11 13.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.331 -0.855 . . . . 0.42 109.58 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -87.18 129.5 34.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.869 . . . . 1.81 109.664 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' C' ' 341' ' ' PHE . 34.5 mt -123.99 121.24 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.42 109.381 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.61 150.51 41.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 2.35 109.707 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.73 134.31 6.29 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 23.9 ttm180 -79.29 -55.02 5.39 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -1.151 . . . . 2.59 109.395 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.0 -41.91 88.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 2.54 109.591 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.703 HH12 HD22 ' A' ' 348' ' ' LEU . 8.2 tpp180 -62.02 -44.49 96.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.33 -0.856 . . . . 3.39 109.322 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -55.13 -48.66 73.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.408 -0.808 . . . . 0.47 109.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.94 -37.03 51.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.314 -0.866 . . . . 1.66 109.98 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.75 -46.34 88.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.221 -0.924 . . . . 0.61 109.961 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.615 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.14 -50.52 72.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.253 -0.904 . . . . 0.33 109.26 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -51.53 -40.22 59.22 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.395 -0.816 . . . . 3.28 109.581 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.93 -49.09 77.94 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.163 -0.961 . . . . 1.78 109.61 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' D' ' 344' ' ' LEU . 94.9 mt -61.59 -33.22 73.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.081 -1.012 . . . . 0.38 108.938 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.406 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.99 -53.16 61.13 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.435 -0.791 . . . . 1.2 109.515 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 0.4 OUTLIER -62.49 -35.23 78.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.413 -0.804 . . . . 2.12 110.003 -179.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.17 -51.71 68.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.26 110.052 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.68 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.3 mt -61.96 -43.1 99.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.4 109.547 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -59.5 -34.49 72.66 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.368 -0.833 . . . . 2.09 109.582 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' C' ' 350' ' ' LEU . 13.4 tp -64.66 -44.69 89.59 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.352 -0.843 . . . . 0.75 109.403 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.87 -46.92 87.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -0.858 . . . . 2.19 109.1 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.59 -33.44 66.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.582 -0.699 . . . . 1.34 109.676 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.88 73.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.378 -0.826 . . . . 0.72 109.612 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.55 ' NE2' HD21 ' D' ' 350' ' ' LEU . 2.9 mt-30 -81.4 -4.42 55.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.297 -0.877 . . . . 1.8 109.694 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -7.52 49.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.084 -1.01 . . . . 1.39 109.844 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 -12.96 70.83 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.77 -1.332 . . . . 1.66 109.77 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.72 46.94 1.44 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.219 -1.165 . . . . 4.45 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.39 126.95 22.94 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.119 -0.988 . . . . 6.19 109.52 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.29 146.05 97.77 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.968 1.779 . . . . 5.58 110.371 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.587 -1.405 . . . . 6.9 109.587 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 11.9 mttt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.324 0.583 . . . . 7.36 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 mttp 60.77 -89.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.265 -0.897 . . . . 7.15 109.663 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 65.24 141.0 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.157 -0.964 . . . . 6.5 109.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.46 -81.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.031 1.821 . . . . 4.5 110.348 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.2 mt -81.87 104.86 12.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.119 -0.988 . . . . 4.32 109.535 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -82.03 -159.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.321 -0.862 . . . . 2.46 109.407 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 158.13 52.95 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.308 -1.517 . . . . 0.97 109.308 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -58.49 137.02 57.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.237 -1.154 . . . . 1.67 109.49 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -93.76 155.92 16.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.189 -0.944 . . . . 0.61 109.575 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.8 m-85 -139.13 -169.96 2.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.56 109.504 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.517 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 28.8 p -154.39 158.59 40.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.153 -0.967 . . . . 0.43 109.482 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.5 tp -148.72 129.24 13.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.35 109.496 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 12.7 tt0 -87.23 129.56 34.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 1.37 109.625 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.624 HD13 ' CD2' ' D' ' 341' ' ' PHE . 34.5 mt -124.04 121.26 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.163 -0.961 . . . . 0.48 109.341 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.65 150.56 41.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 2.08 109.75 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.69 134.36 6.29 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.836 -1.306 . . . . 0.4 109.836 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 23.8 ttm180 -79.41 -54.9 5.48 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.332 -1.099 . . . . 2.64 109.376 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -58.92 -41.94 88.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.421 -0.8 . . . . 2.22 109.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.648 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.2 tpp180 -62.25 -44.27 96.93 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.288 -0.883 . . . . 2.74 109.279 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.462 ' CE1' ' O ' ' B' ' 329' ' ' THR . 78.0 t80 -55.11 -48.72 73.23 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.39 -0.818 . . . . 0.43 109.555 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -51.85 -37.1 50.68 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.34 -0.85 . . . . 1.69 109.96 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.0 ttp -62.74 -46.27 88.85 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.171 -0.956 . . . . 0.43 109.98 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.624 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.3 m-85 -61.24 -50.56 72.55 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.142 -0.974 . . . . 0.27 109.142 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -51.52 -40.28 59.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.446 -0.784 . . . . 2.45 109.55 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -57.8 -49.11 77.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.75 109.654 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.785 HD22 HD22 ' C' ' 344' ' ' LEU . 94.9 mt -61.6 -33.24 73.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.224 -0.922 . . . . 0.31 109.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -59.89 -53.21 60.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.382 -0.824 . . . . 1.22 109.551 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -34.95 77.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.452 -0.78 . . . . 1.73 110.03 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -51.81 67.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.291 -0.881 . . . . 0.28 109.98 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.534 HD22 ' NH1' ' B' ' 337' ' ' ARG . 53.3 mt -61.78 -43.21 99.29 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.381 -0.824 . . . . 0.31 109.565 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -59.49 -34.46 72.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 1.91 109.587 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.55 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -64.7 -44.6 89.75 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.208 -0.933 . . . . 0.43 109.527 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 36.5 ttmt -61.88 -46.93 87.28 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.404 -0.81 . . . . 1.57 109.114 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.55 -33.52 66.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.464 -0.773 . . . . 1.44 109.679 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.76 73.95 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.64 109.611 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -81.51 -4.35 55.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 1.21 109.74 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -7.51 48.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 1.22 109.826 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.75 -13.04 70.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.678 -1.369 . . . . 1.5 109.678 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.67 46.98 1.44 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.136 -1.214 . . . . 4.18 109.559 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.51 127.03 23.78 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.24 -0.912 . . . . 5.67 109.496 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.39 146.13 97.5 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 121.905 1.737 . . . . 5.65 110.377 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.969 -1.462 . . . . 7.27 109.592 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.471 -0.566 . . . . 7.33 109.471 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 28.2 mttt 57.92 25.11 11.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 7.21 109.58 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.48 90.36 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.21 -0.931 . . . . 6.47 109.454 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -67.38 -3.71 10.51 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.128 1.886 . . . . 4.53 110.546 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -85.75 61.46 6.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 4.35 109.427 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -78.58 179.08 7.31 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.48 -0.763 . . . . 2.48 109.651 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.533 ' HA3' ' CZ ' ' C' ' 333' ' ' ARG . . . -68.15 169.17 40.1 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.98 109.532 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.96 134.97 57.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.412 -1.051 . . . . 1.7 109.694 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.1 m-85 -92.89 159.6 15.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.303 -0.873 . . . . 0.61 109.261 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -139.11 -171.81 3.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.094 -1.004 . . . . 0.58 109.756 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 10.8 p -153.14 158.74 42.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.23 -0.919 . . . . 0.42 109.511 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -147.75 132.52 17.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.36 109.387 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.1 tt0 -85.94 133.41 33.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 1.37 109.423 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.6 mt -123.95 117.72 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 0.47 109.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.472 HH11 ' CG ' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.82 133.52 43.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.1 109.551 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.419 ' N ' ' NE ' ' A' ' 333' ' ' ARG . . . 101.7 129.92 6.85 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.763 -1.335 . . . . 0.42 109.763 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.3 OUTLIER -77.27 -51.23 11.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 2.68 109.232 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.62 -45.83 88.35 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.414 -0.804 . . . . 2.22 109.278 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.987 ' NH1' HD13 ' C' ' 348' ' ' LEU . 9.8 tpp180 -62.28 -40.94 97.91 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.363 -0.836 . . . . 2.77 108.909 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 332' ' ' ILE . 73.3 t80 -55.68 -47.37 76.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.364 -0.835 . . . . 0.43 109.5 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.51 -40.5 59.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 1.66 109.824 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.03 -44.95 95.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.333 -0.854 . . . . 0.44 110.264 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.491 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.33 -54.58 41.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.114 -0.991 . . . . 0.29 109.485 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.09 -37.49 34.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.335 -0.853 . . . . 2.44 109.597 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -45.27 95.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.22 -0.925 . . . . 1.74 109.827 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' B' ' 344' ' ' LEU . 63.3 mt -61.78 -43.64 98.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.218 -0.926 . . . . 0.3 109.616 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.454 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.7 t-20 -58.16 -46.2 86.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 1.22 109.804 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.95 -37.51 87.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.389 -0.819 . . . . 1.72 109.967 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.81 -51.73 68.09 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.208 -0.933 . . . . 0.27 109.988 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.929 HD13 ' NH1' ' C' ' 337' ' ' ARG . 69.5 mt -61.27 -42.75 99.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.314 -0.866 . . . . 0.29 109.937 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.15 -37.55 80.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.28 -0.888 . . . . 1.91 109.636 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.75 -41.62 95.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.41 109.354 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -45.97 91.16 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.769 0.795 . . . . 1.56 109.145 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.23 -31.06 61.19 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.706 -0.621 . . . . 1.43 109.594 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.21 85.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.855 . . . . 0.66 109.378 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.484 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.0 mt-30 -81.69 -2.88 52.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.311 -0.868 . . . . 1.18 109.42 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -63.97 0.99 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.146 -0.971 . . . . 1.23 109.597 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.87 69.78 3.25 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.525 -1.43 . . . . 1.54 109.525 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 357' ' ' LYS . 4.7 tttt -87.3 5.35 38.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.262 -1.14 . . . . 4.18 109.682 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 1.8 tt0 -50.59 145.99 10.17 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.237 -0.914 . . . . 5.71 109.54 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.459 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 2.0 Cg_endo -63.13 155.48 60.98 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.111 1.874 . . . . 5.61 110.193 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 7.24 109.495 179.806 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.306 0.574 . . . . 7.34 109.526 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 57.98 25.25 12.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.229 -0.92 . . . . 7.17 109.53 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.31 90.45 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 6.44 109.506 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.51 -3.59 10.42 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.093 1.862 . . . . 4.54 110.535 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -85.74 61.38 6.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.012 -1.055 . . . . 4.32 109.41 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -78.69 178.78 7.59 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.429 -0.794 . . . . 2.47 109.723 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' D' ' 333' ' ' ARG . . . -67.71 168.92 38.89 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.605 -1.398 . . . . 0.95 109.605 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.88 134.96 57.37 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.278 -1.13 . . . . 1.61 109.715 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.61 15.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.57 109.2 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -139.02 -171.75 3.17 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.53 109.765 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 10.6 p -153.18 158.72 42.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.38 109.447 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -147.79 132.43 17.83 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.273 -0.892 . . . . 0.36 109.474 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.1 tt0 -85.86 133.41 33.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.902 . . . . 1.36 109.504 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.664 HD12 ' CD1' ' B' ' 338' ' ' PHE . 35.7 mt -123.96 117.77 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.155 -0.966 . . . . 0.49 109.532 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.484 ' CZ ' ' HA3' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -73.87 133.56 43.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 2.1 109.449 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.42 ' N ' ' NE ' ' B' ' 333' ' ' ARG . . . 101.64 129.86 6.83 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.519 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.3 OUTLIER -77.21 -51.14 11.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -1.15 . . . . 2.72 109.304 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.8 -45.73 89.2 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.4 -0.812 . . . . 2.21 109.239 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.903 ' NH1' HD13 ' D' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.84 97.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.359 -0.838 . . . . 2.79 108.979 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.664 ' CD1' HD12 ' B' ' 332' ' ' ILE . 73.8 t80 -55.56 -47.57 76.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.43 -0.794 . . . . 0.45 109.503 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.4 -40.6 59.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.443 -0.786 . . . . 1.68 109.815 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.97 -45.03 95.44 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.297 -0.877 . . . . 0.43 110.174 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.484 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.9 m-85 -61.36 -54.39 44.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.996 . . . . 0.28 109.528 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.15 -37.43 34.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.372 -0.83 . . . . 2.52 109.633 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -45.28 95.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 1.75 109.745 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.572 HD22 HD22 ' A' ' 344' ' ' LEU . 63.5 mt -61.77 -43.61 98.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.31 109.614 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.8 t-20 -58.31 -46.16 86.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.326 -0.859 . . . . 1.21 109.776 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.47 87.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.331 -0.855 . . . . 1.69 110.022 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.93 -51.59 68.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.906 . . . . 0.27 110.002 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.967 HD13 ' NH1' ' D' ' 337' ' ' ARG . 69.6 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.262 -0.899 . . . . 0.3 109.858 -179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.43 79.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.895 . . . . 1.93 109.813 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.66 -41.87 95.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.4 109.263 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 350' ' ' LEU . 0.3 OUTLIER -61.98 -46.23 90.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 1.59 109.086 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.12 -30.83 60.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.666 -0.646 . . . . 1.43 109.723 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.28 85.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.32 -0.863 . . . . 0.65 109.362 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -81.58 -2.96 51.96 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 1.19 109.489 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.5 -64.12 0.96 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 1.22 109.551 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.71 69.67 3.26 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.602 -1.399 . . . . 1.53 109.602 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' B' ' 357' ' ' LYS . 4.6 tttt -87.3 5.4 38.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.294 -1.121 . . . . 4.21 109.685 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 1.8 tt0 -50.68 145.95 10.47 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.216 -0.927 . . . . 5.68 109.486 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.459 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 2.0 Cg_endo -63.06 155.49 60.65 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.121 1.881 . . . . 5.57 110.276 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 CA-C-O 117.996 -1.446 . . . . 7.2 109.607 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.52 -0.548 . . . . 8.96 109.52 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 28.0 mttt 57.92 25.3 11.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.279 -0.888 . . . . 8.15 109.514 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.31 90.47 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.161 -0.962 . . . . 7.15 109.447 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -67.39 -3.8 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.173 1.916 . . . . 4.35 110.529 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.8 mt -85.67 61.31 6.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.17 -0.956 . . . . 4.63 109.403 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -78.48 178.95 7.35 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.474 -0.766 . . . . 2.85 109.785 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 333' ' ' ARG . . . -67.96 169.01 39.64 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.549 -1.42 . . . . 1.12 109.549 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.92 135.01 57.44 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.33 -1.1 . . . . 2.11 109.752 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 8.3 m-85 -93.02 159.67 15.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.197 -0.94 . . . . 0.64 109.143 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.1 m-85 -139.11 -171.76 3.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 0.49 109.781 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 10.9 p -153.09 158.75 42.37 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.202 -0.936 . . . . 0.47 109.557 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -147.82 132.45 17.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.321 -0.862 . . . . 0.42 109.442 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.1 tt0 -85.8 133.36 33.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.867 . . . . 1.81 109.495 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.663 HD12 ' CD1' ' C' ' 338' ' ' PHE . 36.0 mt -123.92 117.89 52.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.231 -0.918 . . . . 0.42 109.511 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.533 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -73.95 133.56 43.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 2.35 109.505 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.423 ' N ' ' NE ' ' C' ' 333' ' ' ARG . . . 101.66 129.86 6.83 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.911 -1.275 . . . . 0.41 109.911 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.3 OUTLIER -77.2 -51.2 11.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.319 -1.107 . . . . 2.59 109.276 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.7 -45.72 88.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 2.54 109.318 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.929 ' NH1' HD13 ' A' ' 348' ' ' LEU . 9.8 tpp180 -62.36 -40.92 97.99 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.252 -0.905 . . . . 3.39 108.92 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.663 ' CD1' HD12 ' C' ' 332' ' ' ILE . 73.9 t80 -55.56 -47.47 76.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.487 -0.758 . . . . 0.47 109.534 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.37 -40.66 59.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.365 -0.835 . . . . 1.66 109.877 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -61.95 -45.09 95.21 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.261 -0.899 . . . . 0.61 110.195 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.2 m-85 -61.18 -54.58 42.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.152 -0.967 . . . . 0.33 109.536 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.41 34.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.322 -0.861 . . . . 3.28 109.597 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -45.32 95.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 1.78 109.841 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' D' ' 344' ' ' LEU . 63.4 mt -61.81 -43.54 98.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.235 -0.915 . . . . 0.38 109.607 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.434 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.7 t-20 -58.28 -46.23 86.43 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 1.2 109.736 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.89 -37.45 86.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.322 -0.861 . . . . 2.12 109.937 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.92 -51.62 68.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.26 110.007 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.987 HD13 ' NH1' ' A' ' 337' ' ' ARG . 69.9 mt -61.3 -42.87 99.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.262 -0.899 . . . . 0.4 109.826 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.03 -37.47 79.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.348 -0.845 . . . . 2.09 109.765 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -64.72 -41.76 95.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.348 -0.845 . . . . 0.75 109.253 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.2 OUTLIER -62.0 -46.13 90.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.423 -0.798 . . . . 2.19 109.171 179.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.21 -30.83 60.75 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.69 -0.631 . . . . 1.34 109.657 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.37 85.41 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.243 -0.91 . . . . 0.72 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -81.59 -2.92 51.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.293 -0.879 . . . . 1.8 109.505 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -64.18 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.39 109.572 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.6 69.63 3.26 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.652 -1.379 . . . . 1.66 109.652 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' C' ' 357' ' ' LYS . 4.6 tttt -87.38 5.54 38.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -1.114 . . . . 4.45 109.643 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.467 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 1.8 tt0 -50.64 146.08 10.16 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.179 -0.951 . . . . 6.19 109.471 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.467 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 2.0 Cg_endo -63.21 155.47 61.33 Favored 'Trans proline' 0 C--N 1.312 -1.365 0 C-N-CA 122.08 1.853 . . . . 5.58 110.26 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 118.031 -1.427 . . . . 6.9 109.549 179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.321 0.581 . . . . 7.36 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 57.78 25.39 11.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.205 -0.934 . . . . 7.15 109.458 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 57.37 90.33 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.3 -0.875 . . . . 6.5 109.481 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.45 -3.49 10.19 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.123 1.882 . . . . 4.5 110.549 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -85.86 61.4 6.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.032 -1.042 . . . . 4.32 109.414 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -78.64 178.86 7.5 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.485 -0.76 . . . . 2.46 109.597 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' B' ' 333' ' ' ARG . . . -67.9 169.01 39.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.569 -1.412 . . . . 0.97 109.569 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.87 134.96 57.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -1.178 . . . . 1.67 109.643 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.2 m-85 -93.02 159.63 15.22 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.376 -0.828 . . . . 0.61 109.181 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.9 m-85 -139.12 -171.73 3.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.56 109.703 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.0 p -153.16 158.6 42.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.43 109.569 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -147.68 132.54 18.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.302 -0.874 . . . . 0.35 109.41 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -85.9 133.43 33.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 1.37 109.539 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' D' ' 338' ' ' PHE . 35.7 mt -124.0 117.71 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.923 . . . . 0.48 109.486 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.484 ' NH1' ' CG ' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.79 133.53 43.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.08 109.457 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.427 ' N ' ' NE ' ' D' ' 333' ' ' ARG . . . 101.58 129.91 6.85 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.889 -1.285 . . . . 0.4 109.889 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.3 OUTLIER -77.24 -51.27 11.22 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -1.118 . . . . 2.64 109.321 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.71 -45.73 88.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.378 -0.826 . . . . 2.22 109.25 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.967 ' NH1' HD13 ' B' ' 348' ' ' LEU . 9.8 tpp180 -62.34 -40.92 97.94 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.264 -0.898 . . . . 2.74 108.936 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' D' ' 332' ' ' ILE . 73.6 t80 -55.61 -47.42 76.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.509 -0.745 . . . . 0.43 109.554 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.45 -40.52 59.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.333 -0.855 . . . . 1.69 109.862 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -61.97 -45.1 95.14 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.189 -0.944 . . . . 0.43 110.2 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.3 m-85 -61.21 -54.58 42.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.118 -0.988 . . . . 0.27 109.468 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -50.17 -37.31 34.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.304 -0.872 . . . . 2.45 109.682 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -45.25 95.4 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.923 . . . . 1.75 109.796 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.553 HD22 HD22 ' C' ' 344' ' ' LEU . 63.6 mt -61.74 -43.74 98.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.966 . . . . 0.31 109.552 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.481 ' HB2' HD21 ' B' ' 330' ' ' LEU . 55.9 t-20 -58.27 -46.16 86.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.324 -0.86 . . . . 1.22 109.789 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.94 -37.48 87.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.215 -0.928 . . . . 1.73 109.95 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.783 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.78 -51.63 68.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.28 110.056 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.903 HD13 ' NH1' ' B' ' 337' ' ' ARG . 69.2 mt -61.32 -42.83 99.33 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 0.31 109.877 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.15 -37.38 79.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 1.91 109.732 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.86 -41.7 95.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.285 -0.884 . . . . 0.43 109.337 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -46.05 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.284 -0.885 . . . . 1.57 109.144 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.2 -30.91 60.91 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.789 -0.57 . . . . 1.44 109.605 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.13 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.383 -0.823 . . . . 0.64 109.312 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.403 ' NE2' HD11 ' C' ' 350' ' ' LEU . 8.9 mt-30 -81.65 -2.97 52.23 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 1.21 109.441 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.56 -64.04 0.97 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.177 -0.952 . . . . 1.22 109.631 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.76 69.77 3.24 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.584 -1.406 . . . . 1.5 109.584 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -87.46 5.54 38.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.148 -1.207 . . . . 4.18 109.657 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.466 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 1.8 tt0 -50.75 145.95 10.64 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.203 -0.935 . . . . 5.67 109.521 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.466 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 2.0 Cg_endo -63.1 155.55 60.4 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.168 1.912 . . . . 5.65 110.142 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.905 -1.497 . . . . 7.27 109.577 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.39 -0.596 . . . . 7.33 109.39 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.78 -148.16 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.372 -0.83 . . . . 7.21 109.377 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.88 81.23 0.21 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.122 -0.986 . . . . 6.47 109.664 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -69.3 0.97 4.54 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.316 2.01 . . . . 4.53 110.74 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.22 49.01 1.57 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.035 -1.041 . . . . 4.35 109.855 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.27 -171.85 2.22 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.308 -0.87 . . . . 2.48 109.332 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 154.13 53.09 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.548 -1.421 . . . . 0.98 109.548 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.42 130.06 44.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -1.105 . . . . 1.7 109.279 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -93.21 158.2 15.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.61 109.651 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.1 m-85 -137.4 -166.86 2.01 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.254 -0.904 . . . . 0.58 109.324 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.6 p -151.96 159.26 43.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 0.42 109.418 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.0 tp -146.94 130.34 16.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.872 . . . . 0.36 109.321 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 36.4 tt0 -85.16 131.16 34.48 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 1.37 109.471 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.483 HD12 ' HD1' ' A' ' 338' ' ' PHE . 29.3 mt -123.8 120.53 60.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.296 -0.877 . . . . 0.47 109.675 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 21.1 ttt180 -73.83 147.65 43.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.327 -0.858 . . . . 2.1 109.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.482 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 134.99 4.81 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.807 -1.317 . . . . 0.42 109.807 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -80.38 -49.78 11.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -1.169 . . . . 2.68 109.49 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -58.03 -47.72 82.24 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.294 -0.879 . . . . 2.22 109.18 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -38.97 83.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.405 -0.809 . . . . 2.77 109.253 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.483 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.6 t80 -54.98 -56.39 20.22 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.415 -0.803 . . . . 0.43 109.542 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.85 -34.73 29.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 1.66 109.68 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.42 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 9.3 ttp -63.57 -50.51 69.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.312 -0.867 . . . . 0.44 110.047 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.474 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.2 m-85 -60.51 -55.2 36.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.16 -0.963 . . . . 0.29 109.185 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.71 -33.61 23.57 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.378 -0.826 . . . . 2.44 109.394 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 340' ' ' MET . 30.2 tt0 -62.34 -46.71 87.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.226 -0.921 . . . . 1.74 109.576 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' B' ' 344' ' ' LEU . 41.7 mt -61.75 -43.26 99.2 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.362 -0.836 . . . . 0.3 109.443 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -58.14 -48.23 80.9 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.22 109.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.75 -35.67 80.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.296 -0.878 . . . . 1.72 109.955 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.51 -52.65 64.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.27 109.784 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.43 -38.71 88.13 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.301 -0.874 . . . . 0.29 109.558 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.42 -38.56 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.359 -0.838 . . . . 1.91 109.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.716 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.7 tt -64.21 -45.41 88.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.27 -0.894 . . . . 0.41 109.777 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.491 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -61.07 -39.76 91.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.288 -0.882 . . . . 1.56 108.983 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.61 -33.96 66.75 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.511 -0.743 . . . . 1.43 109.648 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.38 87.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.66 109.419 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.463 ' NE2' HD11 ' B' ' 350' ' ' LEU . 21.8 mt-30 -81.03 -0.58 40.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.324 -0.86 . . . . 1.18 109.545 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.81 -84.8 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 1.23 109.735 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 60.07 4.76 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.891 -1.283 . . . . 1.54 109.891 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.79 7.85 28.55 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.112 -1.228 . . . . 4.18 109.673 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.84 108.39 0.94 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.264 -0.898 . . . . 5.71 109.678 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -59.02 168.75 4.17 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.094 1.862 . . . . 5.61 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.479 -1.448 . . . . 7.24 109.479 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.444 -0.576 . . . . 7.34 109.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 60.89 -148.19 0.43 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.256 -0.903 . . . . 7.17 109.35 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.9 81.21 0.21 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.211 -0.931 . . . . 6.44 109.648 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.36 1.09 4.47 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.351 2.034 . . . . 4.54 110.705 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.29 49.0 1.58 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.109 -0.994 . . . . 4.32 109.886 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.24 -172.02 2.28 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.259 -0.901 . . . . 2.47 109.351 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.95 154.11 53.02 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.629 -1.388 . . . . 0.95 109.629 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.45 130.04 44.89 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.251 -1.146 . . . . 1.61 109.269 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 39.8 m-85 -93.3 158.27 15.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.57 109.637 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.2 m-85 -137.41 -167.02 2.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.344 -0.848 . . . . 0.53 109.374 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.482 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -151.88 159.2 43.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.151 -0.968 . . . . 0.38 109.447 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.1 tp -146.9 130.3 16.7 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.414 -0.804 . . . . 0.36 109.254 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -85.11 131.16 34.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.301 -0.874 . . . . 1.36 109.433 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 ' HD1' ' B' ' 338' ' ' PHE . 29.0 mt -123.82 120.44 59.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.24 -0.913 . . . . 0.49 109.66 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 21.1 ttt180 -73.71 147.72 43.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.495 -0.753 . . . . 2.1 109.683 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.486 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.07 135.01 4.8 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.814 -1.314 . . . . 0.44 109.814 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.605 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -80.33 -49.83 10.99 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -1.141 . . . . 2.72 109.498 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.06 -47.69 82.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.288 -0.883 . . . . 2.21 109.169 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -39.02 83.46 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.454 -0.779 . . . . 2.79 109.353 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.479 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.6 t80 -55.07 -56.27 21.74 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.383 -0.823 . . . . 0.45 109.498 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -50.82 -34.81 29.25 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 1.68 109.696 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 9.3 ttp -63.56 -50.44 69.47 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.183 -0.948 . . . . 0.43 110.112 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.0 m-85 -60.64 -55.09 37.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.159 -0.963 . . . . 0.28 109.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.81 -33.52 23.88 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.382 -0.824 . . . . 2.52 109.383 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' B' ' 340' ' ' MET . 30.2 tt0 -62.31 -46.77 87.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.026 -1.046 . . . . 1.75 109.615 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.013 HD22 HD22 ' A' ' 344' ' ' LEU . 42.3 mt -61.64 -43.38 98.96 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.396 -0.815 . . . . 0.31 109.502 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -58.05 -48.22 80.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.294 -0.879 . . . . 1.21 109.979 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.82 -35.46 79.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.322 -0.861 . . . . 1.69 109.918 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.6 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.63 -52.7 64.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.946 . . . . 0.27 109.791 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.35 -38.8 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.3 109.507 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.28 -38.72 84.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.218 -0.926 . . . . 1.93 109.851 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.708 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.7 tt -64.23 -45.41 88.34 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.186 -0.946 . . . . 0.4 109.785 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.97 -39.71 90.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.59 109.015 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.64 -34.08 66.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.614 -0.679 . . . . 1.43 109.642 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.27 87.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.223 -0.923 . . . . 0.65 109.424 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.609 ' NE2' HD11 ' A' ' 350' ' ' LEU . 21.8 mt-30 -81.07 -0.61 40.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.29 -0.881 . . . . 1.19 109.447 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -84.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.162 -0.961 . . . . 1.22 109.784 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 60.02 4.78 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.941 -1.264 . . . . 1.53 109.941 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.86 7.94 28.35 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.239 -1.154 . . . . 4.21 109.656 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.78 108.42 0.95 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.196 -0.94 . . . . 5.68 109.557 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -58.97 168.81 4.04 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.016 1.81 . . . . 5.57 110.418 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.982 -1.455 . . . . 7.2 109.543 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.9 tptt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.394 -0.595 . . . . 8.96 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.72 -148.1 0.44 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.214 -0.929 . . . . 8.15 109.414 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.84 81.32 0.21 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.184 -0.948 . . . . 7.15 109.608 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.3 0.94 4.6 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.398 2.065 . . . . 4.35 110.742 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.2 49.05 1.58 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.145 -0.972 . . . . 4.63 109.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -171.95 2.25 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.265 -0.897 . . . . 2.85 109.299 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.12 154.2 53.07 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.666 -1.374 . . . . 1.12 109.666 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.52 130.03 44.85 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.38 -1.071 . . . . 2.11 109.34 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 39.7 m-85 -93.22 158.28 15.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.202 -0.936 . . . . 0.64 109.593 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.2 m-85 -137.32 -166.9 2.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.413 -0.804 . . . . 0.49 109.395 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.8 p -151.88 159.43 43.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.47 109.485 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.9 tp -147.08 130.28 16.5 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.26 -0.9 . . . . 0.42 109.297 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 36.4 tt0 -85.2 131.14 34.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.305 -0.872 . . . . 1.81 109.407 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.478 HD12 ' HD1' ' C' ' 338' ' ' PHE . 29.0 mt -123.84 120.52 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.351 -0.843 . . . . 0.42 109.66 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 21.2 ttt180 -73.79 147.8 43.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.352 -0.842 . . . . 2.35 109.547 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.1 134.94 4.79 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -80.36 -49.81 10.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.38 -1.071 . . . . 2.59 109.491 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.08 -47.59 82.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.169 -0.957 . . . . 2.54 109.227 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -39.02 83.64 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.36 -0.838 . . . . 3.39 109.312 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.478 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.96 -56.32 20.99 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.421 -0.8 . . . . 0.47 109.538 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -50.86 -34.83 29.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.36 -0.837 . . . . 1.66 109.71 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.422 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 9.3 ttp -63.45 -50.58 69.19 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.284 -0.885 . . . . 0.61 110.066 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.478 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.0 m-85 -60.46 -55.16 36.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.33 109.178 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.83 -33.51 23.97 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.326 -0.859 . . . . 3.28 109.435 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' C' ' 340' ' ' MET . 30.1 tt0 -62.34 -46.73 87.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.16 -0.962 . . . . 1.78 109.53 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' D' ' 344' ' ' LEU . 41.5 mt -61.76 -43.31 99.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.38 109.423 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -58.06 -48.29 80.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.328 -0.857 . . . . 1.2 109.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.71 -35.55 80.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.273 -0.892 . . . . 2.12 109.95 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.55 -52.79 64.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.26 109.727 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.32 -38.77 88.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.326 -0.859 . . . . 0.4 109.561 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.32 -38.65 84.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.277 -0.889 . . . . 2.09 109.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.717 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.7 tt -64.23 -45.4 88.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.221 -0.924 . . . . 0.75 109.763 -179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -60.93 -39.78 90.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 2.19 108.928 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.71 -34.05 67.08 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.501 -0.749 . . . . 1.34 109.587 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -39.36 87.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.917 . . . . 0.72 109.465 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.593 ' NE2' HD11 ' D' ' 350' ' ' LEU . 21.9 mt-30 -81.02 -0.69 40.82 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.292 -0.88 . . . . 1.8 109.529 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.69 -84.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.248 -0.908 . . . . 1.39 109.806 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 60.07 4.77 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.927 -1.269 . . . . 1.66 109.927 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.9 7.85 28.89 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.104 -1.233 . . . . 4.45 109.593 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.86 108.44 0.95 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 6.19 109.633 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -58.93 168.73 4.1 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.05 1.834 . . . . 5.58 110.419 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.947 -1.474 . . . . 6.9 109.508 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.392 -0.596 . . . . 7.36 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.7 tttt 60.86 -148.05 0.43 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -0.921 . . . . 7.15 109.378 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 67.8 81.26 0.21 Allowed Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.16 -0.963 . . . . 6.5 109.662 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -69.35 0.99 4.56 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.412 2.075 . . . . 4.5 110.754 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.21 48.9 1.55 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.106 -0.997 . . . . 4.32 109.857 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.2 -171.96 2.24 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.306 -0.871 . . . . 2.46 109.37 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.1 154.19 53.06 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.721 -1.352 . . . . 0.97 109.721 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.48 130.11 45.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.303 -1.116 . . . . 1.67 109.198 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -93.28 158.28 15.83 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.257 -0.902 . . . . 0.61 109.619 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 92.3 m-85 -137.41 -167.01 2.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.292 -0.88 . . . . 0.56 109.416 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.8 p -151.82 159.33 43.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.117 -0.989 . . . . 0.43 109.432 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.1 tp -147.05 130.3 16.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.382 -0.823 . . . . 0.35 109.221 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.08 131.17 34.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.222 -0.924 . . . . 1.37 109.423 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.47 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -123.94 120.48 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.48 109.593 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 21.3 ttt180 -73.79 147.69 43.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.43 -0.794 . . . . 2.08 109.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.16 135.07 4.87 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.747 -1.341 . . . . 0.4 109.747 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -80.42 -49.81 10.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.272 -1.134 . . . . 2.64 109.476 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.13 -47.63 82.73 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.911 . . . . 2.22 109.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -39.11 83.82 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 2.74 109.243 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.482 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.6 t80 -54.89 -56.37 20.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.464 -0.772 . . . . 0.43 109.559 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -50.84 -34.83 29.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.426 -0.796 . . . . 1.69 109.701 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 9.3 ttp -63.44 -50.63 68.99 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.269 -0.894 . . . . 0.43 110.045 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.47 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -60.47 -55.14 37.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.27 109.221 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.77 -33.57 23.82 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.319 -0.863 . . . . 2.45 109.4 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' D' ' 340' ' ' MET . 30.1 tt0 -62.38 -46.71 87.42 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 1.75 109.593 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.867 HD22 HD22 ' C' ' 344' ' ' LEU . 42.4 mt -61.62 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.294 -0.879 . . . . 0.31 109.521 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -58.09 -48.32 80.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 1.22 109.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.79 -35.47 79.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -0.864 . . . . 1.73 109.912 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.48 -52.81 63.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.957 . . . . 0.28 109.799 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.38 -38.64 87.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.359 -0.838 . . . . 0.31 109.582 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.34 -38.77 84.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.3 -0.875 . . . . 1.91 109.889 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.7 tt -64.16 -45.4 88.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.125 -0.984 . . . . 0.43 109.765 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.557 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -60.9 -39.78 90.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.867 . . . . 1.57 109.037 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.8 -33.87 67.11 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.641 -0.662 . . . . 1.44 109.616 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.35 87.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.206 -0.934 . . . . 0.64 109.356 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.01 -0.62 40.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 1.21 109.495 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.76 -84.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.244 -0.91 . . . . 1.22 109.835 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 60.16 4.76 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.947 -1.261 . . . . 1.5 109.947 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -87.93 7.9 28.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -1.224 . . . . 4.18 109.643 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -48.81 108.46 0.95 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 5.67 109.641 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -59.08 168.93 4.04 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.066 1.844 . . . . 5.65 110.287 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.043 -1.42 . . . . 7.27 109.609 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 11.1 tttt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.485 -0.561 . . . . 7.33 109.485 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 5.2 mttt 59.49 -89.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 7.21 109.469 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 319' ' ' LYS . 21.9 mttt 62.11 85.91 0.16 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 6.47 109.639 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -68.23 -1.95 8.1 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.298 1.998 . . . . 4.53 110.658 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 323' ' ' LEU . 7.8 mt -83.03 11.86 5.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.072 -1.018 . . . . 4.35 109.772 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -78.14 -84.58 0.08 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.325 -0.859 . . . . 2.48 110.109 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 134.99 28.13 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.915 -1.274 . . . . 0.98 109.915 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.85 142.52 58.21 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.643 -0.916 . . . . 1.7 109.588 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 6.1 m-85 -95.77 155.38 16.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.61 109.117 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.1 m-85 -139.38 -169.35 2.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.127 -0.983 . . . . 0.58 109.859 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.9 p -153.18 161.04 42.88 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -0.89 . . . . 0.42 109.3 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.4 tp -149.37 132.29 16.13 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.21 -0.931 . . . . 0.36 109.632 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 27.6 tt0 -85.66 129.05 34.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.338 -0.851 . . . . 1.37 109.244 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 341' ' ' PHE . 48.8 mt -123.88 116.74 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.47 109.787 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 44.1 ttt180 -74.07 152.48 39.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.913 . . . . 2.1 109.422 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.72 137.96 6.78 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.762 -1.335 . . . . 0.42 109.762 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.6 ttt-85 -82.66 -54.25 5.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.276 -1.132 . . . . 2.68 109.463 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.18 -46.37 85.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 2.22 109.391 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -43.47 98.82 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.275 -0.891 . . . . 2.77 109.528 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' C' ' 329' ' ' THR . 29.2 t80 -54.77 -57.33 11.98 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.316 -0.865 . . . . 0.43 109.704 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.56 -34.06 35.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.66 109.735 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 14.8 ttp -62.82 -49.68 73.96 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.215 -0.928 . . . . 0.44 109.896 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 332' ' ' ILE . 28.6 m-85 -60.97 -49.95 75.38 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.281 -0.887 . . . . 0.29 109.152 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -51.59 -40.11 59.19 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.423 -0.798 . . . . 2.44 109.747 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.21 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 1.74 109.975 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.8 -43.47 98.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.172 -0.955 . . . . 0.3 109.469 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.11 -49.36 77.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.316 -0.865 . . . . 1.22 109.688 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -32.22 72.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 1.72 109.833 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.39 -50.76 72.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.27 110.086 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.421 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 38.1 mt -61.28 -44.01 97.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.29 109.74 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.8 -36.63 74.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.91 . . . . 1.91 109.65 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.618 HD21 HE21 ' B' ' 354' ' ' GLN . 18.3 tp -64.65 -42.29 95.53 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.844 . . . . 0.41 109.525 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 14.0 ttmm -62.43 -43.09 99.65 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.333 -0.854 . . . . 1.56 109.272 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -55.99 -36.04 67.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.478 -0.764 . . . . 1.43 109.812 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.49 77.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.259 -0.901 . . . . 0.66 109.838 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.536 HE21 HD21 ' B' ' 350' ' ' LEU . 0.8 OUTLIER -82.21 -5.72 58.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.16 -0.963 . . . . 1.18 109.801 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -9.75 58.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.168 -0.957 . . . . 1.23 109.461 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.68 14.26 52.57 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.665 -1.374 . . . . 1.54 109.665 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 30.2 tttt -86.67 19.31 2.95 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.117 -1.225 . . . . 4.18 109.937 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -47.69 106.3 0.58 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.975 . . . . 5.71 109.426 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.4 Cg_exo -60.77 146.39 97.45 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 122.027 1.818 . . . . 5.61 110.283 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 118.042 -1.421 . . . . 7.24 109.578 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 11.1 tttt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.481 -0.563 . . . . 7.34 109.481 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 5.2 mttt 59.53 -89.5 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.283 -0.885 . . . . 7.17 109.42 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 62.14 85.97 0.16 Allowed Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 6.44 109.6 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.21 -2.02 8.2 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.27 1.98 . . . . 4.54 110.646 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 323' ' ' LEU . 7.8 mt -82.95 11.85 5.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.148 -0.97 . . . . 4.32 109.812 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -78.16 -84.7 0.07 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.261 -0.899 . . . . 2.47 110.018 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.68 134.94 28.3 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.987 -1.245 . . . . 0.95 109.987 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.83 142.53 58.18 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.654 -0.91 . . . . 1.61 109.6 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -95.86 155.26 16.83 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.191 -0.943 . . . . 0.57 109.216 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.613 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 72.6 m-85 -139.29 -169.31 2.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.18 -0.95 . . . . 0.53 109.851 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.8 p -153.28 160.86 42.82 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.89 . . . . 0.38 109.289 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.4 tp -149.17 132.44 16.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.906 . . . . 0.36 109.669 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -85.77 129.01 34.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.3 -0.875 . . . . 1.36 109.279 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.476 HD13 ' HB2' ' B' ' 341' ' ' PHE . 48.8 mt -123.85 116.82 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.163 -0.96 . . . . 0.49 109.788 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -74.07 152.46 39.94 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 2.1 109.407 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.66 137.96 6.75 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.758 -1.337 . . . . 0.44 109.758 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.553 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.5 ttt-85 -82.69 -54.27 5.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.25 -1.147 . . . . 2.72 109.452 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.21 -46.28 86.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.241 -0.912 . . . . 2.21 109.348 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.482 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -61.27 -43.49 98.78 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.331 -0.856 . . . . 2.79 109.576 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' D' ' 329' ' ' THR . 29.2 t80 -54.85 -57.41 11.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.352 -0.843 . . . . 0.45 109.596 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.0 34.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.327 -0.858 . . . . 1.68 109.701 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.87 -49.64 74.06 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' HB2' HD13 ' B' ' 332' ' ' ILE . 28.6 m-85 -60.91 -50.0 75.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.202 -0.936 . . . . 0.28 109.208 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.62 -40.07 59.2 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 2.52 109.681 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -43.47 98.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.25 -0.906 . . . . 1.75 109.923 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 62.9 mt -61.85 -43.38 98.96 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.247 -0.908 . . . . 0.31 109.446 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -58.25 -49.31 77.55 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.381 -0.824 . . . . 1.21 109.645 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -32.2 72.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 1.69 109.823 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.49 -50.64 72.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.143 -0.973 . . . . 0.27 110.089 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.28 -44.05 97.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.3 109.675 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.84 -36.52 74.69 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.311 -0.868 . . . . 1.93 109.53 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.536 HD21 HE21 ' A' ' 354' ' ' GLN . 18.3 tp -64.75 -42.31 95.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.408 -0.807 . . . . 0.4 109.56 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.0 ttmm -62.38 -43.0 99.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.529 -0.732 . . . . 1.59 109.31 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.11 -35.95 67.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.444 -0.785 . . . . 1.43 109.821 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.61 77.33 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.28 -0.888 . . . . 0.65 109.809 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.618 HE21 HD21 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -82.2 -5.71 58.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.936 . . . . 1.19 109.788 -179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.76 -9.86 58.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.068 -1.02 . . . . 1.22 109.467 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 14.23 52.24 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.656 -1.378 . . . . 1.53 109.656 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.454 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 30.4 tttt -86.73 19.32 2.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.202 -1.175 . . . . 4.21 109.875 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -47.62 106.22 0.57 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.224 -0.922 . . . . 5.68 109.511 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.4 Cg_exo -60.71 146.53 97.12 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.965 1.777 . . . . 5.57 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.523 -1.431 . . . . 7.2 109.523 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 11.0 tttt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.512 -0.551 . . . . 8.96 109.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 5.3 mttt 59.57 -89.45 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.284 -0.885 . . . . 8.15 109.463 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' C' ' 319' ' ' LYS . 21.7 mttt 62.01 85.97 0.16 Allowed Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.22 -0.925 . . . . 7.15 109.616 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.18 -1.95 8.06 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.187 1.925 . . . . 4.35 110.699 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.437 ' N ' HD23 ' C' ' 323' ' ' LEU . 7.9 mt -83.03 11.91 5.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.072 -1.017 . . . . 4.63 109.825 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -78.21 -84.59 0.08 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 2.85 110.051 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.65 134.94 28.37 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 110.017 -1.233 . . . . 1.12 110.017 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.81 142.47 58.19 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.584 -0.951 . . . . 2.11 109.614 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 6.0 m-85 -95.78 155.36 16.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.343 -0.848 . . . . 0.64 109.235 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 72.1 m-85 -139.39 -169.28 2.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.094 -1.004 . . . . 0.49 109.879 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.487 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.8 p -153.21 160.98 42.9 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.38 -0.825 . . . . 0.47 109.331 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.4 tp -149.26 132.41 16.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.896 . . . . 0.42 109.593 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 27.5 tt0 -85.8 129.0 34.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.329 -0.857 . . . . 1.81 109.26 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 48.8 mt -123.81 116.72 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.153 -0.967 . . . . 0.42 109.708 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 44.4 ttt180 -74.02 152.52 39.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 2.35 109.449 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.59 138.0 6.72 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.5 ttt-85 -82.73 -54.21 5.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.312 -1.11 . . . . 2.59 109.443 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.29 -46.2 86.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 2.54 109.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.421 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -61.35 -43.53 98.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.334 -0.853 . . . . 3.39 109.489 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' ' O ' ' A' ' 329' ' ' THR . 29.4 t80 -54.67 -57.51 11.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.369 -0.832 . . . . 0.47 109.67 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.45 -34.03 33.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.287 -0.883 . . . . 1.66 109.722 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.96 -49.57 74.23 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.278 -0.889 . . . . 0.61 109.962 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 28.8 m-85 -60.91 -50.02 75.12 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.169 -0.957 . . . . 0.33 109.202 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -51.63 -40.07 59.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.358 -0.839 . . . . 3.28 109.661 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -43.47 98.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.174 -0.954 . . . . 1.78 110.027 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.84 -43.43 98.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.166 -0.959 . . . . 0.38 109.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -58.17 -49.38 77.21 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.319 -0.863 . . . . 1.2 109.615 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -32.13 72.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.329 -0.857 . . . . 2.12 109.86 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -50.6 72.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.274 -0.891 . . . . 0.26 110.107 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.32 -44.04 97.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.4 109.676 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -58.74 -36.75 74.83 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 2.09 109.495 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.428 HD21 HE21 ' D' ' 354' ' ' GLN . 18.4 tp -64.69 -42.31 95.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.75 109.474 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -62.38 -43.05 99.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.483 -0.761 . . . . 2.19 109.234 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -56.01 -36.03 67.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.555 -0.716 . . . . 1.34 109.848 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.72 -34.4 76.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.72 109.904 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.729 HE21 HD21 ' D' ' 350' ' ' LEU . 0.8 OUTLIER -82.2 -5.76 58.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 1.8 109.807 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.76 -9.89 58.97 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 1.39 109.414 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.67 14.28 52.43 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.675 -1.37 . . . . 1.66 109.675 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 30.3 tttt -86.66 19.26 2.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.075 -1.25 . . . . 4.45 109.875 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -47.63 106.33 0.59 Allowed Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.183 -0.948 . . . . 6.19 109.371 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.3 Cg_exo -60.69 146.5 97.14 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.985 1.79 . . . . 5.58 110.302 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 117.979 -1.456 . . . . 6.9 109.589 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 11.0 tttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.45 -0.574 . . . . 7.36 109.45 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 5.2 mttt 59.43 -89.45 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 7.15 109.484 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 62.21 85.82 0.16 Allowed Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.264 -0.897 . . . . 6.5 109.627 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -68.2 -1.9 7.99 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.304 2.003 . . . . 4.5 110.587 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.448 HD23 ' N ' ' D' ' 323' ' ' LEU . 7.9 mt -83.07 11.85 5.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.008 -1.058 . . . . 4.32 109.749 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -78.24 -84.69 0.08 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.201 -0.937 . . . . 2.46 109.959 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 134.9 28.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.932 -1.267 . . . . 0.97 109.932 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.78 142.51 58.16 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.606 -0.937 . . . . 1.67 109.638 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.8 155.28 16.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.271 -0.893 . . . . 0.61 109.24 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.5 m-85 -139.34 -169.39 2.66 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.068 -1.02 . . . . 0.56 109.846 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.9 p -153.1 161.12 42.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.43 109.333 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' B' ' 329' ' ' THR . 15.4 tp -149.33 132.38 16.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.223 -0.923 . . . . 0.35 109.636 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -85.73 129.03 34.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.335 -0.853 . . . . 1.37 109.241 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.0 mt -123.9 116.8 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.169 -0.957 . . . . 0.48 109.68 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -74.03 152.48 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.08 109.506 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.67 138.02 6.78 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.756 -1.338 . . . . 0.4 109.756 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.613 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.5 ttt-85 -82.71 -54.25 5.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -1.123 . . . . 2.64 109.504 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.2 -46.45 85.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.355 -0.841 . . . . 2.22 109.347 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -43.52 98.74 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.291 -0.881 . . . . 2.74 109.482 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' CE1' ' O ' ' B' ' 329' ' ' THR . 29.3 t80 -54.71 -57.44 11.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 0.43 109.618 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.53 -34.08 34.81 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 1.69 109.732 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.7 ttp -62.74 -49.79 73.62 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.349 -0.844 . . . . 0.43 109.927 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' D' ' 332' ' ' ILE . 28.9 m-85 -60.73 -50.06 74.98 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 0.27 109.273 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -51.7 -40.01 59.34 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.375 -0.828 . . . . 2.45 109.707 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -43.46 98.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.243 -0.911 . . . . 1.75 109.944 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.79 -43.5 98.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.31 109.353 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -58.27 -49.28 77.69 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.264 -0.897 . . . . 1.22 109.567 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -32.1 72.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 1.73 109.824 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.42 -50.7 72.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.28 110.083 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.482 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 38.0 mt -61.27 -44.11 97.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.31 109.649 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.83 -36.55 74.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.91 109.601 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.729 HD21 HE21 ' C' ' 354' ' ' GLN . 18.3 tp -64.66 -42.4 95.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 0.43 109.557 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.41 -43.04 99.78 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.283 -0.886 . . . . 1.57 109.231 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -56.04 -36.02 67.54 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.527 -0.733 . . . . 1.44 109.802 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.47 77.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.344 -0.848 . . . . 0.64 109.874 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.428 HE21 HD21 ' C' ' 350' ' ' LEU . 0.8 OUTLIER -82.23 -5.81 58.78 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.234 -0.916 . . . . 1.21 109.837 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.68 -9.76 58.76 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.101 -1.0 . . . . 1.22 109.55 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 14.36 52.37 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.618 -1.393 . . . . 1.5 109.618 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.444 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 30.4 tttt -86.75 19.29 3.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -1.148 . . . . 4.18 109.781 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -47.75 106.33 0.59 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 5.67 109.442 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.4 Cg_exo -60.67 146.49 97.09 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 122.017 1.812 . . . . 5.65 110.247 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.543 -1.423 . . . . 7.27 109.543 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.54 -0.541 . . . . 7.33 109.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.46 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 7.21 109.51 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 23.5 mttt 58.18 64.5 3.71 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.189 -0.944 . . . . 6.47 109.364 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.7 Cg_endo -61.17 136.16 63.01 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.119 1.879 . . . . 4.53 110.313 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.2 mm? -85.36 34.36 0.57 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.291 -0.881 . . . . 4.35 110.014 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.405 ' HB3' ' CD ' ' C' ' 333' ' ' ARG . 72.3 m-20 -75.9 177.42 7.0 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.389 -0.819 . . . . 2.48 109.863 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 170.82 39.11 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.844 -1.303 . . . . 0.98 109.844 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -58.98 150.56 24.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.385 -1.068 . . . . 1.7 109.708 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 19.3 m-85 -94.3 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.354 -0.841 . . . . 0.61 109.205 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.524 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -139.54 -162.74 1.37 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.58 109.496 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 1.2 p -153.93 161.7 41.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.115 -0.991 . . . . 0.42 109.647 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' C' ' 345' ' ' ASN . 19.0 tp -149.3 134.24 18.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.231 -0.918 . . . . 0.36 109.329 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -86.64 134.48 33.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 1.37 109.903 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 341' ' ' PHE . 36.0 mt -123.73 118.97 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.173 -0.954 . . . . 0.47 109.192 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 143.85 45.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.191 -0.943 . . . . 2.1 110.194 -179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.11 142.21 7.98 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.085 -1.206 . . . . 0.42 110.085 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 5.8 ttt180 -82.23 -51.28 8.09 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.411 -1.052 . . . . 2.68 109.322 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.78 -44.65 90.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.323 -0.861 . . . . 2.22 109.501 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.735 HH12 HD22 ' C' ' 348' ' ' LEU . 7.0 tpp180 -62.73 -41.03 98.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.336 -0.853 . . . . 2.77 109.134 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.7 t80 -56.23 -48.68 76.01 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.463 -0.773 . . . . 0.43 109.453 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.17 -37.33 54.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.26 -0.9 . . . . 1.66 109.907 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.18 -49.34 76.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.166 -0.959 . . . . 0.44 110.201 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.647 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.9 m-85 -60.88 -53.52 56.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.188 -0.945 . . . . 0.29 109.36 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -50.14 -37.03 32.47 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.298 -0.876 . . . . 2.44 109.612 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.86 -48.95 79.63 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.17 -0.956 . . . . 1.74 109.506 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 81.6 mt -61.17 -34.59 75.28 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.183 -0.948 . . . . 0.3 108.838 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.7 t-20 -58.94 -55.18 38.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.583 -0.698 . . . . 1.22 109.486 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.37 -28.99 70.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.395 -0.816 . . . . 1.72 109.851 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -62.17 -54.5 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.189 -0.944 . . . . 0.27 109.934 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' C' ' 337' ' ' ARG . 62.8 mt -60.82 -45.0 96.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.29 109.693 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.53 -33.42 71.36 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.21 -0.931 . . . . 1.91 109.397 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.662 HD21 HE21 ' B' ' 354' ' ' GLN . 6.5 tp -65.44 -42.11 92.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.36 -0.837 . . . . 0.41 109.29 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.568 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -63.17 -51.04 67.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.491 -0.755 . . . . 1.56 109.235 179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -32.84 67.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.669 -0.644 . . . . 1.43 109.838 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.61 86.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.231 -0.918 . . . . 0.66 109.938 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.637 HE21 HD21 ' B' ' 350' ' ' LEU . 20.4 mt-30 -81.95 -4.3 56.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 1.18 109.838 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.32 -21.96 61.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.151 -0.968 . . . . 1.23 109.501 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.19 35.24 3.31 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.939 -1.264 . . . . 1.54 109.939 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.64 15.37 6.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.052 -1.263 . . . . 4.18 109.781 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.1 162.72 0.47 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.191 -0.943 . . . . 5.71 109.492 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.04 149.17 90.38 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.243 1.962 . . . . 5.61 110.343 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 CA-C-O 118.002 -1.443 . . . . 7.24 109.561 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.475 -0.565 . . . . 7.34 109.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.54 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.268 -0.895 . . . . 7.17 109.433 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 23.5 mttt 58.08 64.53 3.75 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.304 -0.872 . . . . 6.44 109.358 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.7 Cg_endo -61.18 136.06 62.32 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.21 1.94 . . . . 4.54 110.33 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.645 HD22 ' N ' ' B' ' 323' ' ' LEU . 4.2 mm? -85.21 34.24 0.56 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.407 -0.808 . . . . 4.32 109.958 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.4 ' HB3' ' CD ' ' D' ' 333' ' ' ARG . 72.2 m-20 -76.0 177.15 7.28 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.308 -0.87 . . . . 2.47 109.876 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 170.76 37.48 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.929 -1.269 . . . . 0.95 109.929 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -59.04 150.55 24.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.46 -1.024 . . . . 1.61 109.726 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.436 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 19.1 m-85 -94.25 158.83 15.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.57 109.273 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.5 m-85 -139.58 -162.8 1.38 Allowed 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.219 -0.926 . . . . 0.53 109.562 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.427 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.2 p -153.82 161.87 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.179 -0.951 . . . . 0.38 109.622 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' D' ' 345' ' ' ASN . 19.2 tp -149.47 134.24 17.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.341 -0.849 . . . . 0.36 109.337 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.53 134.59 33.65 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 1.36 109.938 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.0 mt -123.86 118.74 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 0.49 109.226 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.494 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.56 143.85 46.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 2.1 110.285 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.24 142.19 8.06 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.017 -1.233 . . . . 0.44 110.017 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.2 8.16 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.279 -1.13 . . . . 2.72 109.419 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.89 -44.73 91.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.297 -0.877 . . . . 2.21 109.46 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.806 HH12 HD22 ' D' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -41.25 98.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.275 -0.891 . . . . 2.79 109.184 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.551 ' HA ' HG21 ' B' ' 332' ' ' ILE . 43.6 t80 -56.21 -48.69 75.93 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.534 -0.729 . . . . 0.45 109.502 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.03 -37.32 53.05 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 1.68 109.997 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.23 -49.39 75.94 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.253 -0.904 . . . . 0.43 110.158 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.73 -53.5 56.59 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.242 -0.911 . . . . 0.28 109.456 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -50.19 -36.99 32.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 2.52 109.557 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.83 -49.04 79.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.207 -0.933 . . . . 1.75 109.469 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' A' ' 344' ' ' LEU . 81.2 mt -61.27 -34.49 75.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.254 -0.904 . . . . 0.31 108.846 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.8 t-20 -58.95 -55.21 38.12 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.48 -0.762 . . . . 1.21 109.496 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.36 -28.9 70.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 1.69 109.851 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.3 -54.52 39.41 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.27 109.978 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.79 HD22 HH12 ' D' ' 337' ' ' ARG . 62.6 mt -60.81 -44.94 96.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.291 -0.881 . . . . 0.3 109.715 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.64 -33.22 71.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.238 -0.914 . . . . 1.93 109.37 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.637 HD21 HE21 ' A' ' 354' ' ' GLN . 6.5 tp -65.43 -42.29 92.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.293 -0.879 . . . . 0.4 109.242 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.575 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.96 -50.97 68.7 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.682 0.754 . . . . 1.59 109.271 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.41 -32.89 67.31 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.633 -0.667 . . . . 1.43 109.858 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -41.63 86.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.313 -0.867 . . . . 0.65 109.947 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.662 HE21 HD21 ' A' ' 350' ' ' LEU . 20.5 mt-30 -81.94 -4.26 56.2 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 1.19 109.895 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.5 -21.85 61.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.184 -0.947 . . . . 1.22 109.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.07 35.23 3.29 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.907 -1.277 . . . . 1.53 109.907 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.73 15.38 7.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.116 -1.226 . . . . 4.21 109.777 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -50.14 162.83 0.47 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 5.68 109.598 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.2 149.34 89.75 Favored 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.236 1.957 . . . . 5.57 110.234 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.995 -1.447 . . . . 7.2 109.534 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 75.4 mttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.438 -0.578 . . . . 8.96 109.438 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.67 107.45 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.35 -0.844 . . . . 8.15 109.497 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 23.5 mttt 58.16 64.54 3.69 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.287 -0.883 . . . . 7.15 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.7 Cg_endo -61.27 136.12 62.36 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.16 1.907 . . . . 4.35 110.295 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.659 HD22 ' N ' ' C' ' 323' ' ' LEU . 4.2 mm? -85.21 34.18 0.56 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 4.63 109.96 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.92 177.19 7.19 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.264 -0.897 . . . . 2.85 109.891 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.35 170.77 37.86 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.906 -1.278 . . . . 1.12 109.906 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.98 150.57 24.19 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.073 . . . . 2.11 109.746 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 19.9 m-85 -94.31 158.87 15.38 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.214 -0.929 . . . . 0.64 109.157 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.5 m-85 -139.55 -162.85 1.39 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.925 . . . . 0.49 109.538 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 1.2 p -153.84 161.71 41.83 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.213 -0.93 . . . . 0.47 109.67 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 345' ' ' ASN . 18.8 tp -149.23 134.27 18.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.284 -0.885 . . . . 0.42 109.34 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -86.58 134.58 33.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.218 -0.926 . . . . 1.81 109.959 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.4 mt -123.79 119.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.352 -0.843 . . . . 0.42 109.14 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.79 143.87 45.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.905 . . . . 2.35 110.236 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.23 142.17 8.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 110.001 -1.24 . . . . 0.41 110.001 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 5.8 ttt180 -82.25 -51.21 8.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.421 -1.047 . . . . 2.59 109.358 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.86 -44.61 91.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.366 -0.833 . . . . 2.54 109.551 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' A' ' 348' ' ' LEU . 7.0 tpp180 -62.59 -41.23 98.83 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.324 -0.86 . . . . 3.39 109.097 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.7 t80 -56.21 -48.68 75.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.479 -0.763 . . . . 0.47 109.473 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -52.19 -37.2 54.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.397 -0.814 . . . . 1.66 109.935 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.7 ttp -62.23 -49.3 76.28 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.27 -0.894 . . . . 0.61 110.229 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.7 m-85 -60.96 -53.55 55.87 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.256 -0.902 . . . . 0.33 109.346 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.01 -37.11 31.35 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.451 -0.78 . . . . 3.28 109.606 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.81 -48.92 79.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 1.78 109.56 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' D' ' 344' ' ' LEU . 81.1 mt -61.21 -34.62 75.39 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.272 -0.893 . . . . 0.38 108.779 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.667 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.7 t-20 -58.81 -55.27 37.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.4 -0.813 . . . . 1.2 109.615 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.3 -29.01 70.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.333 -0.854 . . . . 2.12 109.847 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.23 -54.38 41.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.26 110.042 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.735 HD22 HH12 ' A' ' 337' ' ' ARG . 62.1 mt -60.84 -44.98 96.25 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -0.911 . . . . 0.4 109.719 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.55 -33.37 71.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 2.09 109.465 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.63 HD11 ' NE2' ' D' ' 354' ' ' GLN . 6.5 tp -65.37 -42.18 93.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.361 -0.837 . . . . 0.75 109.274 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.516 ' HD3' HD22 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -63.19 -50.86 68.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.511 -0.743 . . . . 2.19 109.234 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.54 -32.74 67.38 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.676 -0.64 . . . . 1.34 109.859 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -41.6 85.89 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.297 -0.877 . . . . 0.72 109.892 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.489 HE21 HD21 ' D' ' 350' ' ' LEU . 20.6 mt-30 -81.9 -4.31 56.26 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 1.8 109.921 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.97 61.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.083 -1.01 . . . . 1.39 109.522 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 35.22 3.3 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.916 -1.274 . . . . 1.66 109.916 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.64 15.39 6.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.286 . . . . 4.45 109.749 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.14 162.77 0.47 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.173 -0.954 . . . . 6.19 109.513 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.09 149.18 90.37 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.286 1.991 . . . . 5.58 110.319 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.939 -1.478 . . . . 6.9 109.514 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 75.5 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.464 -0.569 . . . . 7.36 109.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.72 107.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.263 -0.898 . . . . 7.15 109.429 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 23.4 mttt 58.11 64.53 3.73 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.258 -0.901 . . . . 6.5 109.377 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.7 Cg_endo -61.25 136.11 62.38 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.146 1.897 . . . . 4.5 110.397 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.639 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.2 mm? -85.31 34.42 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.311 -0.868 . . . . 4.32 109.975 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' B' ' 333' ' ' ARG . 72.4 m-20 -76.05 177.32 7.18 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.291 -0.88 . . . . 2.46 109.888 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.52 170.8 38.42 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.803 -1.319 . . . . 0.97 109.803 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.98 150.56 24.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -1.075 . . . . 1.67 109.749 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 19.4 m-85 -94.26 159.04 15.31 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 0.61 109.214 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.5 m-85 -139.8 -162.85 1.4 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.201 -0.937 . . . . 0.56 109.449 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 1.2 p -153.85 161.86 41.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.15 -0.969 . . . . 0.43 109.64 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' B' ' 345' ' ' ASN . 19.0 tp -149.38 134.21 17.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.416 -0.803 . . . . 0.35 109.287 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -86.6 134.69 33.61 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.254 -0.904 . . . . 1.37 109.926 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' D' ' 341' ' ' PHE . 36.6 mt -123.93 119.05 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 0.48 109.068 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.436 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -73.89 143.81 45.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 2.08 110.161 -179.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.22 142.21 8.06 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.976 -1.25 . . . . 0.4 109.976 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 5.8 ttt180 -82.24 -51.15 8.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.357 -1.084 . . . . 2.64 109.408 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.88 -44.62 91.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.83 . . . . 2.22 109.435 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.79 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.61 -41.2 98.85 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.3 -0.875 . . . . 2.74 109.186 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -56.23 -48.71 75.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.351 -0.843 . . . . 0.43 109.452 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -52.06 -37.33 53.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.394 -0.816 . . . . 1.69 109.948 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.8 ttp -62.27 -49.45 75.62 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.935 . . . . 0.43 110.105 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.0 m-85 -60.75 -53.56 55.96 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.27 109.443 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -50.05 -37.1 31.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.358 -0.839 . . . . 2.45 109.608 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.77 -49.0 79.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.131 -0.981 . . . . 1.75 109.602 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.834 HD22 HD22 ' C' ' 344' ' ' LEU . 80.8 mt -61.26 -34.45 75.19 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.31 108.779 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.67 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.8 t-20 -58.81 -55.34 36.4 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.352 -0.843 . . . . 1.22 109.574 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.23 -29.05 70.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 1.73 109.834 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -62.4 -54.38 41.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.28 109.948 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.806 HD22 HH12 ' B' ' 337' ' ' ARG . 62.1 mt -60.8 -44.86 96.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 0.31 109.83 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.57 -33.45 71.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.108 -0.995 . . . . 1.91 109.359 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.516 HD22 ' HD3' ' C' ' 351' ' ' LYS . 6.5 tp -65.39 -42.19 92.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.43 109.228 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -51.04 68.24 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.546 -0.721 . . . . 1.57 109.263 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -32.86 67.26 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.688 -0.632 . . . . 1.44 109.874 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.67 86.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 0.64 109.898 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.63 ' NE2' HD11 ' C' ' 350' ' ' LEU . 20.5 mt-30 -81.94 -4.33 56.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.21 109.865 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.44 -21.84 61.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.082 -1.011 . . . . 1.22 109.536 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.23 35.28 3.31 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.935 -1.266 . . . . 1.5 109.935 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.73 15.47 6.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.025 -1.28 . . . . 4.18 109.725 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -50.16 162.79 0.47 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.127 -0.983 . . . . 5.67 109.435 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.22 149.2 90.44 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.23 1.953 . . . . 5.65 110.273 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 117.935 -1.48 . . . . 7.27 109.592 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 320' ' ' LYS . 31.0 mttt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.293 0.568 . . . . 7.33 109.533 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 319' ' ' LYS . 4.2 pttt 41.85 38.49 1.01 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.428 -0.795 . . . . 7.21 109.832 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.3 OUTLIER 63.94 132.47 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.295 -0.878 . . . . 6.47 109.308 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.32 -82.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.927 1.751 . . . . 4.53 110.325 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 30.5 mt -83.05 110.45 18.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.215 -0.928 . . . . 4.35 109.782 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.39 -93.46 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 2.48 109.118 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.529 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.56 168.6 45.84 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.386 -1.486 . . . . 0.98 109.386 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.19 128.7 38.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.127 -1.219 . . . . 1.7 109.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 13.5 m-85 -94.76 157.95 15.72 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.61 109.477 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 65.3 m-85 -139.84 -169.18 2.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.241 -0.912 . . . . 0.58 109.43 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.488 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.5 p -153.44 159.78 42.43 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.178 -0.951 . . . . 0.42 109.658 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 14.9 tp -148.44 132.12 16.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 0.36 109.347 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.26 128.25 34.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.288 -0.883 . . . . 1.37 109.469 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.1 mt -123.91 115.42 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.47 109.203 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.8 OUTLIER -73.0 153.18 41.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 2.1 109.665 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 87.28 128.47 2.62 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.698 -1.361 . . . . 0.42 109.698 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.84 14.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.348 -1.089 . . . . 2.68 109.549 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.44 -48.32 81.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.281 -0.887 . . . . 2.22 109.368 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.27 96.34 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.356 -0.84 . . . . 2.77 109.624 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.3 t80 -54.46 -56.33 19.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 0.43 109.506 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -51.33 -34.57 34.22 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.253 -0.904 . . . . 1.66 109.79 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.2 -50.47 70.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.308 -0.87 . . . . 0.44 109.99 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' A' ' 332' ' ' ILE . 9.3 m-85 -60.63 -49.43 77.56 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.319 -0.863 . . . . 0.29 109.221 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -50.94 -39.66 55.39 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.423 -0.798 . . . . 2.44 109.462 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.57 -42.1 98.36 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.353 -0.842 . . . . 1.74 109.753 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 344' ' ' LEU . 48.6 mt -62.11 -46.23 89.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 0.3 109.593 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 48.3 t30 -57.58 -46.12 84.39 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.22 109.486 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.39 -33.03 73.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 1.72 109.517 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.45 -52.92 63.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.27 109.624 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.474 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 20.3 mt -61.42 -40.94 96.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.206 -0.934 . . . . 0.29 109.358 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 19.5 mt-10 -59.12 -35.26 73.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.229 -0.919 . . . . 1.91 109.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.433 HD22 ' HD3' ' B' ' 351' ' ' LYS . 13.2 tp -64.24 -41.06 97.16 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.483 -0.76 . . . . 0.41 109.112 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.453 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -62.0 -52.11 65.3 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.48 -0.763 . . . . 1.56 109.004 179.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.23 -29.4 60.95 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.584 -0.697 . . . . 1.43 109.631 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.5 95.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.284 -0.885 . . . . 0.66 109.476 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.446 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -83.34 -14.02 53.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.28 -0.888 . . . . 1.18 109.326 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.34 -8.92 57.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.183 -0.948 . . . . 1.23 109.606 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 -10.99 76.12 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.744 -1.343 . . . . 1.54 109.744 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.8 103.81 15.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.193 -1.181 . . . . 4.18 109.448 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.15 147.73 6.88 Favored Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 5.71 109.378 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.63 127.61 23.21 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.151 1.901 . . . . 5.61 110.271 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 117.985 -1.453 . . . . 7.24 109.496 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 320' ' ' LYS . 31.1 mttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.426 -0.583 . . . . 7.34 109.426 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 4.2 pttt 41.86 38.55 1.03 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.461 -0.774 . . . . 7.17 109.79 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.3 OUTLIER 63.81 132.51 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 121.318 -0.864 . . . . 6.44 109.274 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.31 -82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.918 1.746 . . . . 4.54 110.279 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -83.05 110.44 17.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.19 -0.944 . . . . 4.32 109.803 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.45 -93.19 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.339 -0.85 . . . . 2.47 109.223 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.82 168.61 46.61 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.303 -1.519 . . . . 0.95 109.303 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.27 128.85 39.2 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.046 -1.267 . . . . 1.61 109.384 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 13.7 m-85 -94.9 157.83 15.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.188 -0.945 . . . . 0.57 109.56 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 65.3 m-85 -139.67 -169.11 2.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.313 -0.867 . . . . 0.53 109.42 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 64.9 p -153.49 159.97 42.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.25 -0.906 . . . . 0.38 109.588 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' D' ' 329' ' ' THR . 14.9 tp -148.7 131.89 16.42 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.298 -0.876 . . . . 0.36 109.359 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 12.0 tt0 -86.02 128.19 34.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.838 . . . . 1.36 109.48 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' B' ' 341' ' ' PHE . 51.8 mt -123.84 115.49 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.932 . . . . 0.49 109.211 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.473 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.8 OUTLIER -73.02 153.15 41.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.218 -0.926 . . . . 2.1 109.646 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 87.19 128.2 2.53 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.712 -1.355 . . . . 0.44 109.712 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 20.6 ttt180 -75.01 -50.99 14.72 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.164 -1.198 . . . . 2.72 109.486 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.41 -48.33 81.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.145 -0.972 . . . . 2.21 109.354 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.09 -41.29 96.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.257 -0.902 . . . . 2.79 109.568 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.457 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.2 t80 -54.55 -56.26 20.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.38 -0.825 . . . . 0.45 109.554 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -51.27 -34.57 33.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.262 -0.899 . . . . 1.68 109.927 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.08 -50.6 69.91 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.222 -0.924 . . . . 0.43 110.023 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.499 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 9.3 m-85 -60.68 -49.35 77.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.28 109.21 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.02 -39.63 56.3 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.422 -0.799 . . . . 2.52 109.402 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.51 -42.08 98.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.224 -0.922 . . . . 1.75 109.79 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' B' ' 344' ' ' LEU . 48.1 mt -62.26 -46.18 89.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.31 109.498 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' B' ' 349' ' ' GLU . 48.2 t30 -57.55 -46.14 84.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 1.21 109.454 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.271 -0.893 . . . . 1.69 109.507 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.37 -52.94 63.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.27 109.727 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.511 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 20.3 mt -61.35 -41.01 96.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 0.3 109.383 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 19.5 mt-10 -59.11 -35.18 72.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.141 -0.975 . . . . 1.93 109.265 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.453 HD22 ' HD3' ' A' ' 351' ' ' LYS . 13.2 tp -64.35 -40.99 96.97 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.366 -0.834 . . . . 0.4 109.095 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HD3' HD22 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -62.04 -51.84 66.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.751 0.786 . . . . 1.59 108.976 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -29.48 61.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.575 -0.703 . . . . 1.43 109.547 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.64 95.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.65 109.556 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -14.03 54.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.914 . . . . 1.19 109.353 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.34 -8.96 58.07 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.3 -0.875 . . . . 1.22 109.555 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 -10.87 76.47 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 103.82 16.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -1.164 . . . . 4.21 109.309 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -50.14 147.63 6.97 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 5.68 109.419 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.58 127.7 23.55 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.112 1.875 . . . . 5.57 110.232 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 CA-C-O 118.01 -1.439 . . . . 7.2 109.58 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' C' ' 320' ' ' LYS . 30.9 mttt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.218 0.532 . . . . 8.96 109.571 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' C' ' 319' ' ' LYS . 4.2 pttt 41.93 38.43 1.03 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.544 -0.722 . . . . 8.15 109.852 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.3 OUTLIER 63.93 132.44 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.289 -0.882 . . . . 7.15 109.295 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.31 -82.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.843 1.696 . . . . 4.35 110.322 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.7 mt -83.07 110.33 17.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.13 -0.981 . . . . 4.63 109.698 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.35 -93.29 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.897 . . . . 2.85 109.232 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.523 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.78 168.56 46.56 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.328 -1.509 . . . . 1.12 109.328 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.06 128.78 38.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.165 -1.197 . . . . 2.11 109.52 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 13.5 m-85 -94.79 157.8 15.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.223 -0.923 . . . . 0.64 109.546 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.8 m-85 -139.77 -169.1 2.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.334 -0.854 . . . . 0.49 109.391 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.427 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.1 p -153.47 160.1 42.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.47 109.563 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.8 tp -148.79 132.08 16.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.841 . . . . 0.42 109.256 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -86.2 128.21 34.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 1.81 109.44 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' C' ' 341' ' ' PHE . 51.6 mt -123.83 115.44 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.321 -0.862 . . . . 0.42 109.339 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.478 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.8 OUTLIER -72.96 153.31 41.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 2.35 109.594 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.452 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 87.08 128.48 2.55 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.624 -1.391 . . . . 0.41 109.624 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 20.7 ttt180 -75.33 -50.91 14.51 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.166 -1.196 . . . . 2.59 109.478 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.28 -48.58 80.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.937 . . . . 2.54 109.382 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.93 -41.33 95.99 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.309 -0.869 . . . . 3.39 109.597 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.488 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.3 t80 -54.4 -56.29 20.17 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.365 -0.834 . . . . 0.47 109.58 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.43 -34.5 35.28 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.294 -0.879 . . . . 1.66 109.892 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.06 -50.56 70.14 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.104 -0.997 . . . . 0.61 110.039 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.485 ' HB2' HD13 ' C' ' 332' ' ' ILE . 9.3 m-85 -60.72 -49.34 77.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.219 -0.925 . . . . 0.33 109.212 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.406 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 12.5 ttm180 -51.09 -39.59 56.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.392 -0.817 . . . . 3.28 109.401 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.47 -42.24 98.47 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.211 -0.93 . . . . 1.78 109.667 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' C' ' 344' ' ' LEU . 49.0 mt -62.17 -46.21 89.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.268 -0.895 . . . . 0.38 109.535 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.63 -46.12 84.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.434 -0.791 . . . . 1.2 109.418 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.33 -33.03 73.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.306 -0.871 . . . . 2.12 109.613 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.51 -52.84 63.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.367 -0.833 . . . . 0.26 109.694 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.491 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 20.2 mt -61.3 -41.09 96.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.196 -0.94 . . . . 0.4 109.371 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.07 -35.26 73.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 2.09 109.141 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' C' ' 350' ' ' LEU . 13.2 tp -64.25 -41.06 97.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.289 -0.882 . . . . 0.75 109.032 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.06 -52.01 65.66 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.92 -0.771 . . . . 2.19 108.92 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -29.49 61.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.674 -0.641 . . . . 1.34 109.628 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.36 94.97 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.31 -0.869 . . . . 0.72 109.555 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.568 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -83.41 -14.0 53.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 1.8 109.286 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.32 -8.89 57.75 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.184 -0.948 . . . . 1.39 109.66 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -10.91 76.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.729 -1.349 . . . . 1.66 109.729 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.89 103.95 16.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.281 -1.129 . . . . 4.45 109.304 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -50.28 147.7 7.18 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.286 -0.884 . . . . 6.19 109.327 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.69 127.74 23.54 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.053 1.835 . . . . 5.58 110.206 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 CA-C-O 117.982 -1.454 . . . . 6.9 109.525 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' D' ' 320' ' ' LYS . 31.0 mttt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.255 0.55 . . . . 7.36 109.518 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' D' ' 319' ' ' LYS . 4.2 pttt 41.78 38.52 0.99 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.447 -0.783 . . . . 7.15 109.83 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.3 OUTLIER 63.83 132.48 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.333 -0.854 . . . . 6.5 109.279 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -63.3 -82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 121.874 1.716 . . . . 4.5 110.285 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.2 mt -83.0 110.5 18.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.137 -0.977 . . . . 4.32 109.743 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.5 -93.39 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 2.46 109.115 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.525 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.55 168.76 45.6 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.302 -1.519 . . . . 0.97 109.302 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.37 128.86 39.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.139 -1.212 . . . . 1.67 109.533 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 13.7 m-85 -94.9 157.75 15.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.226 -0.921 . . . . 0.61 109.566 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.8 m-85 -139.61 -169.09 2.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.362 -0.836 . . . . 0.56 109.408 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 63.8 p -153.49 159.86 42.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.213 -0.93 . . . . 0.43 109.61 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' B' ' 329' ' ' THR . 14.9 tp -148.56 132.11 16.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.269 -0.894 . . . . 0.35 109.342 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -86.28 128.11 34.87 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.26 -0.9 . . . . 1.37 109.523 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' D' ' 341' ' ' PHE . 51.0 mt -123.69 115.41 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.276 -0.89 . . . . 0.48 109.336 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.8 OUTLIER -73.13 153.24 40.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.874 . . . . 2.08 109.55 -179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.462 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 87.31 128.45 2.63 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.666 -1.374 . . . . 0.4 109.666 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 20.8 ttt180 -75.39 -50.85 14.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -1.118 . . . . 2.64 109.533 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.42 -48.19 81.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 2.22 109.4 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.365 -0.834 . . . . 2.74 109.513 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -54.45 -56.26 20.57 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.43 109.522 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -51.48 -34.52 36.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.315 -0.866 . . . . 1.69 109.799 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.02 -50.52 70.38 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -0.988 . . . . 0.43 110.068 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.511 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 9.3 m-85 -60.75 -49.26 78.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.957 . . . . 0.27 109.187 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -51.13 -39.67 56.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.402 -0.811 . . . . 2.45 109.355 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.43 -42.18 98.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.235 -0.916 . . . . 1.75 109.801 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 344' ' ' LEU . 48.2 mt -62.22 -46.21 89.88 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 0.31 109.507 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -57.52 -46.23 84.08 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.36 -0.838 . . . . 1.22 109.414 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -62.29 -33.14 74.07 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.408 -0.808 . . . . 1.73 109.597 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.858 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.43 -52.83 63.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.837 . . . . 0.28 109.663 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 20.3 mt -61.47 -40.92 96.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -0.905 . . . . 0.31 109.35 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.224 -0.923 . . . . 1.91 109.203 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.568 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.2 tp -64.26 -40.99 97.13 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.298 -0.876 . . . . 0.43 109.08 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HD3' HD22 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -62.15 -51.93 65.87 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.93 -0.767 . . . . 1.57 108.93 179.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.36 -29.38 61.33 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.621 -0.675 . . . . 1.44 109.645 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.5 95.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 0.64 109.558 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.431 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -83.3 -14.07 53.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 1.21 109.356 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.41 -8.83 57.51 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.22 109.547 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -10.92 76.18 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.677 -1.369 . . . . 1.5 109.677 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 103.95 16.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.233 -1.157 . . . . 4.18 109.294 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.27 147.68 7.18 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.24 -0.913 . . . . 5.67 109.325 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.63 127.7 23.49 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.092 1.861 . . . . 5.65 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.022 -1.432 . . . . 7.27 109.529 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.443 -0.577 . . . . 7.33 109.443 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.79 -119.56 0.93 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.151 -0.968 . . . . 7.21 109.453 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.54 91.46 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.768 -1.208 . . . . 6.47 109.247 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -58.93 171.13 2.28 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.178 1.919 . . . . 4.53 110.44 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 323' ' ' LEU . 27.3 mt -79.98 149.13 30.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.325 -0.859 . . . . 4.35 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -82.03 13.93 3.1 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.255 -0.903 . . . . 2.48 110.081 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.36 137.52 35.31 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.695 -1.362 . . . . 0.98 109.695 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.31 129.39 41.01 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.554 -0.968 . . . . 1.7 109.921 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -94.95 155.68 16.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.61 109.041 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.0 m-85 -140.2 -170.42 2.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.977 -1.077 . . . . 0.58 110.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -152.75 159.44 43.11 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.268 -0.895 . . . . 0.42 109.307 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -148.47 136.92 21.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.36 109.64 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.64 128.72 35.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.311 -0.868 . . . . 1.37 109.191 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.6 mt -123.97 115.52 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.012 -1.055 . . . . 0.47 109.558 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.77 153.0 40.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.299 -0.876 . . . . 2.1 109.679 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.28 137.87 7.05 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.835 -1.306 . . . . 0.42 109.835 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.1 ttp180 -81.01 -58.53 3.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -1.113 . . . . 2.68 109.437 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.21 -42.88 87.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.304 -0.872 . . . . 2.22 109.345 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.5 -42.73 96.93 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.357 -0.839 . . . . 2.77 109.294 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 39.2 t80 -55.4 -56.79 16.06 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.396 -0.815 . . . . 0.43 109.728 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.98 -34.26 28.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.819 . . . . 1.66 110.08 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.31 -48.24 78.88 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.144 -0.972 . . . . 0.44 110.004 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.498 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.7 m-85 -61.18 -50.35 73.48 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.169 -0.957 . . . . 0.29 109.377 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.22 -40.84 59.65 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.261 -0.899 . . . . 2.44 109.692 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.66 98.48 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 1.74 109.983 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 344' ' ' LEU . 54.7 mt -62.2 -42.79 99.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.3 109.383 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.91 -50.54 72.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.88 . . . . 1.22 109.65 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -62.08 -32.43 72.97 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.282 -0.886 . . . . 1.72 109.887 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -0.916 . . . . 0.27 110.02 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.38 -44.47 97.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.29 109.757 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.95 -36.42 74.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 1.91 109.562 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.615 HD21 HE21 ' B' ' 354' ' ' GLN . 6.3 tp -64.55 -41.92 96.04 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.41 109.544 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.524 ' HA ' HD22 ' B' ' 350' ' ' LEU . 13.1 ttmm -61.43 -44.52 96.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.272 -0.893 . . . . 1.56 109.047 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.98 -33.07 64.48 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.456 -0.777 . . . . 1.43 109.559 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.04 85.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 0.66 109.544 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.717 HE21 HD21 ' B' ' 350' ' ' LEU . 1.9 mp0 -81.89 -4.93 57.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.286 -0.884 . . . . 1.18 109.592 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.37 -31.07 68.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.142 -0.974 . . . . 1.23 109.349 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.81 56.11 4.84 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.432 -1.467 . . . . 1.54 109.432 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.85 108.47 18.77 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -1.205 . . . . 4.18 109.637 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.554 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -51.25 -56.83 17.03 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.148 -0.97 . . . . 5.71 109.658 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.554 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.4 Cg_endo -61.35 140.43 88.11 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 121.845 1.696 . . . . 5.61 110.118 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 118.018 -1.435 . . . . 7.24 109.582 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.595 -0.52 . . . . 7.34 109.595 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -119.57 0.93 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.835 . . . . 7.17 109.473 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.6 91.43 0.08 OUTLIER Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.877 -1.139 . . . . 6.44 109.296 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -59.04 171.17 2.32 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.17 1.913 . . . . 4.54 110.472 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' B' ' 323' ' ' LEU . 27.2 mt -80.03 149.19 30.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.354 -0.842 . . . . 4.32 109.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -81.97 13.17 3.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.318 -0.864 . . . . 2.47 110.043 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -65.28 137.36 37.74 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.778 -1.329 . . . . 0.95 109.778 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.46 129.49 41.4 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.619 -0.93 . . . . 1.61 109.964 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -94.96 155.63 16.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.894 . . . . 0.57 109.099 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.1 m-85 -140.12 -170.47 2.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.013 -1.055 . . . . 0.53 109.996 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 66.9 p -152.72 159.55 43.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.427 -0.795 . . . . 0.38 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.5 tp -148.57 136.82 21.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.048 -1.032 . . . . 0.36 109.693 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.49 128.7 34.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.266 -0.897 . . . . 1.36 109.31 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.9 115.54 45.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.104 -0.997 . . . . 0.49 109.517 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.71 153.0 40.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.371 -0.831 . . . . 2.1 109.659 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.96 7.06 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.827 -1.309 . . . . 0.44 109.827 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.2 ttp180 -81.01 -58.62 3.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.294 -1.121 . . . . 2.72 109.374 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.1 -42.95 86.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.36 -0.837 . . . . 2.21 109.358 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.42 -42.8 96.76 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.349 -0.845 . . . . 2.79 109.391 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.3 t80 -55.33 -56.8 15.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.466 -0.771 . . . . 0.45 109.711 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -51.05 -34.3 29.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 1.68 109.934 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.36 -48.17 79.06 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.104 -0.998 . . . . 0.43 110.033 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.8 m-85 -61.21 -50.51 72.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.258 -0.901 . . . . 0.28 109.247 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -51.07 -40.83 59.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.375 -0.828 . . . . 2.52 109.749 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.82 -42.76 98.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 1.75 109.976 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' B' ' 344' ' ' LEU . 55.8 mt -62.17 -42.73 99.54 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.126 -0.984 . . . . 0.31 109.487 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -57.92 -50.48 73.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.456 -0.777 . . . . 1.21 109.715 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.09 -32.47 73.02 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.35 -0.843 . . . . 1.69 109.865 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.908 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.44 -49.76 76.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.177 -0.952 . . . . 0.27 109.998 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.41 -44.6 96.86 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.368 -0.832 . . . . 0.3 109.692 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.5 74.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 1.93 109.633 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.717 HD21 HE21 ' A' ' 354' ' ' GLN . 6.3 tp -64.35 -42.11 96.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.4 109.55 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.27 -44.6 96.97 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.367 -0.833 . . . . 1.59 109.092 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.03 -33.03 64.55 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.504 -0.747 . . . . 1.43 109.531 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.17 86.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.145 -0.972 . . . . 0.65 109.465 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.615 HE21 HD21 ' A' ' 350' ' ' LEU . 1.9 mp0 -81.84 -4.93 57.68 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 1.19 109.577 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -30.92 67.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.241 -0.912 . . . . 1.22 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 55.98 4.84 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.519 -1.433 . . . . 1.53 109.519 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.69 108.51 18.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.161 -1.199 . . . . 4.21 109.729 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.548 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -51.13 -56.85 16.61 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.179 -0.95 . . . . 5.68 109.679 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.4 Cg_endo -61.46 140.53 88.03 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.858 1.705 . . . . 5.57 110.095 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.99 -1.45 . . . . 7.2 109.505 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 46.6 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.416 -0.587 . . . . 8.96 109.416 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.84 -119.55 0.93 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.36 -0.838 . . . . 8.15 109.455 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.56 91.45 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.887 -1.133 . . . . 7.15 109.351 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -59.07 171.2 2.34 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.276 1.984 . . . . 4.35 110.414 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 323' ' ' LEU . 27.0 mt -80.08 149.17 30.73 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 4.63 109.479 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -81.97 13.6 3.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.309 -0.87 . . . . 2.85 110.115 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.01 137.48 36.13 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.711 -1.355 . . . . 1.12 109.711 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -61.32 129.42 41.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.627 -0.925 . . . . 2.11 109.999 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -95.02 155.57 16.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.64 109.033 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -140.1 -170.39 2.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.49 110.051 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.2 p -152.75 159.46 43.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.37 -0.831 . . . . 0.47 109.266 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.5 tp -148.55 136.81 21.13 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.42 109.646 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 128.63 34.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 1.81 109.299 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.8 115.65 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.096 -1.002 . . . . 0.42 109.527 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.86 152.98 40.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.363 -0.835 . . . . 2.35 109.643 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.25 137.85 7.02 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.842 -1.303 . . . . 0.41 109.842 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.55 3.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 2.59 109.387 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.23 -42.89 87.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.32 -0.863 . . . . 2.54 109.348 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.4 -42.76 96.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.312 -0.868 . . . . 3.39 109.4 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 329' ' ' THR . 39.6 t80 -55.34 -56.86 15.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.422 -0.799 . . . . 0.47 109.753 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -50.99 -34.24 28.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.895 . . . . 1.66 110.029 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -63.39 -48.18 78.93 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.144 -0.972 . . . . 0.61 109.983 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.492 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.8 m-85 -61.14 -50.48 73.04 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.279 -0.888 . . . . 0.33 109.296 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -51.12 -40.78 59.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.423 -0.798 . . . . 3.28 109.787 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.9 -42.75 98.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.15 -0.969 . . . . 1.78 109.897 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' C' ' 344' ' ' LEU . 54.8 mt -62.22 -42.64 99.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.225 -0.922 . . . . 0.38 109.461 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -57.97 -50.5 73.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.379 -0.825 . . . . 1.2 109.71 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -62.24 -32.27 72.94 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.268 -0.895 . . . . 2.12 109.833 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.53 -49.92 75.63 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.259 -0.9 . . . . 0.26 109.926 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.3 -44.52 97.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.928 . . . . 0.4 109.719 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.79 -36.57 74.66 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.245 -0.91 . . . . 2.09 109.608 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.743 HD21 HE21 ' D' ' 354' ' ' GLN . 6.3 tp -64.47 -41.88 96.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.75 109.558 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.353 -0.842 . . . . 2.19 108.989 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.97 -33.02 64.4 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.419 -0.8 . . . . 1.34 109.603 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.14 85.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.292 -0.88 . . . . 0.72 109.495 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.478 HE21 HD21 ' D' ' 350' ' ' LEU . 1.9 mp0 -81.77 -4.94 57.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.305 -0.872 . . . . 1.8 109.644 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.97 67.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 1.39 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.91 56.12 4.83 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.428 -1.469 . . . . 1.66 109.428 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.83 108.48 18.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.262 -1.14 . . . . 4.45 109.692 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.558 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -51.17 -56.85 16.73 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.382 -0.824 . . . . 6.19 109.681 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.558 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.4 Cg_endo -61.39 140.52 88.34 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 121.848 1.699 . . . . 5.58 110.055 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.974 -1.459 . . . . 6.9 109.523 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.48 -0.563 . . . . 7.36 109.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.67 -119.51 0.94 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.284 -0.885 . . . . 7.15 109.489 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 25.4 mttt 59.58 91.4 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 120.841 -1.162 . . . . 6.5 109.319 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -58.97 171.25 2.24 Favored 'Trans proline' 0 C--N 1.311 -1.395 0 C-N-CA 122.219 1.946 . . . . 4.5 110.503 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 323' ' ' LEU . 27.0 mt -80.08 149.22 30.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.364 -0.835 . . . . 4.32 109.53 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -82.04 13.58 3.3 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 2.46 109.981 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.07 137.48 35.99 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.709 -1.356 . . . . 0.97 109.709 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.33 129.45 41.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.589 -0.948 . . . . 1.67 109.98 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -95.0 155.62 16.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.226 -0.921 . . . . 0.61 109.055 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -140.13 -170.4 2.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.56 110.012 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 66.8 p -152.73 159.64 43.13 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.346 -0.846 . . . . 0.43 109.171 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' B' ' 329' ' ' THR . 13.6 tp -148.71 136.92 21.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.35 109.645 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.69 128.75 35.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.393 -0.817 . . . . 1.37 109.228 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.91 115.55 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.48 109.524 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.74 152.99 40.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.301 -0.874 . . . . 2.08 109.63 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.24 137.9 7.04 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.783 -1.327 . . . . 0.4 109.783 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.2 ttp180 -80.97 -58.57 3.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.429 -1.042 . . . . 2.64 109.39 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.09 -43.15 86.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 2.22 109.277 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.32 -42.78 96.32 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.304 -0.873 . . . . 2.74 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' B' ' 329' ' ' THR . 39.2 t80 -55.42 -56.85 15.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 0.43 109.647 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.9 -34.38 28.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.835 . . . . 1.69 109.998 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.26 -48.22 79.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.043 -1.035 . . . . 0.43 110.094 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.493 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.2 m-85 -61.02 -50.57 72.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.927 . . . . 0.27 109.381 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -51.17 -40.77 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.393 -0.817 . . . . 2.45 109.74 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -60.85 -42.64 98.23 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.245 -0.91 . . . . 1.75 110.023 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' D' ' 344' ' ' LEU . 54.5 mt -62.24 -42.69 99.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.31 109.466 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.88 -50.63 72.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.33 -0.856 . . . . 1.22 109.654 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -62.13 -32.29 72.86 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.195 -0.941 . . . . 1.73 109.913 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.4 -49.87 75.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.132 -0.98 . . . . 0.28 109.954 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.38 -44.63 96.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.31 109.718 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.85 -36.45 74.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.252 -0.905 . . . . 1.91 109.594 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.487 HD23 HD23 ' C' ' 350' ' ' LEU . 6.3 tp -64.42 -42.11 96.22 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.43 109.491 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.463 ' HA ' HD22 ' C' ' 350' ' ' LEU . 13.1 ttmm -61.3 -44.54 97.04 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.342 -0.849 . . . . 1.57 109.025 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.05 -32.94 64.53 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.481 -0.762 . . . . 1.44 109.582 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.09 85.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.219 -0.926 . . . . 0.64 109.46 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.743 HE21 HD21 ' C' ' 350' ' ' LEU . 1.9 mp0 -81.76 -5.09 57.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.243 -0.91 . . . . 1.21 109.558 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -31.06 68.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.039 -1.038 . . . . 1.22 109.406 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.82 56.12 4.84 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.464 -1.455 . . . . 1.5 109.464 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -86.78 108.4 18.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.198 -1.177 . . . . 4.18 109.699 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -51.18 -56.82 16.98 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 5.67 109.678 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.4 Cg_endo -61.49 140.44 87.38 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 121.881 1.721 . . . . 5.65 110.086 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.966 -1.463 . . . . 7.27 109.47 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 63.5 mttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.409 -0.589 . . . . 7.33 109.409 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 78.89 -26.94 0.16 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.331 -0.855 . . . . 7.21 110.515 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.552 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 45.5 mmtt 54.38 58.14 12.12 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.858 -1.151 . . . . 6.47 109.743 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -61.73 95.86 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.135 1.89 . . . . 4.53 110.068 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.67 108.67 14.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.905 . . . . 4.35 109.549 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.64 -162.66 0.54 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.862 . . . . 2.48 109.499 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.88 171.09 39.23 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.558 -1.417 . . . . 0.98 109.558 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.0 137.68 57.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.202 -1.176 . . . . 1.7 109.556 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -98.55 150.47 21.67 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.61 109.789 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.9 m-85 -139.73 137.52 35.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.288 -0.883 . . . . 0.58 108.935 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.54 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 75.8 p -93.06 166.77 12.19 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.23 -0.919 . . . . 0.42 110.269 -179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 330' ' ' LEU . 25.2 tp -147.03 131.83 17.99 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.424 -0.798 . . . . 0.36 109.722 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.75 123.85 32.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 1.37 109.359 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 18.8 mt -124.45 116.86 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.352 -0.842 . . . . 0.47 109.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -74.02 150.87 40.42 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.164 -0.96 . . . . 2.1 109.416 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.15 133.24 6.84 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.801 -1.319 . . . . 0.42 109.801 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.3 ttt180 -82.95 -54.7 4.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.274 -1.133 . . . . 2.68 109.512 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.89 -45.77 85.93 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 2.22 109.291 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.3 -38.7 84.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.339 -0.851 . . . . 2.77 109.24 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' C' ' 329' ' ' THR . 77.9 t80 -54.75 -55.44 29.98 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.421 -0.799 . . . . 0.43 109.685 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.66 -34.8 39.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.374 -0.829 . . . . 1.66 109.859 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.07 -47.86 82.78 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.139 -0.976 . . . . 0.44 109.744 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.22 -44.82 96.66 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.152 -0.968 . . . . 0.29 109.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -53.15 -42.01 65.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.352 -0.842 . . . . 2.44 109.975 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.32 -49.62 77.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.181 -0.95 . . . . 1.74 109.979 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.32 -33.1 71.92 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.113 -0.992 . . . . 0.3 108.85 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.03 -57.07 14.44 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.615 -0.678 . . . . 1.22 109.754 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.12 -26.55 68.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 1.72 110.15 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -60.84 3.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -0.904 . . . . 0.27 110.284 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.18 -38.34 82.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.29 109.554 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.72 -36.09 75.87 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.265 -0.897 . . . . 1.91 109.47 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.513 HD11 ' NE2' ' B' ' 354' ' ' GLN . 38.1 tp -65.01 -40.83 95.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.254 -0.904 . . . . 0.41 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -50.73 70.93 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.847 -0.797 . . . . 1.56 108.847 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -57.16 -32.85 66.83 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.666 -0.646 . . . . 1.43 109.764 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.49 84.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.913 . . . . 0.66 109.805 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.773 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.5 OUTLIER -82.62 -6.85 59.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 1.18 109.82 -179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.94 -10.89 60.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.071 -1.018 . . . . 1.23 109.72 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.94 -11.1 74.14 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.743 -1.343 . . . . 1.54 109.743 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.77 127.53 35.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.174 -1.192 . . . . 4.18 109.623 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 0.2 OUTLIER -50.95 157.36 1.41 Allowed Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.289 -0.882 . . . . 5.71 109.441 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.431 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 2.9 Cg_endo -61.19 124.28 14.5 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.226 1.951 . . . . 5.61 110.199 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.513 -1.435 . . . . 7.24 109.513 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.528 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 63.4 mttt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.535 -0.543 . . . . 7.34 109.535 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 78.97 -27.03 0.16 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.274 -0.892 . . . . 7.17 110.505 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.545 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 45.8 mmtt 54.45 58.05 12.04 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 120.839 -1.163 . . . . 6.44 109.734 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -61.66 95.98 0.13 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.028 1.819 . . . . 4.54 109.985 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 63.9 mt -80.85 108.82 14.84 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.21 -0.931 . . . . 4.32 109.532 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.4 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 1.7 m-20 -81.86 -162.6 0.55 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.208 -0.932 . . . . 2.47 109.391 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.82 171.31 38.58 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.532 -1.427 . . . . 0.95 109.532 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.17 137.7 57.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.31 -1.112 . . . . 1.61 109.523 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.4 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 23.6 m-85 -98.69 150.47 21.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.57 109.737 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -139.68 137.7 35.42 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.833 -0.803 . . . . 0.53 108.833 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.557 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.7 p -93.15 166.74 12.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.165 -0.959 . . . . 0.38 110.117 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 330' ' ' LEU . 25.0 tp -147.03 131.73 17.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.415 -0.803 . . . . 0.36 109.823 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.66 123.89 32.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 1.36 109.361 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 18.9 mt -124.58 116.94 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 0.49 109.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -74.07 150.99 40.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.199 -0.938 . . . . 2.1 109.405 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.485 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.17 133.26 6.85 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.808 -1.317 . . . . 0.44 109.808 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.562 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.3 ttt180 -83.14 -54.56 4.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -1.119 . . . . 2.72 109.419 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.89 -45.81 85.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 2.21 109.269 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -38.9 84.56 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.262 -0.899 . . . . 2.79 109.242 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.581 ' CE1' ' O ' ' D' ' 329' ' ' THR . 77.9 t80 -54.69 -55.43 29.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.381 -0.824 . . . . 0.45 109.615 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.57 -34.91 38.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.391 -0.818 . . . . 1.68 109.928 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.93 -47.77 83.43 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.228 -0.92 . . . . 0.43 109.883 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.38 -44.7 96.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.28 109.145 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -53.32 -41.9 66.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.541 -0.724 . . . . 2.52 109.951 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.23 -49.71 76.81 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.206 -0.934 . . . . 1.75 109.986 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.27 -33.12 71.88 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.205 -0.934 . . . . 0.31 108.838 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.98 -57.23 13.77 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.523 -0.735 . . . . 1.21 109.672 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.03 -26.56 68.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.414 -0.804 . . . . 1.69 110.162 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.67 -60.9 3.07 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.197 -0.939 . . . . 0.27 110.274 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.434 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 15.6 mt -60.31 -38.2 82.95 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.228 -0.92 . . . . 0.3 109.532 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.73 -36.02 75.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.224 -0.923 . . . . 1.93 109.51 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.773 HD11 ' NE2' ' A' ' 354' ' ' GLN . 38.0 tp -64.98 -40.92 95.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.387 -0.821 . . . . 0.4 109.315 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -50.53 71.73 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.743 0.782 . . . . 1.59 108.934 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -57.45 -32.73 67.22 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.71 -0.619 . . . . 1.43 109.811 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.58 85.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 0.65 109.756 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.513 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.5 OUTLIER -82.64 -6.76 59.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 1.19 109.804 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.98 -10.94 60.49 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 1.22 109.673 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.0 -11.06 74.03 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.723 -1.351 . . . . 1.53 109.723 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.73 127.57 35.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -1.125 . . . . 4.21 109.652 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.43 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 0.2 OUTLIER -51.02 157.37 1.44 Allowed Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 5.68 109.481 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.43 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -61.19 124.24 14.43 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.22 1.947 . . . . 5.57 110.192 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.985 -1.453 . . . . 7.2 109.499 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 63.3 mttt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.299 0.571 . . . . 8.96 109.508 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 78.86 -26.96 0.16 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.285 -0.884 . . . . 8.15 110.595 -179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 45.6 mmtt 54.42 58.03 12.08 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.842 -1.161 . . . . 7.15 109.782 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.549 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -61.7 96.02 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.006 1.804 . . . . 4.35 110.034 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 63.4 mt -80.81 108.75 14.74 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.216 -0.928 . . . . 4.63 109.562 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.72 -162.61 0.54 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 2.85 109.44 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.85 171.22 38.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.569 -1.412 . . . . 1.12 109.569 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.14 137.64 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.213 -1.169 . . . . 2.11 109.589 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -98.48 150.52 21.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.64 109.79 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.6 m-85 -139.79 137.56 35.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.49 108.904 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.546 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 75.9 p -92.94 166.83 12.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -0.955 . . . . 0.47 110.171 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.437 ' HA ' HD12 ' C' ' 330' ' ' LEU . 24.8 tp -147.05 131.67 17.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.404 -0.81 . . . . 0.42 109.86 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.68 123.81 32.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.188 -0.945 . . . . 1.81 109.459 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.47 116.98 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.286 -0.884 . . . . 0.42 109.942 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.477 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -74.14 150.98 40.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.172 -0.955 . . . . 2.35 109.396 179.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.477 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.11 133.19 6.8 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.805 -1.318 . . . . 0.41 109.805 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.3 ttt180 -83.0 -54.61 4.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.24 -1.153 . . . . 2.59 109.511 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -57.92 -45.71 86.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -0.905 . . . . 2.54 109.282 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.29 -38.78 84.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.463 -0.773 . . . . 3.39 109.277 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CE1' ' O ' ' A' ' 329' ' ' THR . 77.8 t80 -54.81 -55.25 32.22 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.476 -0.765 . . . . 0.47 109.69 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -51.72 -34.9 41.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.405 -0.809 . . . . 1.66 109.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.0 ttp -61.92 -47.88 82.94 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.185 -0.947 . . . . 0.61 109.844 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -61.33 -44.7 96.76 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.214 -0.929 . . . . 0.33 109.132 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -53.17 -41.89 65.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.396 -0.815 . . . . 3.28 110.015 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.38 -49.65 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.18 -0.95 . . . . 1.78 109.94 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.34 -33.1 71.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.169 -0.957 . . . . 0.38 108.824 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.1 -57.05 14.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.534 -0.729 . . . . 1.2 109.682 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.06 -26.61 68.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.371 -0.831 . . . . 2.12 110.129 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.82 -60.93 3.01 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.06 -1.025 . . . . 0.26 110.128 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.22 -38.2 82.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.341 -0.849 . . . . 0.4 109.519 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.82 -36.06 76.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 2.09 109.358 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.915 HD11 ' NE2' ' D' ' 354' ' ' GLN . 38.1 tp -65.05 -40.75 95.23 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -0.892 . . . . 0.75 109.38 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -50.69 71.01 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.877 -0.786 . . . . 2.19 108.877 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -57.19 -32.85 66.88 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.625 -0.672 . . . . 1.34 109.803 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.53 85.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.275 -0.891 . . . . 0.72 109.798 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.805 ' NE2' HD11 ' D' ' 350' ' ' LEU . 0.5 OUTLIER -82.73 -6.64 59.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 1.8 109.801 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.09 -10.93 60.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.174 -0.954 . . . . 1.39 109.634 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.9 -11.13 74.22 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.791 -1.324 . . . . 1.66 109.791 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -88.77 127.62 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -1.129 . . . . 4.45 109.615 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 0.2 OUTLIER -51.0 157.41 1.42 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 6.19 109.348 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.427 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 2.8 Cg_endo -61.18 124.37 14.68 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.175 1.917 . . . . 5.58 110.173 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.523 -1.431 . . . . 6.9 109.523 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 63.5 mttt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.388 -0.597 . . . . 7.36 109.388 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 78.82 -26.99 0.16 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.329 -0.857 . . . . 7.15 110.564 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.552 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 45.5 mmtt 54.43 57.99 12.09 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 120.894 -1.129 . . . . 6.5 109.825 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.2 Cg_endo -61.67 95.94 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.095 1.863 . . . . 4.5 110.038 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 63.7 mt -80.78 108.74 14.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 4.32 109.55 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.74 -162.63 0.55 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.346 -0.846 . . . . 2.46 109.416 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.97 171.22 39.32 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.528 -1.429 . . . . 0.97 109.528 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.04 137.67 57.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -1.165 . . . . 1.67 109.618 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -98.57 150.49 21.66 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.61 109.787 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.7 m-85 -139.78 137.51 35.1 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.56 108.923 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.581 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.6 p -93.11 166.55 12.29 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.217 -0.927 . . . . 0.43 110.198 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' D' ' 330' ' ' LEU . 25.0 tp -146.82 131.79 18.17 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.401 -0.812 . . . . 0.35 109.831 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -87.63 123.94 33.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 1.37 109.379 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.59 116.99 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.33 -0.857 . . . . 0.48 109.806 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -74.15 150.87 40.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.149 -0.97 . . . . 2.08 109.341 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.21 133.22 6.85 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.3 ttt180 -82.94 -54.76 4.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.367 -1.078 . . . . 2.64 109.433 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -57.9 -45.85 85.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.321 -0.862 . . . . 2.22 109.278 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.434 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.08 -38.84 84.1 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.299 -0.876 . . . . 2.74 109.293 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' B' ' 329' ' ' THR . 77.7 t80 -54.72 -55.4 30.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.421 -0.799 . . . . 0.43 109.665 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -51.63 -34.9 39.68 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.362 -0.836 . . . . 1.69 109.879 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.06 -47.71 83.5 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.146 -0.971 . . . . 0.43 109.755 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -61.32 -44.82 96.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.245 -0.91 . . . . 0.27 109.178 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -53.11 -42.02 65.58 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 2.45 109.983 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.36 -49.6 77.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.209 -0.932 . . . . 1.75 109.896 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.3 -33.06 71.82 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.131 -0.98 . . . . 0.31 108.849 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -60.13 -57.1 14.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.525 -0.735 . . . . 1.22 109.618 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -63.13 -26.47 68.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.388 -0.82 . . . . 1.73 110.144 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.7 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.81 -60.9 3.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.138 -0.976 . . . . 0.28 110.179 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.14 -38.33 82.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.31 109.558 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.65 -36.09 75.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 1.91 109.528 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.805 HD11 ' NE2' ' C' ' 354' ' ' GLN . 37.9 tp -64.96 -40.92 95.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.164 -0.96 . . . . 0.43 109.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' HD22 ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.96 -50.7 71.08 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.932 -0.766 . . . . 1.57 108.932 179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -57.27 -32.66 66.83 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.623 -0.673 . . . . 1.44 109.807 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -37.45 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.64 109.777 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.915 ' NE2' HD11 ' C' ' 350' ' ' LEU . 0.5 OUTLIER -82.68 -6.81 59.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.214 -0.928 . . . . 1.21 109.745 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.01 -10.77 60.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.124 -0.985 . . . . 1.22 109.722 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.08 -11.09 73.69 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.691 -1.364 . . . . 1.5 109.691 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -88.74 127.66 35.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.17 -1.194 . . . . 4.18 109.672 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.428 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 0.2 OUTLIER -51.09 157.43 1.48 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 5.67 109.423 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.428 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -61.14 124.33 14.63 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.169 1.913 . . . . 5.65 110.213 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.959 -1.467 . . . . 7.27 109.63 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 79.9 mttt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.49 -0.559 . . . . 7.33 109.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.09 122.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.179 -0.95 . . . . 7.21 109.579 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.09 89.34 0.11 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 6.47 109.379 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.91 105.25 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.224 1.95 . . . . 4.53 110.499 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.424 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 42.8 mt -80.72 142.24 34.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.368 -0.832 . . . . 4.35 109.074 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.25 5.04 15.74 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.15 -0.969 . . . . 2.48 109.929 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.419 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -68.69 138.93 32.41 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.457 -1.457 . . . . 0.98 109.457 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.43 126.59 27.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.576 -0.955 . . . . 1.7 109.759 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.424 ' OH ' ' HB2' ' A' ' 323' ' ' LEU . 46.0 m-85 -94.49 156.63 16.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.119 -0.988 . . . . 0.61 109.115 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.3 m-85 -140.34 -175.16 4.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.176 -0.953 . . . . 0.58 109.736 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.564 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.7 p -152.91 156.86 39.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.42 109.26 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.2 130.67 16.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.093 -1.004 . . . . 0.36 109.721 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.82 130.88 34.29 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 1.37 109.408 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' A' ' 341' ' ' PHE . 31.7 mt -123.51 116.04 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.893 . . . . 0.47 109.268 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 149.19 43.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -0.905 . . . . 2.1 109.445 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.65 133.73 4.15 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.525 -1.43 . . . . 0.42 109.525 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -75.3 -45.46 39.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -1.165 . . . . 2.68 109.486 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.39 -46.62 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.313 -0.867 . . . . 2.22 109.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.524 ' HB2' ' NH1' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -59.3 -45.57 90.92 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.297 -0.877 . . . . 2.77 109.889 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.578 ' HD1' HD12 ' A' ' 332' ' ' ILE . 53.0 t80 -54.77 -55.73 26.94 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.372 -0.83 . . . . 0.43 109.858 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.58 -39.35 57.75 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.878 . . . . 1.66 110.236 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.36 -47.7 81.03 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.09 -1.006 . . . . 0.44 110.537 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.33 -52.31 65.19 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.046 -1.034 . . . . 0.29 109.444 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.79 -38.25 47.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.39 -0.819 . . . . 2.44 109.631 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.21 -42.84 99.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.234 -0.916 . . . . 1.74 109.848 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 84.3 mt -62.5 -46.07 90.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.197 -0.94 . . . . 0.3 109.564 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.17 -44.0 87.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.388 -0.82 . . . . 1.22 109.958 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.66 97.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 1.72 110.023 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.33 -52.73 64.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.257 -0.902 . . . . 0.27 110.176 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.01 -40.35 93.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.267 -0.895 . . . . 0.29 109.793 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.91 109.64 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 22.5 tp -63.71 -44.58 93.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.273 -0.892 . . . . 0.41 109.602 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.87 -48.2 80.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.311 -0.868 . . . . 1.56 109.233 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.46 -31.88 66.39 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.477 -0.765 . . . . 1.43 109.792 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.8 -42.43 90.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.154 -0.966 . . . . 0.66 109.523 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.21 -6.41 59.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 1.18 109.533 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.14 -16.17 61.99 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 1.23 109.605 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 -25.0 38.61 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.427 -1.469 . . . . 1.54 109.427 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.21 152.11 21.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.4 -1.059 . . . . 4.18 109.314 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' A' ' 359' ' ' PRO . 4.9 mt-10 -50.41 156.89 1.35 Allowed Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.929 . . . . 5.71 109.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' A' ' 358' ' ' GLU . 3.3 Cg_exo -60.65 128.07 24.63 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.161 1.907 . . . . 5.61 110.267 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.962 -1.466 . . . . 7.24 109.496 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.463 -0.569 . . . . 7.34 109.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.27 122.87 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.293 -0.879 . . . . 7.17 109.455 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.1 89.29 0.11 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.24 -0.913 . . . . 6.44 109.374 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.99 105.3 0.27 Allowed 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.125 1.883 . . . . 4.54 110.493 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.43 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 42.2 mt -80.67 142.25 34.11 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.292 -0.88 . . . . 4.32 109.079 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -80.32 4.93 16.23 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 2.47 109.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -68.62 138.8 32.37 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.539 -1.424 . . . . 0.95 109.539 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.32 126.49 27.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.504 -0.998 . . . . 1.61 109.763 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.43 ' OH ' ' HB2' ' B' ' 323' ' ' LEU . 45.6 m-85 -94.38 156.63 16.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.301 -0.874 . . . . 0.57 109.096 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 70.3 m-85 -140.48 -175.28 4.21 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.094 -1.004 . . . . 0.53 109.694 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.503 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 17.8 p -152.77 157.01 40.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.38 109.228 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -147.25 130.64 16.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.17 -0.956 . . . . 0.36 109.66 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.89 131.0 34.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.377 -0.827 . . . . 1.36 109.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.603 HG21 ' HD2' ' B' ' 341' ' ' PHE . 31.4 mt -123.56 115.91 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.229 -0.92 . . . . 0.49 109.383 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.86 149.21 43.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.263 -0.898 . . . . 2.1 109.412 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.55 133.79 4.12 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.589 -1.405 . . . . 0.44 109.589 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.478 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.2 ttt180 -75.36 -45.42 39.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -1.122 . . . . 2.72 109.453 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.33 -46.76 85.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.825 . . . . 2.21 109.444 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.513 ' HB2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -59.4 -45.54 91.19 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.228 -0.92 . . . . 2.79 109.802 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.577 ' HD1' HD12 ' B' ' 332' ' ' ILE . 53.1 t80 -54.74 -55.65 27.67 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.421 -0.799 . . . . 0.45 109.887 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.56 -39.36 57.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.301 -0.874 . . . . 1.68 110.277 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.43 -47.72 80.75 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.087 -1.008 . . . . 0.43 110.493 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HD2' HG21 ' B' ' 332' ' ' ILE . 28.2 m-85 -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.989 -1.07 . . . . 0.28 109.462 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.84 -38.26 47.97 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.344 -0.848 . . . . 2.52 109.582 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -61.19 -42.93 99.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.124 -0.985 . . . . 1.75 109.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 84.7 mt -62.35 -46.21 89.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.335 -0.853 . . . . 0.31 109.614 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.04 -43.98 87.12 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.29 -0.881 . . . . 1.21 109.991 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.47 -40.57 97.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.304 -0.873 . . . . 1.69 110.021 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.44 -52.64 64.72 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.293 -0.879 . . . . 0.27 110.143 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.0 -40.3 92.99 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.153 -0.967 . . . . 0.3 109.874 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -61.09 -36.33 79.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 1.93 109.805 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.446 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 22.2 tp -63.69 -44.63 93.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.254 -0.904 . . . . 0.4 109.596 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.78 -48.23 80.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.435 -0.791 . . . . 1.59 109.281 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.34 -32.01 66.29 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.563 -0.711 . . . . 1.43 109.735 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.29 90.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.65 109.577 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -82.31 -6.31 59.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 1.19 109.493 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.98 61.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.17 -0.956 . . . . 1.22 109.648 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.19 -25.05 38.21 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.314 -1.514 . . . . 1.53 109.314 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.18 152.08 21.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -1.094 . . . . 4.21 109.283 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.423 ' HG2' ' HD2' ' B' ' 359' ' ' PRO . 4.8 mt-10 -50.27 156.9 1.3 Allowed Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.117 -0.99 . . . . 5.68 109.285 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.423 ' HD2' ' HG2' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -60.74 128.18 24.88 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.217 1.945 . . . . 5.57 110.199 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 117.931 -1.483 . . . . 7.2 109.486 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 80.0 mttt . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.481 -0.562 . . . . 8.96 109.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.17 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.22 -0.925 . . . . 8.15 109.551 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 58.13 89.4 0.11 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.917 . . . . 7.15 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.97 105.28 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.181 1.921 . . . . 4.35 110.433 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.427 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 42.5 mt -80.68 142.18 34.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.361 -0.837 . . . . 4.63 109.113 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -80.27 4.96 16.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 2.85 109.965 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -68.6 138.84 32.46 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.479 -1.448 . . . . 1.12 109.479 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.32 126.43 27.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.392 -1.064 . . . . 2.11 109.807 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 46.5 m-85 -94.35 156.65 16.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.64 109.145 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.4 m-85 -140.43 -175.17 4.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.141 -0.974 . . . . 0.49 109.68 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.56 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 17.6 p -152.88 156.87 39.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.363 -0.836 . . . . 0.47 109.208 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.21 130.65 16.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.119 -0.988 . . . . 0.42 109.68 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.93 131.03 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.388 -0.82 . . . . 1.81 109.405 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.595 HG21 ' HD2' ' C' ' 341' ' ' PHE . 31.8 mt -123.56 116.06 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.42 109.31 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -73.0 149.17 43.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 2.35 109.393 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.76 4.14 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.548 -1.421 . . . . 0.41 109.548 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.4 ttt180 -75.34 -45.43 39.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -1.13 . . . . 2.59 109.478 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.3 -46.75 85.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 2.54 109.449 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -59.23 -45.6 90.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.295 -0.878 . . . . 3.39 109.904 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.586 ' HD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -54.71 -55.79 26.14 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.434 -0.792 . . . . 0.47 109.816 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.49 -39.42 57.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 1.66 110.266 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -63.39 -47.77 80.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.076 -1.015 . . . . 0.61 110.399 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.595 ' HD2' HG21 ' C' ' 332' ' ' ILE . 28.4 m-85 -61.3 -52.18 65.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.1 -1.0 . . . . 0.33 109.506 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.87 -38.29 48.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.301 -0.874 . . . . 3.28 109.58 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.17 -42.88 99.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 1.78 109.77 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' D' ' 344' ' ' LEU . 84.2 mt -62.49 -46.19 89.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.174 -0.954 . . . . 0.38 109.539 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -57.95 -44.17 86.84 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.424 -0.797 . . . . 1.2 109.915 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.31 -40.56 97.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.294 -0.879 . . . . 2.12 110.088 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.39 -52.62 64.83 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.245 -0.909 . . . . 0.26 110.198 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.09 -40.39 93.53 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.168 -0.958 . . . . 0.4 109.737 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -60.99 -36.44 79.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.232 -0.917 . . . . 2.09 109.656 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.473 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 22.4 tp -63.59 -44.79 92.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.75 109.559 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.69 -48.36 79.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.235 -0.916 . . . . 2.19 109.215 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.37 -31.95 66.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.457 -0.777 . . . . 1.34 109.754 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.34 90.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.72 109.559 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -82.22 -6.45 59.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.249 -0.907 . . . . 1.8 109.52 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.1 -16.01 62.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.143 -0.973 . . . . 1.39 109.674 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -25.02 38.36 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.431 -1.468 . . . . 1.66 109.431 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.24 152.06 21.78 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.279 -1.13 . . . . 4.45 109.331 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.416 ' HG2' ' HD2' ' C' ' 359' ' ' PRO . 4.9 mt-10 -50.21 156.79 1.3 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.149 -0.97 . . . . 6.19 109.355 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.416 ' HD2' ' HG2' ' C' ' 358' ' ' GLU . 3.3 Cg_exo -60.63 128.16 24.96 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.234 1.956 . . . . 5.58 110.183 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 118.013 -1.437 . . . . 6.9 109.581 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 79.9 mttt . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.301 0.572 . . . . 7.36 109.563 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 13.5 tttm 63.13 122.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.121 -0.987 . . . . 7.15 109.428 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 34.5 mttm 58.1 89.33 0.11 Allowed Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.235 -0.915 . . . . 6.5 109.325 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.97 105.33 0.27 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.289 1.993 . . . . 4.5 110.427 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.431 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 42.4 mt -80.82 142.2 33.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.367 -0.833 . . . . 4.32 109.031 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.27 5.05 15.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.197 -0.94 . . . . 2.46 109.919 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -68.68 138.91 32.41 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.442 -1.463 . . . . 0.97 109.442 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.33 126.53 27.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.491 -1.005 . . . . 1.67 109.815 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 45.9 m-85 -94.45 156.65 16.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.17 -0.956 . . . . 0.61 109.009 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.6 m-85 -140.54 -175.31 4.23 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.217 -0.927 . . . . 0.56 109.678 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.7 p -152.73 156.9 40.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.877 . . . . 0.43 109.17 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -147.24 130.7 16.71 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 0.35 109.632 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 34.3 tt0 -86.84 131.03 34.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 1.37 109.345 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.593 HG21 ' HD2' ' D' ' 341' ' ' PHE . 32.2 mt -123.71 115.95 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.183 -0.948 . . . . 0.48 109.223 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.408 ' CZ ' ' HA3' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -72.95 149.21 43.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 2.08 109.458 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.6 133.81 4.15 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.596 -1.402 . . . . 0.4 109.596 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -75.41 -45.41 39.11 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -1.144 . . . . 2.64 109.482 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -58.25 -46.71 85.49 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.318 -0.864 . . . . 2.22 109.562 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.527 ' HB2' ' NH1' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -59.35 -45.58 90.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.292 -0.88 . . . . 2.74 109.873 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' D' ' 332' ' ' ILE . 53.5 t80 -54.74 -55.69 27.26 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.402 -0.811 . . . . 0.43 109.884 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.54 -39.4 57.66 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.296 -0.877 . . . . 1.69 110.288 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.7 ttp -63.4 -47.72 80.83 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.034 -1.041 . . . . 0.43 110.507 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.593 ' HD2' HG21 ' D' ' 332' ' ' ILE . 28.1 m-85 -61.32 -52.22 65.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.009 -1.057 . . . . 0.27 109.431 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -50.85 -38.29 48.29 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.426 -0.796 . . . . 2.45 109.522 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -61.15 -42.89 99.36 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.161 -0.962 . . . . 1.75 109.85 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.592 HD22 HD22 ' C' ' 344' ' ' LEU . 84.6 mt -62.35 -46.2 89.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.31 109.576 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.11 -44.03 87.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.385 -0.822 . . . . 1.22 109.945 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.4 -40.57 97.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 1.73 110.056 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.647 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.3 -52.85 63.87 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.229 -0.919 . . . . 0.28 110.189 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.93 -40.34 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 0.31 109.809 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.01 -36.43 79.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 1.91 109.755 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.473 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 22.4 tp -63.75 -44.5 93.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.291 -0.881 . . . . 0.43 109.627 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -62.85 -48.23 79.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.453 -0.78 . . . . 1.57 109.207 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.37 -31.93 66.28 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.602 -0.686 . . . . 1.44 109.761 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.33 90.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.64 109.516 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -82.31 -6.32 59.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.316 -0.865 . . . . 1.21 109.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.14 -16.03 61.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.169 -0.957 . . . . 1.22 109.711 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.08 -25.06 38.53 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.427 -1.469 . . . . 1.5 109.427 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.3 151.96 21.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.329 -1.101 . . . . 4.18 109.284 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.407 ' HG2' ' HD2' ' D' ' 359' ' ' PRO . 4.9 mt-10 -50.12 156.81 1.27 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.141 -0.974 . . . . 5.67 109.421 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' D' ' 358' ' ' GLU . 3.3 Cg_exo -60.62 128.04 24.58 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.263 1.975 . . . . 5.65 110.257 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.015 -1.436 . . . . 7.27 109.537 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mttm . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.302 0.572 . . . . 7.33 109.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.03 81.68 0.12 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 7.21 109.546 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.91 91.18 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 6.47 109.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.28 -2.03 7.43 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.118 1.879 . . . . 4.53 110.881 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 29.7 mt -82.29 104.68 12.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.877 -1.139 . . . . 4.35 109.722 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.417 ' CB ' ' HD2' ' C' ' 333' ' ' ARG . 5.1 m-20 -82.11 -159.12 0.28 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 2.48 109.316 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.05 179.79 23.12 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.458 -1.457 . . . . 0.98 109.458 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.14 135.81 57.75 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.259 -1.142 . . . . 1.7 109.608 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -95.58 144.92 25.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.257 -0.902 . . . . 0.61 109.401 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 51.0 m-85 -138.66 137.28 36.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.16 -0.962 . . . . 0.58 109.243 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 19.4 p -92.12 176.66 6.42 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.453 -0.779 . . . . 0.42 109.716 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' C' ' 342' ' ' ARG . 15.2 tp -148.83 129.13 13.77 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.481 -0.762 . . . . 0.36 109.05 179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.66 120.46 27.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 1.37 109.802 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 341' ' ' PHE . 42.5 mt -123.88 106.66 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.47 109.427 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -73.75 139.06 44.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 2.1 109.51 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.05 7.54 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 13.5 ttp180 -82.21 -59.59 2.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.18 -1.188 . . . . 2.68 109.529 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.47 -40.83 83.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.899 . . . . 2.22 109.563 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.836 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -62.55 -44.2 96.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.32 -0.863 . . . . 2.77 109.298 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 24.5 t80 -54.9 -47.09 74.79 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.402 -0.811 . . . . 0.43 109.288 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.19 -40.97 59.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 1.66 110.005 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 17.4 ttp -62.72 -46.23 89.06 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.936 . . . . 0.44 110.273 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 22.1 m-85 -61.02 -56.26 23.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.064 -1.023 . . . . 0.29 109.409 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' C' ' 330' ' ' LEU . 9.1 ttm180 -49.93 -34.44 20.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.402 -0.812 . . . . 2.44 109.597 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.44 -49.98 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.205 -0.934 . . . . 1.74 109.435 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' B' ' 344' ' ' LEU . 96.5 mt -61.42 -34.98 76.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.282 -0.886 . . . . 0.3 108.929 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.16 66.92 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.389 -0.819 . . . . 1.22 109.506 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.8 -33.24 74.79 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.377 -0.827 . . . . 1.72 109.91 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.96 -53.63 54.92 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.254 -0.904 . . . . 0.27 110.065 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' NH1' ' C' ' 337' ' ' ARG . 59.2 mt -61.22 -41.12 96.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.288 -0.882 . . . . 0.29 109.762 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.09 -37.45 82.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 1.91 110.001 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.9 -44.78 88.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.41 109.506 -179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.0 ttmt -61.67 -43.65 98.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 1.56 109.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.25 -33.12 67.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.525 -0.734 . . . . 1.43 109.794 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.35 87.44 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -0.888 . . . . 0.66 109.791 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.05 -11.11 58.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.139 -0.976 . . . . 1.18 109.601 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.27 -30.21 63.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.185 -0.947 . . . . 1.23 109.813 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.26 -20.52 54.73 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.012 -1.235 . . . . 1.54 110.012 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.422 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 3.7 mttp -89.63 61.93 5.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.12 -1.224 . . . . 4.18 109.431 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.13 106.77 0.64 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.304 -0.873 . . . . 5.71 109.67 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.3 Cg_endo -62.92 137.57 63.32 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 121.952 1.768 . . . . 5.61 110.31 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 CA-C-O 117.981 -1.455 . . . . 7.24 109.59 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.291 0.567 . . . . 7.34 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.04 81.61 0.12 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.291 -0.881 . . . . 7.17 109.553 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.04 91.04 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.234 -0.916 . . . . 6.44 109.371 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.25 -1.89 7.16 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.101 1.867 . . . . 4.54 110.943 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.29 104.65 12.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.915 -1.116 . . . . 4.32 109.656 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.424 ' CB ' ' HD2' ' D' ' 333' ' ' ARG . 5.0 m-20 -82.0 -159.18 0.28 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 2.47 109.347 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 179.75 22.48 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.95 109.521 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.21 135.82 57.76 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.139 -1.212 . . . . 1.61 109.586 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -95.61 145.04 25.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.152 -0.968 . . . . 0.57 109.418 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 51.1 m-85 -138.79 137.34 36.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.159 -0.963 . . . . 0.53 109.225 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 19.0 p -92.3 176.46 6.47 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.363 -0.836 . . . . 0.38 109.719 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' D' ' 342' ' ' ARG . 15.2 tp -148.61 129.19 14.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.432 -0.793 . . . . 0.36 109.06 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.36 27.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.839 . . . . 1.36 109.831 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.516 HD13 ' CB ' ' B' ' 341' ' ' PHE . 42.7 mt -123.78 106.72 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.49 109.378 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.84 139.1 44.86 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.215 -0.928 . . . . 2.1 109.432 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.18 136.97 7.5 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.753 -1.339 . . . . 0.44 109.753 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 13.5 ttp180 -81.99 -59.76 2.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.251 -1.147 . . . . 2.72 109.515 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.95 83.78 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.229 -0.919 . . . . 2.21 109.522 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.775 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.1 tpp180 -62.45 -44.22 96.94 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.359 -0.838 . . . . 2.79 109.256 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.422 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 24.6 t80 -54.83 -47.33 74.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.372 -0.83 . . . . 0.45 109.266 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.14 -40.79 59.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.68 110.01 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.79 -46.34 88.44 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.222 -0.924 . . . . 0.43 110.203 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.642 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 21.9 m-85 -61.01 -56.2 23.85 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.192 -0.943 . . . . 0.28 109.431 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.599 ' HA ' HD11 ' D' ' 330' ' ' LEU . 9.1 ttm180 -50.05 -34.45 21.53 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.352 -0.843 . . . . 2.52 109.49 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.4 -49.96 75.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.064 -1.023 . . . . 1.75 109.534 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 344' ' ' LEU . 96.5 mt -61.33 -34.99 76.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.304 -0.873 . . . . 0.31 109.022 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.445 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.3 t-20 -58.89 -52.14 67.0 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.47 -0.769 . . . . 1.21 109.465 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -62.79 -33.29 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.415 -0.803 . . . . 1.69 109.837 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.851 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.02 -53.63 54.85 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.386 -0.821 . . . . 0.27 109.999 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.763 HD22 ' NH1' ' D' ' 337' ' ' ARG . 58.7 mt -61.12 -41.33 96.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.3 109.764 -179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.85 -37.6 82.65 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.353 -0.842 . . . . 1.93 109.989 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.1 tt -64.88 -44.72 88.73 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.268 -0.895 . . . . 0.4 109.581 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.0 ttmt -61.62 -43.77 98.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.431 -0.793 . . . . 1.59 109.243 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.03 67.26 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.528 -0.733 . . . . 1.43 109.839 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.44 87.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.186 -0.946 . . . . 0.65 109.864 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -83.01 -11.16 58.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 1.19 109.624 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.19 -30.32 63.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.155 -0.966 . . . . 1.22 109.772 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.11 -20.58 54.93 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.048 -1.221 . . . . 1.53 110.048 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 3.7 mttp -89.65 62.0 5.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.099 -1.236 . . . . 4.21 109.471 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.09 106.83 0.65 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 5.68 109.636 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.3 Cg_endo -62.93 137.63 63.63 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 122.0 1.8 . . . . 5.57 110.237 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.923 -1.487 . . . . 7.2 109.578 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.268 0.556 . . . . 8.96 109.592 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.11 81.61 0.12 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.265 -0.897 . . . . 8.15 109.562 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.82 91.19 0.08 OUTLIER Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.275 -0.89 . . . . 7.15 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.21 -2.0 7.32 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.152 1.901 . . . . 4.35 110.971 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.0 mt -82.29 104.76 12.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.977 -1.077 . . . . 4.63 109.674 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 333' ' ' ARG . 5.1 m-20 -82.08 -159.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.19 -0.944 . . . . 2.85 109.308 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 179.8 22.9 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.456 -1.458 . . . . 1.12 109.456 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -59.07 135.71 57.72 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.166 -1.196 . . . . 2.11 109.57 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 15.2 m-85 -95.47 145.05 25.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.64 109.444 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 50.8 m-85 -138.82 137.33 36.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.27 -0.894 . . . . 0.49 109.223 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.31 176.43 6.48 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.509 -0.744 . . . . 0.47 109.729 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' ' 342' ' ' ARG . 15.2 tp -148.61 129.1 13.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.407 -0.808 . . . . 0.42 109.122 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.6 120.51 27.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 1.81 109.844 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.519 HD13 ' CB ' ' C' ' 341' ' ' PHE . 43.1 mt -123.96 106.65 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.306 -0.871 . . . . 0.42 109.399 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.417 ' HD2' ' CB ' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.86 139.17 44.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 2.35 109.467 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.19 137.04 7.52 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.671 -1.372 . . . . 0.41 109.671 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 13.5 ttp180 -82.12 -59.58 2.51 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -1.092 . . . . 2.59 109.517 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.4 -40.98 83.88 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.312 -0.867 . . . . 2.54 109.569 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.766 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.27 96.77 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.268 -0.895 . . . . 3.39 109.174 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -54.81 -47.23 74.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.396 -0.815 . . . . 0.47 109.248 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.18 -40.86 59.61 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 1.66 109.998 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.3 ttp -62.83 -46.15 89.26 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.61 110.27 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.627 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 22.3 m-85 -60.93 -56.44 21.13 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.135 -0.978 . . . . 0.33 109.385 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.571 ' HA ' HD11 ' A' ' 330' ' ' LEU . 9.1 ttm180 -49.96 -34.38 20.63 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.354 -0.841 . . . . 3.28 109.522 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.46 -49.87 75.86 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.196 -0.94 . . . . 1.78 109.543 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' D' ' 344' ' ' LEU . 96.5 mt -61.44 -34.98 76.34 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.38 109.021 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.3 t-20 -58.86 -52.07 67.32 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.392 -0.818 . . . . 1.2 109.508 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -62.79 -33.26 74.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.435 -0.791 . . . . 2.12 109.88 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.07 -53.7 53.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.26 109.921 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 HH12 ' A' ' 337' ' ' ARG . 58.9 mt -61.08 -41.46 96.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.333 -0.855 . . . . 0.4 109.724 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.53 82.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.234 -0.916 . . . . 2.09 109.944 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.673 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.1 tt -65.03 -44.57 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.75 109.566 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 2.19 109.393 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.39 -33.0 67.38 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.533 -0.729 . . . . 1.34 109.868 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.4 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.297 -0.877 . . . . 0.72 109.758 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -82.92 -11.16 58.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.185 -0.947 . . . . 1.8 109.628 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.29 63.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 1.39 109.75 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -20.65 54.66 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.997 -1.241 . . . . 1.66 109.997 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 3.8 mttp -89.57 62.05 5.76 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.082 -1.246 . . . . 4.45 109.386 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.26 106.77 0.65 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.266 -0.896 . . . . 6.19 109.702 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 2.2 Cg_endo -62.78 137.53 63.8 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 121.976 1.784 . . . . 5.58 110.371 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 117.919 -1.489 . . . . 6.9 109.597 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.285 0.564 . . . . 7.36 109.625 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.33 81.53 0.13 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.3 -0.875 . . . . 7.15 109.495 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 57.89 91.16 0.08 OUTLIER Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.251 -0.906 . . . . 6.5 109.357 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -67.27 -1.97 7.32 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.138 1.892 . . . . 4.5 110.93 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.29 104.76 12.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.006 -1.059 . . . . 4.32 109.677 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 5.0 m-20 -82.01 -159.16 0.28 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.11 -0.994 . . . . 2.46 109.334 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 179.78 22.94 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.488 -1.445 . . . . 0.97 109.488 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.09 135.78 57.74 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.261 -1.14 . . . . 1.67 109.58 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 15.0 m-85 -95.61 145.06 25.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.61 109.392 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 50.4 m-85 -138.79 137.25 36.5 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.18 -0.95 . . . . 0.56 109.33 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 19.2 p -92.25 176.3 6.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.455 -0.778 . . . . 0.43 109.713 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' B' ' 342' ' ' ARG . 15.2 tp -148.46 129.17 14.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.308 -0.87 . . . . 0.35 109.11 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -86.61 120.39 27.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.218 -0.926 . . . . 1.37 109.862 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CB ' ' D' ' 341' ' ' PHE . 42.8 mt -123.9 106.57 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 0.48 109.526 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.424 ' HD2' ' CB ' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.67 139.13 45.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.293 -0.879 . . . . 2.08 109.507 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.12 137.0 7.53 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.834 -1.306 . . . . 0.4 109.834 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 13.4 ttp180 -82.18 -59.58 2.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -1.107 . . . . 2.64 109.494 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.38 -40.99 83.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 2.22 109.53 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.763 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.1 tpp180 -62.52 -44.29 96.72 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.27 -0.894 . . . . 2.74 109.175 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.4 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 24.7 t80 -54.72 -47.26 73.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.335 -0.853 . . . . 0.43 109.359 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -51.12 -40.85 59.43 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.217 -0.927 . . . . 1.69 110.092 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.2 ttp -62.69 -46.42 88.23 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.126 -0.984 . . . . 0.43 110.169 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.638 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 22.2 m-85 -60.89 -56.4 21.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.27 109.458 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.585 ' HA ' HD11 ' B' ' 330' ' ' LEU . 9.1 ttm180 -49.84 -34.51 20.09 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.283 -0.886 . . . . 2.45 109.536 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.41 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.063 -1.023 . . . . 1.75 109.593 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.502 HD22 HD22 ' C' ' 344' ' ' LEU . 96.5 mt -61.29 -35.1 76.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.198 -0.939 . . . . 0.31 109.028 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.435 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.2 t-20 -58.69 -52.22 66.61 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.423 -0.798 . . . . 1.22 109.553 179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.75 -33.37 75.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.401 -0.812 . . . . 1.73 109.833 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.844 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.85 -53.76 53.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.915 . . . . 0.28 109.956 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.775 HD22 ' NH1' ' B' ' 337' ' ' ARG . 59.5 mt -61.11 -41.42 96.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.31 109.728 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.88 -37.5 82.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 1.91 110.023 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.672 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.95 -44.67 88.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -0.878 . . . . 0.43 109.568 -179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.515 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 9.0 ttmt -61.65 -43.72 98.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 1.57 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.17 -33.22 67.22 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.584 -0.698 . . . . 1.44 109.837 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.45 87.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.64 109.838 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -82.93 -11.14 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.222 -0.924 . . . . 1.21 109.678 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.24 -30.35 63.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 1.22 109.759 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.13 -20.64 54.78 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 110.097 -1.201 . . . . 1.5 110.097 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 3.8 mttp -89.59 61.97 5.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -1.233 . . . . 4.18 109.447 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 106.82 0.65 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 5.67 109.62 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.3 Cg_endo -62.96 137.6 63.3 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.971 1.781 . . . . 5.65 110.247 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.95 -1.472 . . . . 7.27 109.566 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.267 0.556 . . . . 7.33 109.538 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 319' ' ' LYS . 8.3 tttt 61.99 120.23 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.215 -0.928 . . . . 7.21 109.46 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 135.87 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 6.47 109.546 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.24 -152.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 121.997 1.798 . . . . 4.53 110.196 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.99 157.03 28.19 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.188 -0.945 . . . . 4.35 109.452 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -79.18 -138.64 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.339 -0.85 . . . . 2.48 109.379 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.07 159.51 49.57 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.528 -1.429 . . . . 0.98 109.528 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.23 145.66 36.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.206 -1.173 . . . . 1.7 109.533 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.0 m-85 -93.39 152.39 19.15 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.21 -0.931 . . . . 0.61 109.271 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.47 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.5 m-85 -139.24 -168.7 2.5 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.58 109.663 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 7.8 p -152.42 160.92 43.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.862 . . . . 0.42 109.465 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.9 133.52 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.36 109.404 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.44 129.11 34.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.334 -0.854 . . . . 1.37 109.403 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 338' ' ' PHE . 30.5 mt -123.94 118.57 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.229 -0.92 . . . . 0.47 109.485 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.97 150.15 40.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.344 -0.848 . . . . 2.1 109.588 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 134.22 5.36 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.727 -1.349 . . . . 0.42 109.727 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.84 -53.7 6.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.176 -1.191 . . . . 2.68 109.327 179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.63 -46.17 87.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 2.22 109.274 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.446 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 0.4 OUTLIER -60.99 -41.24 96.09 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.354 -0.841 . . . . 2.77 109.318 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 332' ' ' ILE . 49.2 t80 -55.23 -56.12 23.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.465 -0.772 . . . . 0.43 109.593 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.87 -33.62 24.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.404 -0.81 . . . . 1.66 109.867 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.37 75.19 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.44 109.916 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -61.38 -48.88 79.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.29 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.51 -37.98 51.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 2.44 109.503 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -47.7 84.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.311 -0.868 . . . . 1.74 109.659 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' B' ' 344' ' ' LEU . 49.2 mt -61.46 -33.98 74.66 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.27 -0.893 . . . . 0.3 108.735 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.71 -57.46 12.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.495 -0.753 . . . . 1.22 109.429 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -26.11 68.6 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.348 -0.845 . . . . 1.72 109.824 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.97 -57.9 10.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.144 -0.973 . . . . 0.27 110.022 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.66 -40.13 90.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.186 -0.946 . . . . 0.29 109.461 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.2 -35.63 73.93 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.239 -0.913 . . . . 1.91 109.294 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.578 HD22 ' HD3' ' B' ' 351' ' ' LYS . 10.3 tp -64.98 -40.73 95.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.376 -0.827 . . . . 0.41 109.222 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.426 ' HD3' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -62.51 -50.36 71.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.461 -0.774 . . . . 1.56 109.073 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.78 -30.11 60.75 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.616 -0.677 . . . . 1.43 109.702 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.74 82.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.897 . . . . 0.66 109.736 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.549 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -82.81 -9.25 59.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 1.18 109.612 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.63 -22.68 60.91 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.096 -1.002 . . . . 1.23 109.214 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.85 43.54 3.25 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.586 -1.406 . . . . 1.54 109.586 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.27 137.6 32.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.239 -1.154 . . . . 4.18 109.525 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.27 155.78 1.62 Allowed Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.322 -0.862 . . . . 5.71 109.34 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.52 -1.8 7.23 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.168 1.912 . . . . 5.61 110.856 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.47 -1.452 . . . . 7.24 109.47 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.349 0.595 . . . . 7.34 109.522 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' B' ' 319' ' ' LYS . 8.3 tttt 62.1 120.21 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.199 -0.938 . . . . 7.17 109.487 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.12 135.81 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.293 -0.879 . . . . 6.44 109.511 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.28 -152.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.094 1.863 . . . . 4.54 110.174 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.92 157.04 28.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.159 -0.963 . . . . 4.32 109.465 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -79.23 -139.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.284 -0.885 . . . . 2.47 109.318 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.31 159.4 47.55 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.643 -1.383 . . . . 0.95 109.643 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.27 145.7 36.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.308 -1.113 . . . . 1.61 109.514 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 7.8 m-85 -93.36 152.33 19.21 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.228 -0.92 . . . . 0.57 109.264 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 68.8 m-85 -139.27 -168.72 2.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.296 -0.878 . . . . 0.53 109.723 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 7.9 p -152.38 160.87 43.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.38 109.504 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.3 tp -148.81 133.46 17.79 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.326 -0.859 . . . . 0.36 109.522 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.18 34.94 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -0.869 . . . . 1.36 109.407 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' B' ' 338' ' ' PHE . 30.9 mt -123.97 118.52 54.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.49 109.506 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.94 150.2 40.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 2.1 109.652 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.57 134.18 5.27 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.784 -1.326 . . . . 0.44 109.784 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -80.7 -53.77 6.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -1.191 . . . . 2.72 109.398 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -46.33 86.81 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.336 -0.852 . . . . 2.21 109.293 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.497 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 0.4 OUTLIER -60.91 -41.3 95.87 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.313 -0.867 . . . . 2.79 109.296 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.484 ' CD1' HD12 ' B' ' 332' ' ' ILE . 49.3 t80 -55.28 -56.01 24.84 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.799 . . . . 0.45 109.6 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.01 -33.48 25.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.341 -0.85 . . . . 1.68 109.9 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.8 -49.44 74.92 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.164 -0.96 . . . . 0.43 109.893 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -48.8 79.52 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.237 -0.914 . . . . 0.28 109.307 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.53 -38.06 52.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.882 . . . . 2.52 109.515 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.64 -47.78 84.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.157 -0.965 . . . . 1.75 109.675 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.547 HD22 HD22 ' A' ' 344' ' ' LEU . 49.6 mt -61.4 -33.96 74.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.31 108.729 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.84 -57.4 13.22 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.457 -0.777 . . . . 1.21 109.404 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -26.11 68.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 1.69 109.793 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.96 -58.0 10.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.272 -0.893 . . . . 0.27 109.979 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.401 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 38.4 mt -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.3 109.488 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.11 -35.69 73.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 1.93 109.39 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.549 HD21 ' NE2' ' A' ' 354' ' ' GLN . 10.3 tp -64.97 -40.67 95.33 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.4 109.304 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.578 ' HD3' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.4 -50.4 71.7 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.662 0.744 . . . . 1.59 109.065 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -30.04 61.0 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.708 -0.62 . . . . 1.43 109.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.98 81.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.815 . . . . 0.65 109.638 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.53 -9.26 59.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.107 -0.996 . . . . 1.19 109.689 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.69 -22.6 60.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 1.22 109.242 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 43.45 3.24 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.638 -1.385 . . . . 1.53 109.638 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.29 137.53 32.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -1.205 . . . . 4.21 109.442 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.34 155.85 1.63 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 5.68 109.369 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -67.52 -1.85 7.31 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.241 1.961 . . . . 5.57 110.763 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 118.045 -1.42 . . . . 7.2 109.562 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.362 0.601 . . . . 8.96 109.477 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' C' ' 319' ' ' LYS . 8.2 tttt 62.07 120.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.19 -0.944 . . . . 8.15 109.547 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.18 135.83 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.346 -0.846 . . . . 7.15 109.546 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.39 -152.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.004 1.803 . . . . 4.35 110.144 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.9 157.01 28.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.227 -0.921 . . . . 4.63 109.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -79.09 -138.84 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 2.85 109.479 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.8 159.48 48.9 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.599 -1.401 . . . . 1.12 109.599 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -58.24 145.57 37.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.285 -1.126 . . . . 2.11 109.493 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 7.9 m-85 -93.3 152.4 19.19 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.29 -0.881 . . . . 0.64 109.283 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.5 m-85 -139.23 -168.71 2.5 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -0.921 . . . . 0.49 109.705 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 7.9 p -152.38 160.98 43.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.269 -0.894 . . . . 0.47 109.445 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.4 tp -148.96 133.41 17.59 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.181 -0.949 . . . . 0.42 109.494 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 17.2 tt0 -86.32 129.01 35.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 1.81 109.472 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.486 HD12 ' CD1' ' C' ' 338' ' ' PHE . 30.5 mt -123.87 118.58 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.42 109.587 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.99 150.1 40.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 2.35 109.703 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.61 134.2 5.3 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.822 -1.311 . . . . 0.41 109.822 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.47 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -80.69 -53.87 6.14 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.259 -1.142 . . . . 2.59 109.301 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -46.41 86.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 2.54 109.326 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -41.27 95.5 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.332 -0.855 . . . . 3.39 109.342 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' C' ' 332' ' ' ILE . 49.6 t80 -55.25 -56.07 24.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.465 -0.772 . . . . 0.47 109.611 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -50.98 -33.56 25.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 1.66 109.912 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.77 -49.34 75.38 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.183 -0.948 . . . . 0.61 109.942 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.46 -49.04 78.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.185 -0.947 . . . . 0.33 109.113 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -51.4 -37.98 51.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.319 -0.863 . . . . 3.28 109.485 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -47.69 84.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.249 -0.907 . . . . 1.78 109.715 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' D' ' 344' ' ' LEU . 49.7 mt -61.52 -33.81 74.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.38 108.773 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.86 -57.4 13.19 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.438 -0.788 . . . . 1.2 109.4 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -26.01 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.438 -0.789 . . . . 2.12 109.727 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.03 -57.95 10.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.311 -0.868 . . . . 0.26 109.966 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.446 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 37.7 mt -60.63 -40.24 91.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.175 -0.953 . . . . 0.4 109.427 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.07 -35.68 73.77 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -0.919 . . . . 2.09 109.316 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.477 HD11 HE21 ' D' ' 354' ' ' GLN . 10.3 tp -64.95 -40.74 95.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.75 109.25 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.28 72.13 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 2.19 109.132 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.95 -30.08 61.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.708 -0.62 . . . . 1.34 109.634 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.98 82.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.72 109.699 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.608 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -82.78 -9.13 59.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.143 -0.973 . . . . 1.8 109.645 -179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.8 -22.49 60.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.172 -0.955 . . . . 1.39 109.207 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.93 43.41 3.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.555 -1.418 . . . . 1.66 109.555 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.21 137.56 32.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.203 -1.175 . . . . 4.45 109.458 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.28 155.71 1.64 Allowed Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.254 -0.904 . . . . 6.19 109.426 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.36 -1.91 7.29 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.259 1.973 . . . . 5.58 110.806 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.479 -1.449 . . . . 6.9 109.479 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.427 -0.583 . . . . 7.36 109.427 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 319' ' ' LYS . 8.3 tttt 62.03 120.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.33 -0.856 . . . . 7.15 109.47 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.24 135.82 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.319 -0.863 . . . . 6.5 109.539 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.39 -152.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.104 1.87 . . . . 4.5 110.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.9 156.97 28.36 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.241 -0.912 . . . . 4.32 109.517 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -79.03 -138.9 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 2.46 109.459 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.9 159.55 49.1 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.602 -1.399 . . . . 0.97 109.602 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.19 145.57 36.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.281 -1.129 . . . . 1.67 109.542 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 7.8 m-85 -93.29 152.39 19.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.61 109.328 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.5 m-85 -139.28 -168.67 2.5 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.957 . . . . 0.56 109.656 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.8 p -152.4 160.87 43.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.187 -0.946 . . . . 0.43 109.463 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -148.82 133.45 17.78 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -0.922 . . . . 0.35 109.508 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -86.36 129.1 34.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.344 -0.847 . . . . 1.37 109.441 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.478 HD12 ' CD1' ' D' ' 338' ' ' PHE . 30.4 mt -123.94 118.47 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.153 -0.967 . . . . 0.48 109.509 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -73.92 150.11 41.05 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.353 -0.842 . . . . 2.08 109.733 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.55 134.18 5.26 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.825 -1.31 . . . . 0.4 109.825 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -80.62 -53.9 6.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -1.114 . . . . 2.64 109.308 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -46.45 86.67 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 2.22 109.248 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.401 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 0.4 OUTLIER -60.78 -41.27 95.22 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.292 -0.88 . . . . 2.74 109.304 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.506 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.25 -56.01 24.82 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.789 . . . . 0.43 109.625 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.06 -33.53 26.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.432 -0.792 . . . . 1.69 109.866 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.73 -49.38 75.26 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.169 -0.957 . . . . 0.43 109.897 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -61.43 -49.01 78.56 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.281 -0.887 . . . . 0.27 109.185 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -51.36 -38.09 51.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.349 -0.844 . . . . 2.45 109.572 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -47.71 84.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.145 -0.972 . . . . 1.75 109.686 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.463 HD22 HD22 ' C' ' 344' ' ' LEU . 49.7 mt -61.45 -33.96 74.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.31 108.739 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.72 -57.44 12.99 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.415 -0.803 . . . . 1.22 109.407 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -25.97 68.61 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.355 -0.841 . . . . 1.73 109.728 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.747 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.07 -57.83 10.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.332 -0.855 . . . . 0.28 110.015 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 37.6 mt -60.65 -40.1 90.78 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.31 109.522 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.23 -35.63 73.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.922 . . . . 1.91 109.297 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.608 HD21 ' NE2' ' C' ' 354' ' ' GLN . 10.3 tp -64.84 -40.78 95.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.43 109.339 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -62.42 -50.29 72.1 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.433 -0.792 . . . . 1.57 109.129 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.94 -29.98 60.97 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.645 -0.659 . . . . 1.44 109.679 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.04 81.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.271 -0.893 . . . . 0.64 109.731 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.477 HE21 HD11 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -82.6 -9.26 59.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.194 -0.941 . . . . 1.21 109.684 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.77 -22.46 60.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 1.22 109.235 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.91 43.49 3.25 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.545 -1.422 . . . . 1.5 109.545 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -86.18 137.44 32.65 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -1.195 . . . . 4.18 109.563 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -50.28 155.89 1.59 Allowed Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.237 -0.914 . . . . 5.67 109.396 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -67.52 -1.91 7.43 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.314 2.01 . . . . 5.65 110.839 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.519 -1.432 . . . . 7.27 109.519 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.313 -0.625 . . . . 7.33 109.313 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 14.6 tttm 59.88 76.92 0.34 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 7.21 109.57 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.93 107.08 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 6.47 109.097 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.02 -80.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.019 1.813 . . . . 4.53 110.415 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.0 107.59 11.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.994 -1.066 . . . . 4.35 109.715 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.9 -114.88 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.176 -0.953 . . . . 2.48 109.569 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.01 166.26 47.73 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.634 -1.387 . . . . 0.98 109.634 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -58.52 129.18 40.84 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -1.046 . . . . 1.7 109.247 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 6.9 m-85 -91.77 153.39 19.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.286 -0.884 . . . . 0.61 109.394 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 83.4 m-85 -136.08 -171.26 2.83 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.317 -0.864 . . . . 0.58 109.662 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 13.4 p -151.78 158.53 43.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.303 -0.873 . . . . 0.42 109.067 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.65 133.67 18.17 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.393 -0.817 . . . . 0.36 109.45 -179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 2.9 tt0 -87.02 129.07 35.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.339 -0.851 . . . . 1.37 109.332 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 39.9 mt -124.09 113.21 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.47 109.444 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 148.39 42.05 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.173 -0.954 . . . . 2.1 109.826 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.7 132.1 6.89 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.709 -1.356 . . . . 0.42 109.709 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.7 ttt180 -75.05 -58.22 3.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.228 -1.16 . . . . 2.68 109.581 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -44.25 84.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.338 -0.851 . . . . 2.22 109.659 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.15 -42.64 95.32 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.28 -0.887 . . . . 2.77 109.53 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.6 t80 -56.18 -55.56 31.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.43 109.839 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.37 -37.64 49.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.367 -0.833 . . . . 1.66 110.012 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.53 -48.61 78.78 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.197 -0.94 . . . . 0.44 109.79 -179.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.492 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 29.6 m-85 -59.79 -52.06 67.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.028 -1.045 . . . . 0.29 109.412 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.34 -38.57 59.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.421 -0.799 . . . . 2.44 109.942 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -58.85 -42.84 90.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 1.74 109.767 -179.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' B' ' 344' ' ' LEU . 64.9 mt -61.71 -45.7 92.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.3 109.461 -179.455 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -57.9 -43.87 86.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 1.22 109.757 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.448 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 3.2 mt-10 -63.01 -37.9 89.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 1.72 109.966 -179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.38 -52.07 66.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.272 -0.892 . . . . 0.27 109.879 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.475 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 21.7 mt -60.6 -40.54 92.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.29 109.476 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.31 -38.81 81.2 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.354 -0.841 . . . . 1.91 109.711 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 21.5 tp -64.03 -42.23 97.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.41 109.575 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 14.7 ttmt -61.99 -45.84 91.84 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.169 -0.957 . . . . 1.56 109.121 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.74 -30.64 65.73 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.542 -0.724 . . . . 1.43 109.816 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.52 81.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.541 -0.724 . . . . 0.66 109.878 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' B' ' 350' ' ' LEU . 2.7 mt-30 -83.39 -10.75 58.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.986 . . . . 1.18 109.88 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.48 -14.99 61.8 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.15 -0.969 . . . . 1.23 109.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.52 -11.59 74.46 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.601 -1.4 . . . . 1.54 109.601 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 165.17 15.8 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.146 -1.208 . . . . 4.18 109.49 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -48.99 134.86 14.6 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 5.71 109.099 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -62.23 138.86 74.61 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.886 1.724 . . . . 5.61 110.109 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 118.001 -1.444 . . . . 7.24 109.647 179.924 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.378 0.609 . . . . 7.34 109.567 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 14.2 tttm 60.44 76.76 0.35 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.308 -0.87 . . . . 7.17 109.44 179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.83 107.05 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.446 0 O-C-N 121.205 -0.934 . . . . 6.44 109.105 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.72 -81.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.851 1.701 . . . . 4.54 110.407 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 12.0 mt -79.09 107.45 11.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.986 -1.071 . . . . 4.32 109.855 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.84 -114.68 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 2.47 109.838 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.25 166.23 48.34 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.661 -1.376 . . . . 0.95 109.661 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 129.03 40.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.361 -1.082 . . . . 1.61 109.341 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.516 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 6.3 m-85 -91.74 153.44 19.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.238 -0.914 . . . . 0.57 109.475 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.607 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 84.5 m-85 -136.14 -171.08 2.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.867 . . . . 0.53 109.61 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.7 p -151.81 158.6 43.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.38 109.183 -179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.6 tp -148.61 133.78 18.31 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.2 -0.937 . . . . 0.36 109.545 -179.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 2.9 tt0 -86.99 128.82 35.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.352 -0.843 . . . . 1.36 109.368 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' B' ' 341' ' ' PHE . 39.0 mt -123.89 113.24 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.49 109.447 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.51 42.37 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.145 -0.972 . . . . 2.1 109.732 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.63 132.21 6.92 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.864 -1.294 . . . . 0.44 109.864 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 62.4 ttt180 -75.18 -58.16 3.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.176 -1.191 . . . . 2.72 109.587 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.7 -44.12 85.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.37 -0.831 . . . . 2.21 109.599 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -60.18 -42.41 94.95 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.127 -0.983 . . . . 2.79 109.6 -179.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.5 t80 -56.14 -55.93 27.02 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.438 -0.789 . . . . 0.45 109.821 -179.764 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -51.06 -37.55 46.2 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 1.68 109.998 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.5 -48.76 78.14 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.276 -0.89 . . . . 0.43 109.86 -179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 29.3 m-85 -59.85 -52.02 67.23 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.037 -1.039 . . . . 0.28 109.362 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -52.34 -38.68 59.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.481 -0.762 . . . . 2.52 109.824 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.75 -42.65 89.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.195 -0.941 . . . . 1.75 109.886 -179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.806 HD22 HD22 ' A' ' 344' ' ' LEU . 64.1 mt -61.92 -45.49 93.46 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.2 -0.937 . . . . 0.31 109.538 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -58.11 -43.75 87.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.296 -0.878 . . . . 1.21 109.632 -179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 3.3 mt-10 -63.01 -38.02 89.5 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.19 -0.944 . . . . 1.69 109.918 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.687 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.19 -52.21 66.3 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.257 -0.902 . . . . 0.27 109.943 -179.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 21.7 mt -60.66 -40.29 91.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.346 -0.846 . . . . 0.3 109.516 -179.624 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -59.56 -38.89 82.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.213 -0.929 . . . . 1.93 109.633 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.57 HD21 ' NE2' ' A' ' 354' ' ' GLN . 22.3 tp -63.91 -42.2 97.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.257 -0.902 . . . . 0.4 109.536 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 14.4 ttmt -62.07 -45.89 91.52 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 1.59 109.177 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -57.69 -30.75 65.74 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.54 -0.725 . . . . 1.43 109.755 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -44.29 81.78 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.255 -0.903 . . . . 0.65 109.988 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.52 -10.83 58.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 1.19 109.784 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.09 61.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.159 -0.963 . . . . 1.22 109.368 179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -11.44 74.57 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.636 -1.386 . . . . 1.53 109.636 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.47 165.28 15.64 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -1.231 . . . . 4.21 109.362 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -49.11 134.97 15.38 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.27 -0.894 . . . . 5.68 109.056 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -62.4 138.46 71.23 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.016 1.811 . . . . 5.57 109.999 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 CA-C-O 118.048 -1.418 . . . . 7.2 109.646 179.919 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 10.8 tttm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.399 -0.593 . . . . 8.96 109.399 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 14.3 tttm 60.55 76.89 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.326 -0.859 . . . . 8.15 109.482 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.66 107.26 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 7.15 109.057 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.12 -80.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 121.969 1.779 . . . . 4.35 110.328 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 12.6 mt -79.33 107.33 12.02 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.174 -0.953 . . . . 4.63 109.696 -179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -82.69 -114.69 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.363 -0.835 . . . . 2.85 109.717 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.499 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.28 166.38 48.23 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.559 -1.417 . . . . 1.12 109.559 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.44 129.24 41.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 2.11 109.285 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 6.2 m-85 -91.84 153.25 19.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.937 . . . . 0.64 109.418 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.2 m-85 -135.82 -170.91 2.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.49 109.484 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 13.4 p -151.95 158.42 43.11 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.309 -0.87 . . . . 0.47 109.13 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.7 tp -148.69 133.72 18.17 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -87.02 128.95 35.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.373 -0.829 . . . . 1.81 109.364 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' C' ' 341' ' ' PHE . 39.2 mt -124.06 113.16 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.42 109.523 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.81 148.3 42.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.226 -0.921 . . . . 2.35 109.719 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.94 132.38 7.07 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 62.5 ttt180 -75.14 -58.53 3.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -1.18 . . . . 2.59 109.555 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -44.29 83.98 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 2.54 109.736 -179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.05 -42.62 94.86 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.308 -0.87 . . . . 3.39 109.647 -179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.405 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -56.17 -55.8 28.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.354 -0.841 . . . . 0.47 109.756 -179.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -50.86 -37.81 45.55 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.248 -0.908 . . . . 1.66 110.073 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.41 -48.53 79.31 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.24 -0.912 . . . . 0.61 110.024 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.475 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 29.1 m-85 -60.03 -52.22 66.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.33 109.324 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -52.2 -38.79 58.95 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.423 -0.798 . . . . 3.28 109.75 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.76 -42.57 89.22 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.198 -0.939 . . . . 1.78 109.991 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.84 -45.73 92.55 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.227 -0.921 . . . . 0.38 109.474 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.87 -43.63 86.12 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.315 -0.866 . . . . 1.2 109.762 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.418 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 3.3 mt-10 -63.15 -37.98 89.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.308 -0.87 . . . . 2.12 109.813 -179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.34 -52.14 66.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.892 . . . . 0.26 110.01 -179.33 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.492 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 21.6 mt -60.65 -40.44 92.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.4 109.393 -179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.32 -38.86 81.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.191 -0.943 . . . . 2.09 109.686 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 21.7 tp -64.07 -42.08 97.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.256 -0.902 . . . . 0.75 109.595 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -62.09 -45.85 91.67 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.19 109.18 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.82 -30.57 65.83 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.588 -0.695 . . . . 1.34 109.645 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.79 81.12 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.44 -0.787 . . . . 0.72 109.957 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.501 ' NE2' HD21 ' D' ' 350' ' ' LEU . 2.8 mt-30 -83.24 -10.75 58.38 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.099 -1.001 . . . . 1.8 109.79 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.21 -15.21 61.94 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.131 -0.981 . . . . 1.39 109.445 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.72 -11.19 74.69 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.575 -1.41 . . . . 1.66 109.575 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 165.11 15.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.221 -1.164 . . . . 4.45 109.478 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -48.97 135.06 14.49 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.129 -0.982 . . . . 6.19 109.211 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.41 138.5 71.39 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.924 1.749 . . . . 5.58 110.237 -179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.819 -1.312 . . . . 6.9 109.819 -179.902 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 10.4 tttm . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.433 0.635 . . . . 7.36 109.558 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 14.5 tttm 60.19 77.03 0.34 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.234 -0.916 . . . . 7.15 109.417 179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.98 107.35 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 6.5 109.019 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.35 -80.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 121.833 1.689 . . . . 4.5 110.426 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 107.52 12.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.959 -1.088 . . . . 4.32 109.611 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -82.82 -114.85 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.325 -0.86 . . . . 2.46 109.641 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.513 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.92 166.56 47.03 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.65 -1.38 . . . . 0.97 109.65 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -58.64 129.36 41.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.349 -1.089 . . . . 1.67 109.148 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 6.4 m-85 -91.84 153.44 19.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 0.61 109.393 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 83.7 m-85 -136.03 -171.03 2.77 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.425 -0.797 . . . . 0.56 109.579 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 13.4 p -152.17 158.05 42.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.416 -0.803 . . . . 0.43 109.106 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -148.34 133.83 18.67 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.903 . . . . 0.35 109.561 -179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -86.93 128.87 35.06 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.26 -0.9 . . . . 1.37 109.427 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' D' ' 341' ' ' PHE . 39.2 mt -124.0 113.34 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.282 -0.886 . . . . 0.48 109.468 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.82 148.37 42.51 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.348 -0.845 . . . . 2.08 109.692 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.67 132.52 7.06 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.774 -1.33 . . . . 0.4 109.774 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.607 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 62.3 ttt180 -75.35 -58.51 3.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.376 -1.073 . . . . 2.64 109.528 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -44.47 84.04 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.394 -0.816 . . . . 2.22 109.681 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -59.92 -42.47 94.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.222 -0.924 . . . . 2.74 109.756 -179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.5 t80 -56.16 -55.68 30.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.835 . . . . 0.43 109.804 -179.651 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -51.23 -37.62 47.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.235 -0.915 . . . . 1.69 110.012 -179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.8 ttp -62.56 -48.48 79.3 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.157 -0.964 . . . . 0.43 109.915 -179.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.467 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 29.2 m-85 -60.03 -52.25 66.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.27 109.316 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -52.16 -38.74 58.61 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.337 -0.852 . . . . 2.45 109.827 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -58.65 -42.82 89.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.113 -0.992 . . . . 1.75 109.834 -179.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.923 HD22 HD22 ' C' ' 344' ' ' LEU . 67.2 mt -61.67 -45.68 92.96 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.287 -0.883 . . . . 0.31 109.605 -179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.93 -43.66 86.44 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.29 -0.881 . . . . 1.22 109.67 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.28 -37.94 89.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.73 109.862 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.753 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.23 -52.06 66.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.199 -0.938 . . . . 0.28 109.881 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.467 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 21.0 mt -60.61 -40.55 92.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 0.31 109.49 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.56 -38.7 81.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.355 -0.841 . . . . 1.91 109.557 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.501 HD21 ' NE2' ' C' ' 354' ' ' GLN . 21.7 tp -63.94 -42.36 97.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.149 -0.969 . . . . 0.43 109.503 -179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.466 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 14.4 ttmt -61.78 -46.08 91.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.57 109.29 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.69 -30.88 65.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.579 -0.701 . . . . 1.44 109.667 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -44.66 81.75 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.346 -0.846 . . . . 0.64 110.037 -179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -83.28 -10.71 58.37 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.06 -1.025 . . . . 1.21 109.764 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -15.14 61.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 1.22 109.357 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.62 -11.28 74.82 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.62 -1.392 . . . . 1.5 109.62 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 165.28 15.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -1.18 . . . . 4.18 109.492 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -49.09 135.0 15.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.205 -0.934 . . . . 5.67 109.13 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -62.4 138.63 72.23 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 121.851 1.7 . . . . 5.65 110.122 -179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.049 -1.417 . . . . 7.27 109.743 -179.989 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.28 0.562 . . . . 7.33 109.538 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 14.4 mttp 58.09 24.01 10.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.246 -0.909 . . . . 7.21 109.367 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.9 144.06 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 6.47 109.489 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.28 -168.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.168 1.912 . . . . 4.53 110.279 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.76 157.43 27.11 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.312 -0.867 . . . . 4.35 109.417 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.88 3.68 19.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 2.48 109.969 -179.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 125.3 19.29 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.433 -1.467 . . . . 0.98 109.433 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -63.89 133.28 53.02 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.651 -0.911 . . . . 1.7 109.799 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.526 ' CZ ' ' HD2' ' C' ' 333' ' ' ARG . 19.9 m-85 -94.93 154.87 17.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.204 -0.935 . . . . 0.61 108.892 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 87.6 m-85 -139.31 -172.73 3.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.126 -0.984 . . . . 0.58 109.945 -179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -153.1 160.06 42.86 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.402 -0.811 . . . . 0.42 109.085 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -149.79 131.3 14.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.145 -0.972 . . . . 0.36 109.663 -179.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 41.3 tt0 -86.28 127.16 34.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.345 -0.847 . . . . 1.37 109.442 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.3 mt -124.12 112.68 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.169 -0.957 . . . . 0.47 109.716 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.49 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.0 OUTLIER -73.55 149.4 42.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 2.1 109.318 179.755 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.46 131.86 7.28 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.639 -1.384 . . . . 0.42 109.639 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.501 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.2 ttt180 -74.01 -65.76 0.8 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.375 -1.074 . . . . 2.68 109.57 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.44 -39.05 82.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.429 -0.794 . . . . 2.22 109.822 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.92 -46.04 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.204 -0.935 . . . . 2.77 109.674 -179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' C' ' 329' ' ' THR . 44.1 t80 -55.03 -55.68 28.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.379 -0.825 . . . . 0.43 109.758 -179.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.72 -33.96 24.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.333 -0.854 . . . . 1.66 109.935 -179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.36 -50.73 70.41 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.197 -0.939 . . . . 0.44 109.93 -179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.434 ' HB2' HD13 ' A' ' 332' ' ' ILE . 18.3 m-85 -60.99 -48.47 81.67 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.233 -0.917 . . . . 0.29 109.25 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -51.6 -38.12 53.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.439 -0.788 . . . . 2.44 109.649 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.81 -48.4 81.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.188 -0.945 . . . . 1.74 109.604 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' B' ' 344' ' ' LEU . 71.0 mt -61.86 -33.32 73.98 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.211 -0.931 . . . . 0.3 108.69 179.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.13 25.61 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.518 -0.739 . . . . 1.22 109.602 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -63.63 -30.46 71.57 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 1.72 109.896 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.14 -55.33 33.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.27 109.95 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.78 -33.52 73.1 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.29 109.6 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.38 -40.17 95.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.948 . . . . 1.91 109.771 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.47 -49.48 71.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.286 -0.884 . . . . 0.41 109.666 -179.376 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' B' ' 346' ' ' GLU . 0.2 OUTLIER -60.35 -39.16 86.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.221 -0.924 . . . . 1.56 108.835 179.726 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.69 -33.0 67.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.495 -0.558 . . . . 1.43 109.495 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.27 87.95 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.66 109.075 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.751 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.1 mt-30 -83.47 -15.04 51.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.398 -0.814 . . . . 1.18 109.331 179.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.3 -91.61 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.301 -0.875 . . . . 1.23 109.044 179.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.14 106.97 2.93 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.101 -1.6 . . . . 1.54 109.101 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.38 148.73 26.45 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.247 -1.149 . . . . 4.18 109.579 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.573 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 2.8 mt-10 -49.11 -55.6 20.12 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.302 -0.874 . . . . 5.71 109.672 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 3.3 Cg_exo -61.03 153.68 62.41 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.881 1.72 . . . . 5.61 110.106 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.531 -1.428 . . . . 7.24 109.531 -179.941 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.485 -0.561 . . . . 7.34 109.485 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 321' ' ' LYS . 14.4 mttp 58.17 24.11 10.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 7.17 109.356 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 62.87 144.0 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 6.44 109.521 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.2 -168.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.201 1.934 . . . . 4.54 110.239 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 157.39 27.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.257 -0.902 . . . . 4.32 109.374 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -79.83 3.64 18.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.157 -0.965 . . . . 2.47 109.974 -179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.77 125.21 19.33 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.517 -1.433 . . . . 0.95 109.517 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.83 133.26 53.06 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.636 -0.92 . . . . 1.61 109.828 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.479 ' CZ ' ' HD2' ' D' ' 333' ' ' ARG . 19.9 m-85 -94.83 154.82 17.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.197 -0.939 . . . . 0.57 108.878 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.5 m-85 -139.39 -172.71 3.42 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.94 -1.1 . . . . 0.53 109.923 -179.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.9 p -152.95 160.12 43.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.336 -0.852 . . . . 0.38 109.186 -179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.1 tp -149.87 131.31 14.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.206 -0.934 . . . . 0.36 109.617 -179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.32 127.16 34.75 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 1.36 109.423 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' B' ' 341' ' ' PHE . 34.3 mt -124.17 112.58 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.125 -0.985 . . . . 0.49 109.703 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.506 ' HD2' ' CZ ' ' D' ' 327' ' ' TYR . 0.0 OUTLIER -73.49 149.32 42.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 2.1 109.289 179.821 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.53 131.96 7.31 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.586 -1.406 . . . . 0.44 109.586 179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.0 ttt180 -74.02 -65.69 0.81 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -1.14 . . . . 2.72 109.672 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.42 -39.09 82.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.387 -0.82 . . . . 2.21 109.864 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -45.91 91.14 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.137 -0.977 . . . . 2.79 109.744 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.8 t80 -55.12 -55.58 29.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.316 -0.865 . . . . 0.45 109.814 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.76 -33.94 25.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 1.68 109.842 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.38 -50.73 70.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.235 -0.916 . . . . 0.43 109.944 -179.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.44 ' HB2' HD13 ' B' ' 332' ' ' ILE . 18.3 m-85 -60.96 -48.59 81.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.28 109.167 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.61 -38.15 53.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.392 -0.817 . . . . 2.52 109.593 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.74 -48.44 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.262 -0.899 . . . . 1.75 109.631 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.969 HD22 HD22 ' A' ' 344' ' ' LEU . 71.2 mt -61.9 -33.33 74.03 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.182 -0.949 . . . . 0.31 108.729 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.546 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.8 t-20 -59.89 -56.11 25.85 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.494 -0.754 . . . . 1.21 109.559 179.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 351' ' ' LYS . 15.6 tt0 -63.56 -30.58 71.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.31 -0.868 . . . . 1.69 109.87 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.408 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.97 -55.46 32.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.303 -0.873 . . . . 0.27 109.939 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 26.8 mt -60.75 -33.52 73.06 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.379 -0.826 . . . . 0.3 109.633 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -64.41 -40.12 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 1.93 109.868 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.751 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.3 tt -64.38 -49.57 71.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.316 -0.865 . . . . 0.4 109.689 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -39.16 85.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 1.59 108.92 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -57.63 -33.03 67.83 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.27 0.557 . . . . 1.43 109.601 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.43 88.84 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.359 -0.838 . . . . 0.65 109.191 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.583 ' NE2' HD11 ' A' ' 350' ' ' LEU . 9.1 mt-30 -83.53 -14.97 51.08 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.19 109.31 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.27 -91.62 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.276 -0.89 . . . . 1.22 109.021 179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.07 106.92 2.92 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.12 -1.592 . . . . 1.53 109.12 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.41 148.61 26.5 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.257 -1.143 . . . . 4.21 109.52 -179.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.566 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.8 mt-10 -48.98 -55.66 19.41 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.305 -0.872 . . . . 5.68 109.752 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -60.98 153.62 62.56 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.901 1.734 . . . . 5.57 110.094 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 117.997 -1.446 . . . . 7.2 109.545 -179.937 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 321' ' ' LYS . 14.5 mttp 58.03 24.08 10.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.902 . . . . 8.15 109.446 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 62.95 143.98 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.371 -0.83 . . . . 7.15 109.475 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.29 -168.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.093 1.862 . . . . 4.35 110.287 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 5.5 mp -79.76 157.49 27.1 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 4.63 109.368 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.95 3.67 19.26 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 2.85 109.858 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.71 125.13 19.39 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 109.539 -1.424 . . . . 1.12 109.539 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.7 133.19 53.15 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.623 -0.928 . . . . 2.11 109.909 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.444 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 19.6 m-85 -94.93 154.78 17.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.195 -0.941 . . . . 0.64 108.863 179.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.6 m-85 -139.27 -172.74 3.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.078 -1.014 . . . . 0.49 109.978 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 40.8 p -152.99 160.09 42.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.408 -0.808 . . . . 0.47 109.095 -179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.1 tp -149.82 131.41 14.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.42 109.66 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.39 127.27 34.8 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.369 -0.832 . . . . 1.81 109.392 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' C' ' 341' ' ' PHE . 34.1 mt -124.12 112.66 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.133 -0.979 . . . . 0.42 109.689 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -73.62 149.38 42.08 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.29 -0.881 . . . . 2.35 109.279 179.754 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.52 131.95 7.3 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.593 -1.403 . . . . 0.41 109.593 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.8 ttt180 -73.95 -65.85 0.78 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.236 -1.155 . . . . 2.59 109.607 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.35 -39.02 81.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 2.54 109.865 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -45.91 91.33 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.241 -0.912 . . . . 3.39 109.705 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.8 t80 -55.05 -55.7 28.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.387 -0.82 . . . . 0.47 109.71 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.71 -33.85 24.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.335 -0.853 . . . . 1.66 109.99 -179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.39 -50.78 70.19 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.121 -0.987 . . . . 0.61 109.936 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' C' ' 332' ' ' ILE . 18.5 m-85 -60.88 -48.49 81.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.251 -0.906 . . . . 0.33 109.309 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.62 -38.19 53.55 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.444 -0.785 . . . . 3.28 109.589 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.75 -48.34 82.09 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.216 -0.928 . . . . 1.78 109.709 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' D' ' 344' ' ' LEU . 71.3 mt -61.93 -33.31 74.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.296 -0.878 . . . . 0.38 108.788 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.526 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.8 t-20 -59.81 -56.12 25.75 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.44 -0.788 . . . . 1.2 109.66 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.455 ' HB3' ' HE2' ' D' ' 351' ' ' LYS . 15.4 tt0 -63.58 -30.55 71.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.394 -0.816 . . . . 2.12 109.917 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.0 -55.35 33.87 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.287 -0.883 . . . . 0.26 109.971 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.75 -33.6 73.18 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.351 -0.843 . . . . 0.4 109.533 -179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -64.5 -40.06 94.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.181 -0.949 . . . . 2.09 109.713 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.685 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.3 tt -64.42 -49.61 70.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.338 -0.851 . . . . 0.75 109.681 -179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -39.31 86.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.305 -0.872 . . . . 2.19 108.865 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.63 -33.07 67.87 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-O 121.355 0.598 . . . . 1.34 109.538 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.36 88.58 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.261 -0.899 . . . . 0.72 109.128 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.644 ' NE2' HD11 ' D' ' 350' ' ' LEU . 9.1 mt-30 -83.48 -15.03 51.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.38 -0.825 . . . . 1.8 109.323 179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -91.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.16 -0.963 . . . . 1.39 109.086 179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.13 107.0 2.94 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.089 -1.605 . . . . 1.66 109.089 179.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.49 148.76 26.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.3 -1.118 . . . . 4.45 109.541 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.569 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.8 mt-10 -49.09 -55.62 19.98 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 6.19 109.694 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 3.2 Cg_exo -60.97 153.58 62.74 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.03 1.82 . . . . 5.58 110.134 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.986 -1.452 . . . . 6.9 109.526 -179.946 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.46 -0.57 . . . . 7.36 109.46 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 321' ' ' LYS . 14.4 mttp 58.16 24.04 10.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.184 -0.948 . . . . 7.15 109.357 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 62.85 144.1 0.07 OUTLIER Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 6.5 109.518 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 -168.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.192 1.928 . . . . 4.5 110.225 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.72 157.47 27.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 4.32 109.346 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -79.93 3.7 19.09 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.259 -0.901 . . . . 2.46 109.983 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.84 125.27 19.22 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.482 -1.447 . . . . 0.97 109.482 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.9 133.31 53.05 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.707 -0.878 . . . . 1.67 109.788 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.506 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 19.5 m-85 -94.92 154.87 17.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.21 -0.931 . . . . 0.61 108.958 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.6 m-85 -139.32 -172.88 3.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.015 . . . . 0.56 109.925 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.8 p -152.92 160.11 43.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.43 109.208 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.1 tp -149.85 131.32 14.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.101 -1.0 . . . . 0.35 109.661 -179.809 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.34 127.16 34.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.398 -0.814 . . . . 1.37 109.361 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.426 HD13 ' HB2' ' D' ' 341' ' ' PHE . 33.6 mt -124.05 112.58 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.182 -0.949 . . . . 0.48 109.817 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.0 OUTLIER -73.49 149.27 42.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -0.886 . . . . 2.08 109.378 179.772 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 104.54 131.9 7.28 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.588 -1.405 . . . . 0.4 109.588 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttt180 -73.98 -65.7 0.81 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.383 -1.069 . . . . 2.64 109.656 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.45 -39.05 82.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.873 . . . . 2.22 109.849 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -45.86 91.41 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.239 -0.913 . . . . 2.74 109.724 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' B' ' 329' ' ' THR . 44.0 t80 -55.15 -55.64 28.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.281 -0.887 . . . . 0.43 109.74 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -50.74 -33.87 24.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.25 -0.906 . . . . 1.69 109.963 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 18.5 ttp -62.45 -50.62 70.75 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.217 -0.927 . . . . 0.43 109.926 -179.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB2' HD13 ' D' ' 332' ' ' ILE . 18.2 m-85 -61.01 -48.62 80.98 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.27 109.146 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -51.49 -38.2 52.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 2.45 109.591 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -59.83 -48.38 81.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.162 -0.961 . . . . 1.75 109.658 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.042 HD22 HD22 ' C' ' 344' ' ' LEU . 70.8 mt -61.9 -33.26 73.9 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.244 -0.91 . . . . 0.31 108.765 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.548 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.8 t-20 -59.84 -56.21 24.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.459 -0.775 . . . . 1.22 109.633 179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -63.52 -30.59 71.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.352 -0.842 . . . . 1.73 109.895 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.419 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.98 -55.47 32.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.311 -0.868 . . . . 0.28 109.888 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.82 -33.37 72.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.321 -0.862 . . . . 0.31 109.626 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -64.49 -40.13 95.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.267 -0.895 . . . . 1.91 109.753 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.644 HD11 ' NE2' ' C' ' 354' ' ' GLN . 1.3 tt -64.47 -49.55 70.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.336 -0.852 . . . . 0.43 109.65 -179.421 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' C' ' 346' ' ' GLU . 0.2 OUTLIER -60.26 -39.27 86.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.224 -0.922 . . . . 1.57 108.891 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.53 -33.03 67.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.79 -0.569 . . . . 1.44 109.584 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.35 88.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.322 -0.862 . . . . 0.64 109.139 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.685 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.2 mt-30 -83.49 -14.94 51.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.391 -0.818 . . . . 1.21 109.307 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.23 -91.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 1.22 109.091 179.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.03 106.9 2.92 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.142 -1.583 . . . . 1.5 109.142 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -84.48 148.71 26.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.229 -1.159 . . . . 4.18 109.489 -179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.566 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.8 mt-10 -49.11 -55.65 19.88 Favored Pre-proline 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.933 . . . . 5.67 109.702 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 3.1 Cg_exo -60.96 153.65 62.27 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 121.849 1.699 . . . . 5.65 110.112 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.89 -1.506 . . . . 7.27 109.515 -179.926 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.31 0.576 . . . . 7.33 109.494 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.98 -90.13 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 7.21 109.589 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.84 86.44 0.15 Allowed Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.173 -0.954 . . . . 6.47 109.304 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.79 -56.63 0.72 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.202 1.935 . . . . 4.53 110.596 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.23 100.14 8.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 4.35 109.828 -179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.85 -152.65 0.11 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.45 -0.782 . . . . 2.48 109.221 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.49 169.2 41.3 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.355 -1.498 . . . . 0.98 109.355 179.641 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.7 131.71 51.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -1.233 . . . . 1.7 109.442 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 11.0 m-85 -93.7 155.25 17.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.117 -0.989 . . . . 0.61 109.582 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.3 -169.95 2.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.273 -0.892 . . . . 0.58 109.542 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.433 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 30.3 p -153.2 157.22 39.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.42 109.432 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.0 tp -148.7 133.19 17.65 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -0.922 . . . . 0.36 109.602 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 23.2 tt0 -85.83 127.86 34.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 1.37 109.121 179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 65.5 mt -123.85 114.32 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -0.948 . . . . 0.47 109.797 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.479 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.6 OUTLIER -74.13 149.51 40.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 2.1 109.358 179.64 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.79 133.61 7.52 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.751 -1.34 . . . . 0.42 109.751 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.9 ttt180 -78.58 -58.21 3.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 2.68 109.582 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.72 86.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 2.22 109.629 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 2.3 ttm180 -60.63 -41.4 94.8 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.285 -0.884 . . . . 2.77 109.558 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' C' ' 329' ' ' THR . 59.0 t80 -55.57 -56.07 24.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.324 -0.86 . . . . 0.43 109.943 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.28 -37.13 45.72 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 1.66 110.173 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.42 -47.77 80.56 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.177 -0.952 . . . . 0.44 110.307 -179.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.44 64.89 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.945 . . . . 0.29 109.415 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.78 -39.63 53.02 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.436 -0.79 . . . . 2.44 109.736 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.72 -43.26 94.25 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.885 . . . . 1.74 109.999 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' B' ' 344' ' ' LEU . 75.0 mt -62.19 -43.46 98.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.3 109.531 -179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -58.13 -48.09 81.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 1.22 109.876 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.86 -34.34 75.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.22 -0.925 . . . . 1.72 109.844 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.46 -49.07 79.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.27 110.007 -179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 55.2 mt -61.47 -41.92 97.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.302 -0.874 . . . . 0.29 109.731 -179.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.79 -38.52 78.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 1.91 109.495 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.424 HD11 ' NE2' ' B' ' 354' ' ' GLN . 13.3 tp -63.79 -42.79 97.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.326 -0.859 . . . . 0.41 109.795 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.64 -40.06 93.54 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.387 -0.82 . . . . 1.56 109.198 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.15 -35.41 67.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.469 -0.769 . . . . 1.43 109.588 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -49.76 63.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.66 109.57 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.494 ' NE2' HD11 ' B' ' 350' ' ' LEU . 1.1 mt-30 -80.93 0.8 33.77 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.296 -0.877 . . . . 1.18 109.753 -179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.2 -82.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.126 -0.984 . . . . 1.23 109.172 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.44 92.48 1.08 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.342 -1.503 . . . . 1.54 109.342 179.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 123.21 32.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.282 -1.128 . . . . 4.18 109.555 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.08 158.93 1.11 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 5.71 109.471 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.74 135.16 54.56 Favored 'Trans proline' 0 C--N 1.311 -1.422 0 C-N-CA 122.225 1.95 . . . . 5.61 110.235 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.94 -1.478 . . . . 7.24 109.564 179.916 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.311 0.577 . . . . 7.34 109.546 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 58.91 -90.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.296 -0.877 . . . . 7.17 109.662 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.81 86.39 0.15 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.207 -0.933 . . . . 6.44 109.37 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.7 -56.75 0.7 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.166 1.911 . . . . 4.54 110.528 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.16 100.14 8.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.298 -0.876 . . . . 4.32 109.876 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.89 -152.95 0.12 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.392 -0.818 . . . . 2.47 109.157 179.612 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.27 169.32 40.24 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.37 -1.492 . . . . 0.95 109.37 179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 131.73 51.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -1.153 . . . . 1.61 109.37 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 10.9 m-85 -93.82 155.18 17.34 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.57 109.498 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -139.16 -169.9 2.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.277 -0.889 . . . . 0.53 109.533 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 30.1 p -153.18 157.03 39.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.214 -0.929 . . . . 0.38 109.416 -179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.53 133.22 17.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.89 . . . . 0.36 109.662 -179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.85 127.8 34.66 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.862 . . . . 1.36 109.135 179.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 65.2 mt -123.86 114.36 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.49 109.768 -179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.476 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.6 OUTLIER -74.14 149.3 41.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 2.1 109.418 179.664 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.9 133.33 7.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.776 -1.329 . . . . 0.44 109.776 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.9 ttt180 -78.15 -58.39 3.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.334 -1.097 . . . . 2.72 109.644 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -58.06 -42.66 85.93 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.157 -0.965 . . . . 2.21 109.663 -179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -60.63 -41.43 94.86 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.334 -0.854 . . . . 2.79 109.565 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' D' ' 329' ' ' THR . 58.6 t80 -55.58 -56.08 24.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.41 -0.806 . . . . 0.45 109.91 -179.824 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.38 -37.08 46.26 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.377 -0.827 . . . . 1.68 110.141 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.78 80.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.255 -0.903 . . . . 0.43 110.291 -179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.04 -52.55 64.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 0.28 109.342 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -50.75 -39.71 52.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.864 . . . . 2.52 109.625 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.63 -43.33 93.87 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.35 -0.844 . . . . 1.75 109.97 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.476 HD22 HD22 ' A' ' 344' ' ' LEU . 75.3 mt -62.09 -43.49 98.72 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.174 -0.954 . . . . 0.31 109.567 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.12 -48.16 81.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 1.21 109.921 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.87 -34.24 75.65 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.311 -0.868 . . . . 1.69 109.84 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 1.015 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.46 -49.06 79.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.27 109.977 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 55.6 mt -61.51 -41.88 97.96 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.26 -0.9 . . . . 0.3 109.665 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.92 -38.43 78.95 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.93 109.422 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.494 HD11 ' NE2' ' A' ' 354' ' ' GLN . 13.4 tp -63.82 -42.85 97.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.276 -0.89 . . . . 0.4 109.725 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.13 93.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.373 -0.829 . . . . 1.59 109.14 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.06 -35.42 66.93 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.585 -0.697 . . . . 1.43 109.723 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.63 63.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.264 -0.897 . . . . 0.65 109.598 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.424 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.1 mt-30 -80.92 0.74 34.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.19 109.821 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 -82.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.167 -0.958 . . . . 1.22 109.32 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.62 92.54 1.1 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.331 -1.508 . . . . 1.53 109.331 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 123.08 32.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 4.21 109.571 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.92 158.85 1.07 Allowed Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.186 -0.947 . . . . 5.68 109.58 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.86 135.14 53.97 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.211 1.94 . . . . 5.57 110.195 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.918 -1.49 . . . . 7.2 109.552 179.951 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.295 0.569 . . . . 8.96 109.518 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.87 -90.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 8.15 109.644 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.75 86.35 0.16 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.938 . . . . 7.15 109.41 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.65 -56.75 0.7 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.276 1.984 . . . . 4.35 110.578 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.14 100.1 8.08 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.214 -0.929 . . . . 4.63 109.882 -179.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.91 -152.76 0.12 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.497 -0.752 . . . . 2.85 109.203 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.439 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.34 169.24 40.64 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.367 -1.493 . . . . 1.12 109.367 179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.77 131.62 51.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.171 -1.194 . . . . 2.11 109.478 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 11.2 m-85 -93.69 155.33 17.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.238 -0.914 . . . . 0.64 109.481 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.7 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 0.49 109.479 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.446 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 30.2 p -153.19 157.2 39.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.233 -0.917 . . . . 0.47 109.382 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.62 133.21 17.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 0.42 109.661 -179.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 23.3 tt0 -85.82 127.76 34.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.198 -0.939 . . . . 1.81 109.236 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 65.0 mt -123.82 114.24 40.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.42 109.804 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.6 OUTLIER -74.06 149.45 41.16 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.388 -0.82 . . . . 2.35 109.379 179.656 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.85 133.7 7.58 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.659 -1.376 . . . . 0.41 109.659 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.9 ttt180 -78.61 -58.26 3.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -1.097 . . . . 2.59 109.593 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.12 -42.67 86.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.377 -0.827 . . . . 2.54 109.661 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.52 -41.54 94.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.26 -0.9 . . . . 3.39 109.597 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.433 ' CE1' ' O ' ' A' ' 329' ' ' THR . 59.1 t80 -55.53 -56.02 25.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.445 -0.784 . . . . 0.47 109.952 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.41 -37.07 46.54 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.298 -0.876 . . . . 1.66 110.082 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -63.51 -47.7 80.62 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.112 -0.993 . . . . 0.61 110.274 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -61.02 -52.46 64.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.33 109.453 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -50.82 -39.6 53.58 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.317 -0.865 . . . . 3.28 109.702 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.76 -43.39 94.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.182 -0.949 . . . . 1.78 109.897 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' D' ' 344' ' ' LEU . 74.8 mt -62.11 -43.48 98.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 0.38 109.512 -179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -58.07 -48.18 80.92 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 1.2 109.91 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.88 -34.28 75.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 2.12 109.829 -179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.47 -48.95 79.66 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.307 -0.871 . . . . 0.26 110.044 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 55.7 mt -61.6 -41.85 98.03 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.328 -0.857 . . . . 0.4 109.692 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -58.83 -38.42 78.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.27 -0.894 . . . . 2.09 109.533 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 13.4 tp -63.9 -42.85 97.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.21 -0.931 . . . . 0.75 109.699 -179.854 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.56 -40.03 93.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.858 . . . . 2.19 109.212 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.12 -35.42 67.07 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.375 -0.828 . . . . 1.34 109.754 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.32 -49.63 63.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.268 -0.895 . . . . 0.72 109.632 -179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.516 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.1 mt-30 -81.01 0.81 34.01 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.238 -0.914 . . . . 1.8 109.739 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.11 -82.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.197 -0.939 . . . . 1.39 109.247 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.56 92.53 1.1 Allowed Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.327 -1.509 . . . . 1.66 109.327 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 123.09 32.16 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.298 -1.119 . . . . 4.45 109.555 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.04 158.88 1.1 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.138 -0.976 . . . . 6.19 109.495 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.96 135.07 53.21 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.213 1.942 . . . . 5.58 110.215 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.994 -1.448 . . . . 6.9 109.54 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.275 0.559 . . . . 7.36 109.58 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 58.77 -90.06 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.885 . . . . 7.15 109.629 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.81 86.44 0.15 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.193 -0.942 . . . . 6.5 109.316 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.64 -56.77 0.7 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.245 1.964 . . . . 4.5 110.622 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 26.6 mt -80.16 100.03 8.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 4.32 109.89 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.84 -152.7 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.306 -0.871 . . . . 2.46 109.215 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.39 169.52 40.32 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.286 -1.526 . . . . 0.97 109.286 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.06 131.79 52.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.174 -1.192 . . . . 1.67 109.394 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 10.9 m-85 -93.85 155.24 17.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.462 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -139.29 -169.93 2.78 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.267 -0.896 . . . . 0.56 109.548 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.519 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 30.2 p -153.14 156.94 39.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.233 -0.917 . . . . 0.43 109.501 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.43 133.22 17.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.371 -0.831 . . . . 0.35 109.681 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -85.79 127.75 34.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 1.37 109.184 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 64.8 mt -123.69 114.38 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 0.48 109.844 -179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.6 OUTLIER -74.27 149.42 40.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.333 -0.855 . . . . 2.08 109.304 179.733 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.8 133.65 7.54 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.753 -1.339 . . . . 0.4 109.753 179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.9 ttt180 -78.5 -58.27 3.34 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -1.159 . . . . 2.64 109.624 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -58.18 -42.58 86.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.32 -0.862 . . . . 2.22 109.625 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -60.7 -41.52 95.36 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.291 -0.88 . . . . 2.74 109.522 -179.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 58.8 t80 -55.51 -56.05 24.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.409 -0.807 . . . . 0.43 109.977 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -51.31 -37.17 46.14 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.304 -0.873 . . . . 1.69 110.078 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -63.44 -47.68 80.86 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.141 -0.975 . . . . 0.43 110.279 -179.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.1 -52.47 64.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.944 . . . . 0.27 109.417 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -50.7 -39.72 52.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.319 -0.863 . . . . 2.45 109.707 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.74 -43.25 94.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 1.75 109.991 -179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.474 HD22 HD22 ' C' ' 344' ' ' LEU . 75.0 mt -62.14 -43.47 98.76 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.187 -0.946 . . . . 0.31 109.541 -179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -58.18 -48.07 81.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.303 -0.873 . . . . 1.22 109.948 -179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.81 -34.38 75.81 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.941 . . . . 1.73 109.821 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.915 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.47 -49.02 79.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 0.28 109.935 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.6 mt -61.58 -41.9 98.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.31 109.611 -179.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.75 -38.55 78.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 1.91 109.501 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.516 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.4 tp -63.8 -42.76 97.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.315 -0.866 . . . . 0.43 109.722 -179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 11.9 ttmm -61.75 -39.96 93.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -0.829 . . . . 1.57 109.105 -179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.16 -35.55 67.3 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.52 -0.737 . . . . 1.44 109.587 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -49.63 63.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.298 -0.876 . . . . 0.64 109.687 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.02 0.91 33.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.344 -0.847 . . . . 1.21 109.73 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.31 -82.12 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.072 -1.018 . . . . 1.22 109.2 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.53 92.53 1.09 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.296 -1.522 . . . . 1.5 109.296 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 123.12 32.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -1.154 . . . . 4.18 109.55 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.04 158.93 1.09 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.202 -0.936 . . . . 5.67 109.535 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.87 135.06 53.48 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.271 1.981 . . . . 5.65 110.18 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 CA-C-O 117.992 -1.449 . . . . 7.27 109.565 179.905 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.268 0.556 . . . . 7.33 109.516 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 25.3 mttt 59.68 80.19 0.21 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 7.21 109.586 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.23 72.16 0.59 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.202 -0.936 . . . . 6.47 109.773 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 119.74 6.98 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.189 1.926 . . . . 4.53 110.06 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.9 mt -81.27 112.39 18.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 4.35 109.611 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.77 -147.84 0.06 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 2.48 109.391 179.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.3 173.66 32.19 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.593 -1.403 . . . . 0.98 109.593 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.9 134.18 56.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.286 -1.126 . . . . 1.7 109.561 -179.84 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -95.37 161.22 14.17 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.287 -0.883 . . . . 0.61 109.457 179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.04 -168.72 2.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.169 -0.957 . . . . 0.58 109.709 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.404 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 9.3 p -152.16 160.55 43.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.42 109.411 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.428 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.6 tp -148.72 129.87 14.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.273 -0.892 . . . . 0.36 109.438 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 41.9 tt0 -86.41 129.64 34.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.332 -0.855 . . . . 1.37 109.348 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 341' ' ' PHE . 49.3 mt -123.76 116.68 48.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.216 -0.928 . . . . 0.47 109.43 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.34 148.87 43.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.231 -0.918 . . . . 2.1 109.595 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.5 133.53 5.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.601 -1.399 . . . . 0.42 109.601 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 49.3 ttt180 -79.27 -52.34 8.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.309 -1.112 . . . . 2.68 109.496 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.12 -44.09 91.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 2.22 109.672 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.762 HH12 HD22 ' C' ' 348' ' ' LEU . 8.7 tpp180 -62.46 -44.04 97.36 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.216 -0.928 . . . . 2.77 109.341 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -55.2 -48.86 73.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.362 -0.836 . . . . 0.43 109.51 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.25 42.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.336 -0.852 . . . . 1.66 109.653 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.481 ' SD ' ' CG ' ' D' ' 340' ' ' MET . 14.3 ttp -61.86 -47.41 85.14 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.178 -0.951 . . . . 0.44 109.826 -179.641 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.472 ' CD2' HD13 ' A' ' 332' ' ' ILE . 24.2 m-85 -61.41 -50.96 70.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 0.29 109.308 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.28 -36.53 42.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.414 -0.804 . . . . 2.44 109.716 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.2 -51.04 71.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.16 -0.962 . . . . 1.74 109.776 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' B' ' 344' ' ' LEU . 21.3 mt -61.06 -32.97 72.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.3 108.947 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.6 t-20 -60.4 -53.09 61.75 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.393 -0.817 . . . . 1.22 109.76 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -63.15 -36.85 84.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.377 -0.827 . . . . 1.72 110.157 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.79 -53.36 58.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.27 110.218 -179.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.812 HD22 HH12 ' C' ' 337' ' ' ARG . 66.4 mt -60.77 -40.74 93.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.29 109.82 -179.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.06 -35.42 76.9 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.288 -0.883 . . . . 1.91 109.83 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.593 HD21 ' NE2' ' B' ' 354' ' ' GLN . 13.1 tp -64.02 -45.95 86.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 0.41 109.677 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.53 -48.13 80.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.313 -0.867 . . . . 1.56 109.272 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -31.33 65.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.474 -0.766 . . . . 1.43 109.536 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.75 80.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 0.66 109.627 -179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.694 ' NE2' HD21 ' B' ' 350' ' ' LEU . 62.3 mt-30 -84.81 -17.14 39.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.149 -0.97 . . . . 1.18 109.614 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.88 -12.24 60.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.177 -0.952 . . . . 1.23 109.417 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.12 -55.4 2.51 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.886 -1.286 . . . . 1.54 109.886 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.32 102.08 13.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 4.18 109.924 -179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.513 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 0.9 OUTLIER -51.52 172.6 0.15 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.254 -0.904 . . . . 5.71 109.244 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 2.8 Cg_endo -61.24 138.63 78.61 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.154 1.903 . . . . 5.61 110.173 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 118.043 -1.421 . . . . 7.24 109.589 179.961 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.511 -0.551 . . . . 7.34 109.511 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 59.66 80.39 0.2 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 7.17 109.503 179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.01 72.28 0.59 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.235 -0.915 . . . . 6.44 109.765 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.29 119.86 7.15 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.135 1.89 . . . . 4.54 110.021 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.2 112.38 18.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.163 -0.96 . . . . 4.32 109.656 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 4.3 m-20 -80.87 -147.94 0.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.3 -0.875 . . . . 2.47 109.362 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.19 173.52 32.04 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.526 -1.43 . . . . 0.95 109.526 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.72 134.02 56.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.303 -1.116 . . . . 1.61 109.664 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.25 161.3 14.16 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.57 109.47 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.531 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.3 m-85 -140.11 -168.76 2.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.53 109.606 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.439 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 9.4 p -152.22 160.35 43.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.332 -0.855 . . . . 0.38 109.472 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.6 tp -148.54 129.86 14.71 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.36 109.518 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.39 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.374 -0.829 . . . . 1.36 109.348 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' B' ' 341' ' ' PHE . 49.1 mt -123.82 116.7 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.49 109.44 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 148.93 42.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.302 -0.873 . . . . 2.1 109.62 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.33 133.5 5.83 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.664 -1.374 . . . . 0.44 109.664 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 49.1 ttt180 -79.19 -52.5 8.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -1.141 . . . . 2.72 109.424 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.08 -44.06 91.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.319 -0.863 . . . . 2.21 109.739 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 8.7 tpp180 -62.41 -44.05 97.37 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.273 -0.892 . . . . 2.79 109.381 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.28 -48.79 73.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.373 -0.829 . . . . 0.45 109.527 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -51.39 -36.21 42.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.346 -0.846 . . . . 1.68 109.68 -179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 14.3 ttp -61.95 -47.34 85.3 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.43 109.86 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -61.32 -51.03 70.57 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.216 -0.927 . . . . 0.28 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.25 -36.63 42.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 2.52 109.664 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -60.13 -51.16 70.78 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.095 -1.003 . . . . 1.75 109.711 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.767 HD22 HD22 ' A' ' 344' ' ' LEU . 21.2 mt -60.99 -32.84 72.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 0.31 108.99 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.415 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -60.57 -53.03 62.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.478 -0.764 . . . . 1.21 109.772 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.0 -36.99 85.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 1.69 110.178 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.685 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.73 -53.45 57.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.27 110.175 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.774 HD22 HH12 ' D' ' 337' ' ' ARG . 66.1 mt -60.75 -40.73 93.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.178 -0.951 . . . . 0.3 109.778 -179.559 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -61.06 -35.51 77.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.206 -0.934 . . . . 1.93 109.772 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.694 HD21 ' NE2' ' A' ' 354' ' ' GLN . 13.1 tp -63.91 -46.02 86.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.264 -0.898 . . . . 0.4 109.68 -179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.52 -48.21 80.56 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 1.59 109.231 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.17 -31.19 65.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.605 -0.684 . . . . 1.43 109.541 179.782 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.71 80.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.314 -0.867 . . . . 0.65 109.686 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.593 ' NE2' HD21 ' A' ' 350' ' ' LEU . 62.2 mt-30 -84.84 -17.16 38.89 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.249 -0.907 . . . . 1.19 109.643 -179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.93 -12.12 60.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.181 -0.949 . . . . 1.22 109.403 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 -55.47 2.49 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.905 -1.278 . . . . 1.53 109.905 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 mtmm -86.23 102.01 13.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -1.124 . . . . 4.21 110.016 -179.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.505 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 0.9 OUTLIER -51.47 172.62 0.14 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.317 -0.865 . . . . 5.68 109.217 179.594 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 3.0 Cg_endo -61.29 138.67 78.55 Favored 'Trans proline' 0 C--N 1.309 -1.505 0 C-N-CA 122.119 1.879 . . . . 5.57 110.031 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 118.008 -1.44 . . . . 7.2 109.572 179.923 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.369 0.604 . . . . 8.96 109.428 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.59 80.29 0.2 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.093 -1.004 . . . . 8.15 109.566 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.21 72.18 0.59 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.337 -0.852 . . . . 7.15 109.738 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.34 119.87 7.17 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.118 1.879 . . . . 4.35 110.082 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -81.3 112.45 18.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.257 -0.902 . . . . 4.63 109.591 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 4.3 m-20 -80.83 -147.84 0.06 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.159 -0.963 . . . . 2.85 109.405 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.31 173.65 32.25 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.52 -1.432 . . . . 1.12 109.52 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.92 134.12 56.66 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -1.163 . . . . 2.11 109.617 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -95.33 161.31 14.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.322 -0.861 . . . . 0.64 109.339 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.9 m-85 -140.13 -168.74 2.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.176 -0.952 . . . . 0.49 109.618 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 9.2 p -152.23 160.6 43.33 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.47 109.363 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.5 tp -148.71 129.83 14.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 0.42 109.466 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -86.42 129.57 34.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 1.81 109.383 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' C' ' 341' ' ' PHE . 49.7 mt -123.72 116.73 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.226 -0.921 . . . . 0.42 109.337 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.3 148.89 43.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.197 -0.939 . . . . 2.35 109.557 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.44 133.49 5.87 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.601 -1.4 . . . . 0.41 109.601 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.527 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 49.2 ttt180 -79.22 -52.4 8.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -1.146 . . . . 2.59 109.494 179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -59.06 -44.13 91.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.405 -0.81 . . . . 2.54 109.64 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.812 HH12 HD22 ' A' ' 348' ' ' LEU . 8.8 tpp180 -62.36 -44.11 97.23 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.855 . . . . 3.39 109.317 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' ' O ' ' A' ' 329' ' ' THR . 64.7 t80 -55.16 -48.89 73.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -0.829 . . . . 0.47 109.516 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.53 -36.01 43.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.413 -0.804 . . . . 1.66 109.697 -179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 14.4 ttp -62.07 -47.28 85.38 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.206 -0.934 . . . . 0.61 109.79 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.0 m-85 -61.43 -51.01 70.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.168 -0.957 . . . . 0.33 109.249 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.19 -36.62 42.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.306 -0.871 . . . . 3.28 109.766 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.19 -51.07 71.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 1.78 109.73 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' D' ' 344' ' ' LEU . 21.5 mt -61.11 -32.83 72.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.151 -0.968 . . . . 0.38 108.898 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -60.62 -52.92 63.12 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.435 -0.791 . . . . 1.2 109.722 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.21 -36.86 85.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.378 -0.826 . . . . 2.12 110.176 -179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.82 -53.42 58.16 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.26 110.139 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.762 HD22 HH12 ' A' ' 337' ' ' ARG . 66.4 mt -60.69 -40.8 93.53 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.208 -0.932 . . . . 0.4 109.748 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.04 -35.44 76.89 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.251 -0.906 . . . . 2.09 109.905 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.668 HD21 ' NE2' ' D' ' 354' ' ' GLN . 13.1 tp -63.97 -45.97 86.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.173 -0.954 . . . . 0.75 109.735 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 18.1 ttmm -62.46 -48.28 80.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.359 -0.838 . . . . 2.19 109.156 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -31.21 65.08 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.515 -0.741 . . . . 1.34 109.478 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.67 80.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.403 -0.811 . . . . 0.72 109.636 -179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.674 HE22 HD11 ' D' ' 350' ' ' LEU . 62.1 mt-30 -84.89 -17.14 38.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.16 -0.962 . . . . 1.8 109.643 -179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.86 -12.13 60.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.142 -0.974 . . . . 1.39 109.426 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.32 -55.26 2.51 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.835 -1.306 . . . . 1.66 109.835 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.37 102.2 13.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.324 -1.104 . . . . 4.45 109.971 -179.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.512 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 0.9 OUTLIER -51.57 172.62 0.15 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 6.19 109.247 179.597 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.512 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 2.8 Cg_endo -61.24 138.64 78.63 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.185 1.923 . . . . 5.58 110.169 179.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 118.005 -1.442 . . . . 6.9 109.571 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.446 -0.575 . . . . 7.36 109.446 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 25.2 mttt 59.52 80.42 0.2 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.339 -0.85 . . . . 7.15 109.6 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 63.09 72.22 0.59 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 6.5 109.723 179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.24 119.75 7.0 Favored 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.245 1.963 . . . . 4.5 110.062 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.8 mt -81.24 112.4 18.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 4.32 109.592 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' D' ' 324' ' ' ASP . 4.2 m-20 -80.84 -147.86 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.206 -0.934 . . . . 2.46 109.463 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 173.65 32.13 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.537 -1.425 . . . . 0.97 109.537 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.82 134.12 56.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -1.112 . . . . 1.67 109.587 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -95.3 161.27 14.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -0.89 . . . . 0.61 109.381 179.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.7 m-85 -140.06 -168.66 2.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.221 -0.924 . . . . 0.56 109.662 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 9.6 p -152.33 160.45 43.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.236 -0.915 . . . . 0.43 109.468 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.7 tp -148.55 129.88 14.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.35 109.41 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -86.34 129.66 34.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.905 . . . . 1.37 109.282 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' D' ' 341' ' ' PHE . 48.5 mt -123.78 116.62 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 0.48 109.475 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 148.91 43.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.08 109.567 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.34 133.55 5.85 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.731 -1.348 . . . . 0.4 109.731 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.531 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 49.1 ttt180 -79.26 -52.44 8.13 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -1.108 . . . . 2.64 109.417 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.03 -44.14 91.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 2.22 109.708 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.774 HH12 HD22 ' B' ' 348' ' ' LEU . 8.7 tpp180 -62.36 -44.16 97.13 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.401 -0.812 . . . . 2.74 109.324 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' B' ' 329' ' ' THR . 64.3 t80 -55.23 -48.73 73.5 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.366 -0.834 . . . . 0.43 109.597 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -51.4 -36.19 42.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.327 -0.858 . . . . 1.69 109.701 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.481 ' CG ' ' SD ' ' A' ' 340' ' ' MET . 14.3 ttp -62.06 -47.29 85.35 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.223 -0.923 . . . . 0.43 109.867 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' D' ' 332' ' ' ILE . 24.4 m-85 -61.34 -50.96 70.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.847 . . . . 0.27 109.377 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -51.24 -36.66 42.95 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.367 -0.833 . . . . 2.45 109.664 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -60.23 -50.99 71.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.178 -0.951 . . . . 1.75 109.715 -179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.817 HD22 HD22 ' C' ' 344' ' ' LEU . 21.3 mt -61.15 -32.79 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.221 -0.924 . . . . 0.31 108.968 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.7 t-20 -60.49 -53.12 61.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.41 -0.806 . . . . 1.22 109.765 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.41 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 38.1 mt-10 -63.04 -36.96 85.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.313 -0.867 . . . . 1.73 110.109 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.8 -53.43 58.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.088 -1.008 . . . . 0.28 110.112 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 66.8 mt -60.78 -40.73 93.64 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.262 -0.899 . . . . 0.31 109.692 -179.492 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -61.14 -35.39 76.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.912 . . . . 1.91 109.821 -179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.674 HD11 HE22 ' C' ' 354' ' ' GLN . 13.1 tp -63.97 -45.95 86.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.184 -0.947 . . . . 0.43 109.725 -179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -62.62 -48.19 80.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.311 -0.868 . . . . 1.57 109.14 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.09 -31.27 65.08 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.546 -0.721 . . . . 1.44 109.501 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -35.67 80.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.32 -0.863 . . . . 0.64 109.674 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.668 ' NE2' HD21 ' C' ' 350' ' ' LEU . 62.2 mt-30 -84.86 -17.15 38.88 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.184 -0.947 . . . . 1.21 109.586 -179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.01 -12.0 60.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.129 -0.982 . . . . 1.22 109.385 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.31 -55.28 2.51 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.848 -1.301 . . . . 1.5 109.848 -179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -86.39 102.18 13.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -1.137 . . . . 4.18 109.927 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.512 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 0.9 OUTLIER -51.54 172.62 0.15 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 5.67 109.236 179.552 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.512 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -61.31 138.54 77.6 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.116 1.878 . . . . 5.65 110.199 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 CA-C-O 118.025 -1.431 . . . . 7.27 109.564 -179.995 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.304 0.574 . . . . 7.33 109.528 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 16.3 mttt 63.86 23.71 13.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 7.21 109.721 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.477 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 1.3 mttp 62.28 63.32 1.99 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 6.47 109.949 179.638 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -64.57 93.63 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.015 1.81 . . . . 4.53 109.88 179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.89 100.66 8.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.179 -0.95 . . . . 4.35 109.915 -179.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.8 -164.44 0.86 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.318 -0.864 . . . . 2.48 109.238 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.37 174.2 35.12 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.259 -1.536 . . . . 0.98 109.259 179.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.41 134.59 56.76 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.105 -1.232 . . . . 1.7 109.289 179.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -92.59 153.43 19.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -0.92 . . . . 0.61 109.574 -179.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.7 m-85 -137.76 -163.39 1.43 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.293 -0.879 . . . . 0.58 109.262 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 328' ' ' PHE . 20.0 p -154.98 156.61 36.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.119 -0.988 . . . . 0.42 109.672 -179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.9 tp -147.36 129.76 15.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.304 -0.872 . . . . 0.36 109.299 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -86.43 134.78 33.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.37 109.753 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.64 115.47 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.335 -0.853 . . . . 0.47 109.332 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.73 147.34 43.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 2.1 109.76 -179.857 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 91.88 136.88 7.41 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.737 -1.345 . . . . 0.42 109.737 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.7 ttm180 -73.59 -53.14 11.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.324 -1.104 . . . . 2.68 109.389 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -57.93 -42.13 84.18 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.308 -0.87 . . . . 2.22 109.172 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.36 -46.97 82.78 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.409 -0.807 . . . . 2.77 109.755 -179.841 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.601 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.7 t80 -55.41 -55.79 27.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.46 -0.775 . . . . 0.43 109.747 -179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -50.85 -36.51 38.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.229 -0.919 . . . . 1.66 110.002 -179.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.4 -51.79 64.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.181 -0.949 . . . . 0.44 110.393 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' A' ' 332' ' ' ILE . 26.4 m-85 -60.76 -53.4 57.78 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.109 -0.994 . . . . 0.29 109.436 -179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.466 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.3 OUTLIER -50.16 -34.77 23.58 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.422 -0.799 . . . . 2.44 109.835 179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -50.89 71.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.946 -1.096 . . . . 1.74 109.758 -179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' B' ' 344' ' ' LEU . 62.8 mt -61.64 -33.6 74.23 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.231 -0.918 . . . . 0.3 109.039 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.571 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.8 t-20 -60.49 -54.59 43.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.388 -0.82 . . . . 1.22 109.908 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -63.82 -33.32 75.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.344 -0.847 . . . . 1.72 110.089 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -54.11 49.03 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.27 109.838 -179.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.21 -41.6 97.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.323 -0.861 . . . . 0.29 109.423 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.6 -33.01 72.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 1.91 109.383 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.788 HD11 HE22 ' B' ' 354' ' ' GLN . 14.0 tp -64.7 -46.11 83.73 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.25 -0.906 . . . . 0.41 109.45 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.476 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 6.3 ttmm -61.55 -44.28 97.33 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.34 -0.85 . . . . 1.56 108.956 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.95 -32.5 66.08 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.607 -0.683 . . . . 1.43 109.561 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -47.6 71.89 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.323 -0.861 . . . . 0.66 109.507 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.563 HE22 HD11 ' B' ' 350' ' ' LEU . 12.5 mt-30 -81.46 -1.62 46.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.371 -0.83 . . . . 1.18 109.576 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -80.31 0.05 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.239 -0.913 . . . . 1.23 109.578 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 49.83 4.25 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.631 -1.387 . . . . 1.54 109.631 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.439 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 12.9 tttt -87.09 120.08 27.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.136 -1.214 . . . . 4.18 109.447 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.16 106.63 0.63 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.341 -0.85 . . . . 5.71 109.514 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 1.8 Cg_endo -67.88 -3.03 9.7 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 C-N-CA 122.041 1.827 . . . . 5.61 110.788 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 CA-C-O 117.941 -1.477 . . . . 7.24 109.544 -179.852 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.456 ' CB ' ' HG3' ' B' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.25 0.548 . . . . 7.34 109.529 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 16.4 mttt 63.81 23.81 13.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 7.17 109.675 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 1.3 mttp 62.12 63.44 2.04 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.247 -0.908 . . . . 6.44 110.022 179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.52 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.096 1.864 . . . . 4.54 109.916 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 23.3 mt -80.77 100.78 8.95 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.223 -0.923 . . . . 4.32 109.882 -179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.84 -164.28 0.84 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.397 -0.814 . . . . 2.47 109.206 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.62 174.28 35.84 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.282 -1.527 . . . . 0.95 109.282 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 134.14 56.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.109 -1.23 . . . . 1.61 109.309 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.21 153.52 19.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.57 109.635 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.0 m-85 -137.78 -163.35 1.43 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.249 -0.907 . . . . 0.53 109.231 179.863 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.442 HG23 ' O ' ' B' ' 328' ' ' PHE . 20.3 p -154.91 156.58 36.37 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.97 . . . . 0.38 109.73 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.8 tp -147.33 129.74 15.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.288 -0.882 . . . . 0.36 109.312 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.27 134.84 33.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 1.36 109.802 -179.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.696 HD13 ' HB2' ' B' ' 341' ' ' PHE . 30.0 mt -123.71 115.57 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 0.49 109.346 179.635 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.89 147.34 43.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.774 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 91.95 136.79 7.4 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.769 -1.333 . . . . 0.44 109.769 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttm180 -73.63 -53.01 11.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 2.72 109.407 179.861 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -42.0 84.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.3 -0.875 . . . . 2.21 109.108 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.46 -46.94 83.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.519 -0.738 . . . . 2.79 109.832 -179.785 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.597 ' HD1' HD12 ' B' ' 332' ' ' ILE . 40.5 t80 -55.37 -55.76 27.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.356 -0.84 . . . . 0.45 109.828 -179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.73 -36.54 36.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.209 -0.932 . . . . 1.68 110.095 -179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.52 -51.71 64.33 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.248 -0.908 . . . . 0.43 110.386 -179.127 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.696 ' HB2' HD13 ' B' ' 332' ' ' ILE . 26.3 m-85 -60.82 -53.32 58.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.074 -1.016 . . . . 0.28 109.408 -179.646 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.457 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.3 OUTLIER -50.22 -34.8 24.14 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.493 -0.754 . . . . 2.52 109.841 179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.95 70.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.089 -1.007 . . . . 1.75 109.73 -179.647 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.728 HD22 HD22 ' A' ' 344' ' ' LEU . 62.5 mt -61.47 -33.75 74.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.256 -0.903 . . . . 0.31 109.024 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.553 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.9 t-20 -60.4 -54.56 44.08 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.443 -0.786 . . . . 1.21 110.001 179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.476 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 34.1 mm-40 -63.89 -33.42 75.66 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.41 -0.806 . . . . 1.69 110.081 -179.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.0 -53.99 50.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.236 -0.915 . . . . 0.27 109.852 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.403 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 16.2 mt -61.2 -41.74 97.36 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.329 -0.857 . . . . 0.3 109.388 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.41 -33.05 71.95 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.201 -0.937 . . . . 1.93 109.452 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.563 HD11 HE22 ' A' ' 354' ' ' GLN . 14.0 tp -64.8 -46.08 83.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.4 109.391 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.4 -44.39 97.23 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.376 -0.827 . . . . 1.59 108.97 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.52 65.95 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.68 -0.638 . . . . 1.43 109.578 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.63 71.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.406 -0.809 . . . . 0.65 109.499 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.788 HE22 HD11 ' A' ' 350' ' ' LEU . 12.6 mt-30 -81.45 -1.56 46.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 1.19 109.608 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -80.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.239 -0.913 . . . . 1.22 109.55 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.35 49.91 4.27 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.711 -1.356 . . . . 1.53 109.711 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 12.9 tttt -87.25 120.1 28.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.209 -1.171 . . . . 4.21 109.451 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.06 106.6 0.62 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.332 -0.855 . . . . 5.68 109.519 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 1.8 Cg_endo -67.92 -3.0 9.68 Favored 'Trans proline' 0 C--N 1.314 -1.282 0 C-N-CA 122.098 1.865 . . . . 5.57 110.752 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 118.026 -1.43 . . . . 7.2 109.54 -179.888 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.462 ' CB ' ' HG3' ' C' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.331 0.586 . . . . 8.96 109.52 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 16.3 mttt 63.93 23.73 13.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 8.15 109.613 179.782 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 1.3 mttp 62.23 63.4 2.0 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 7.15 109.889 179.641 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.58 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.133 1.888 . . . . 4.35 109.894 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 23.7 mt -80.91 100.65 9.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.228 -0.92 . . . . 4.63 109.86 -179.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -82.68 -164.47 0.86 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.424 -0.798 . . . . 2.85 109.222 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.49 174.26 35.44 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.266 -1.534 . . . . 1.12 109.266 179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.37 134.5 56.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.192 -1.181 . . . . 2.11 109.313 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -92.54 153.5 19.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.295 -0.878 . . . . 0.64 109.549 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.0 m-85 -137.77 -163.38 1.43 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.49 109.247 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.459 HG23 ' O ' ' C' ' 328' ' ' PHE . 20.4 p -154.93 156.65 36.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.47 109.66 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.0 tp -147.38 129.87 15.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.42 109.253 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.44 134.77 33.67 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 1.81 109.746 -179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.63 115.6 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.314 -0.866 . . . . 0.42 109.34 179.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.86 147.25 43.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.255 -0.903 . . . . 2.35 109.717 -179.807 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 91.89 136.85 7.4 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.824 -1.31 . . . . 0.41 109.824 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 21.8 ttm180 -73.59 -53.07 11.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.166 -1.196 . . . . 2.59 109.374 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -58.02 -41.99 84.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 2.54 109.182 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.482 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.45 -46.99 82.99 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.507 -0.746 . . . . 3.39 109.738 -179.802 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.615 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.5 t80 -55.34 -55.78 27.65 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.401 -0.812 . . . . 0.47 109.751 -179.784 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.88 -36.52 38.41 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 1.66 109.974 -179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.33 -51.82 64.41 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.091 -1.006 . . . . 0.61 110.38 -179.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.694 ' HB2' HD13 ' C' ' 332' ' ' ILE . 26.5 m-85 -60.84 -53.28 59.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.103 -0.998 . . . . 0.33 109.385 -179.569 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.451 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.31 -34.72 24.6 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.4 -0.813 . . . . 3.28 109.88 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -50.96 70.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.027 -1.046 . . . . 1.78 109.78 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' D' ' 344' ' ' LEU . 62.4 mt -61.49 -33.71 74.24 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.248 -0.908 . . . . 0.38 109.097 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.559 ' HB2' HD21 ' A' ' 330' ' ' LEU . 14.8 t-20 -60.41 -54.62 43.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.455 -0.778 . . . . 1.2 109.941 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.444 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 34.0 mm-40 -63.79 -33.41 75.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.269 -0.894 . . . . 2.12 110.07 -179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.14 -54.06 49.16 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.239 -0.913 . . . . 0.26 109.745 -179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.07 -41.76 97.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.311 -0.868 . . . . 0.4 109.511 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.53 -32.95 71.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.89 . . . . 2.09 109.457 179.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.541 HD11 HE22 ' D' ' 354' ' ' GLN . 14.0 tp -64.78 -46.03 83.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.75 109.457 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -61.58 -44.2 97.46 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.416 -0.802 . . . . 2.19 108.947 179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.97 -32.59 66.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.539 -0.726 . . . . 1.34 109.512 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.58 -47.82 71.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.72 109.489 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.736 HE22 HD11 ' D' ' 350' ' ' LEU . 12.5 mt-30 -81.42 -1.52 45.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.869 . . . . 1.8 109.622 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.5 -80.33 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.198 -0.939 . . . . 1.39 109.519 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.34 49.79 4.25 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.741 -1.344 . . . . 1.66 109.741 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 13.0 tttt -87.11 120.09 28.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.138 -1.213 . . . . 4.45 109.457 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -48.03 106.62 0.62 Allowed Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.253 -0.904 . . . . 6.19 109.597 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 1.8 Cg_endo -67.95 -3.0 9.71 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.079 1.852 . . . . 5.58 110.687 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 CA-C-O 117.964 -1.465 . . . . 6.9 109.518 -179.879 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' D' ' 322' ' ' PRO . 2.0 mptp? . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.284 0.564 . . . . 7.36 109.58 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 16.3 mttt 63.88 23.84 13.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.275 -0.891 . . . . 7.15 109.652 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.478 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 1.3 mttp 62.15 63.44 2.02 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.215 -0.928 . . . . 6.5 109.876 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -64.53 93.59 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.125 1.884 . . . . 4.5 109.899 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 23.1 mt -80.86 100.66 8.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.118 -0.989 . . . . 4.32 109.862 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.88 -164.42 0.86 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.464 -0.772 . . . . 2.46 109.233 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.34 174.22 34.99 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.265 -1.534 . . . . 0.97 109.265 179.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.41 134.53 56.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.211 -1.17 . . . . 1.67 109.286 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -92.43 153.49 19.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.313 -0.867 . . . . 0.61 109.57 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.9 m-85 -137.82 -163.31 1.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.56 109.305 179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.458 HG23 ' O ' ' D' ' 328' ' ' PHE . 20.2 p -154.9 156.81 36.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.194 -0.941 . . . . 0.43 109.615 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.0 tp -147.56 129.73 15.55 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.35 109.318 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -86.35 134.96 33.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.305 -0.872 . . . . 1.37 109.73 -179.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.698 HD13 ' HB2' ' D' ' 341' ' ' PHE . 30.7 mt -123.85 115.65 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.319 -0.863 . . . . 0.48 109.29 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.76 147.38 43.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.285 -0.884 . . . . 2.08 109.746 -179.814 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.459 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 91.79 136.93 7.39 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.752 -1.339 . . . . 0.4 109.752 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 21.6 ttm180 -73.55 -53.17 11.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -1.149 . . . . 2.64 109.374 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.02 -41.92 84.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 2.22 109.248 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.485 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.42 -46.96 82.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.469 -0.77 . . . . 2.74 109.732 -179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.617 ' HD1' HD12 ' D' ' 332' ' ' ILE . 40.7 t80 -55.46 -55.69 28.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.513 -0.742 . . . . 0.43 109.825 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -50.77 -36.59 37.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.914 . . . . 1.69 110.068 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -63.43 -51.65 64.82 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.12 -0.987 . . . . 0.43 110.369 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.698 ' HB2' HD13 ' D' ' 332' ' ' ILE . 26.5 m-85 -60.86 -53.35 58.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.209 -0.932 . . . . 0.27 109.412 -179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.15 -34.86 23.71 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.429 -0.795 . . . . 2.45 109.841 179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -50.97 70.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.038 -1.039 . . . . 1.75 109.672 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.666 HD22 HD22 ' C' ' 344' ' ' LEU . 62.9 mt -61.49 -33.7 74.23 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.215 -0.928 . . . . 0.31 109.038 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.558 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.8 t-20 -60.54 -54.54 44.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.466 -0.771 . . . . 1.22 109.898 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.88 -33.3 75.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 1.73 110.049 -179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.18 48.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.28 109.757 -179.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.1 -41.59 96.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.378 -0.826 . . . . 0.31 109.473 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.7 -32.91 72.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 1.91 109.445 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.736 HD11 HE22 ' C' ' 354' ' ' GLN . 14.0 tp -64.8 -46.12 83.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.883 . . . . 0.43 109.376 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 6.3 ttmm -61.48 -44.33 97.29 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.449 -0.782 . . . . 1.57 108.943 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.583 -0.698 . . . . 1.44 109.528 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.336 -0.852 . . . . 0.64 109.43 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.541 HE22 HD11 ' C' ' 350' ' ' LEU . 12.6 mt-30 -81.37 -1.69 46.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.233 -0.917 . . . . 1.21 109.587 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.49 -80.35 0.05 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 1.22 109.492 -179.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 49.8 4.26 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.72 -1.352 . . . . 1.5 109.72 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.445 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 12.9 tttt -87.12 120.05 27.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.158 -1.201 . . . . 4.18 109.44 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.99 106.58 0.62 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.863 . . . . 5.67 109.61 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 1.9 Cg_endo -67.9 -3.11 9.88 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 122.176 1.917 . . . . 5.65 110.694 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.987 -1.452 . . . . 7.27 109.592 -179.904 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.43 -0.582 . . . . 7.33 109.43 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.23 -150.47 0.44 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.945 . . . . 7.21 109.316 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 102.53 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.199 -0.938 . . . . 6.47 109.615 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -68.01 0.1 4.85 Favored 'Trans proline' 0 C--N 1.314 -1.242 0 C-N-CA 122.188 1.925 . . . . 4.53 111.033 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 323' ' ' LEU . 7.6 mt -81.13 6.3 14.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.809 -1.182 . . . . 4.35 109.76 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -80.23 -160.75 0.31 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.883 . . . . 2.48 109.461 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 160.01 52.6 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.569 -1.413 . . . . 0.98 109.569 -179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.74 135.78 57.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -1.143 . . . . 1.7 109.443 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.78 158.64 15.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.61 109.584 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 77.6 m-85 -138.65 -167.0 2.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.58 109.641 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.434 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 1.6 p -153.57 157.75 40.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.168 -0.957 . . . . 0.42 109.564 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.9 tp -149.26 131.62 15.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.875 . . . . 0.36 109.485 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 3.8 tt0 -86.58 131.49 34.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.208 -0.932 . . . . 1.37 109.4 179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.6 mt -123.92 119.29 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 0.47 109.57 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.43 148.82 42.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.314 -0.866 . . . . 2.1 109.498 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.41 136.01 6.34 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.534 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -80.76 -51.5 8.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.236 -1.156 . . . . 2.68 109.496 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.26 -47.7 82.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.286 -0.884 . . . . 2.22 109.438 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.7 -42.58 97.47 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.29 -0.881 . . . . 2.77 109.558 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.539 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.7 t80 -54.49 -57.24 12.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.433 -0.792 . . . . 0.43 109.544 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.49 -34.6 36.5 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.287 -0.883 . . . . 1.66 109.631 -179.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.59 -49.28 73.97 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.197 -0.939 . . . . 0.44 110.098 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -60.99 -52.56 64.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.163 -0.96 . . . . 0.29 109.258 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.48 -39.86 49.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -0.808 . . . . 2.44 109.704 179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.43 -43.84 98.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.942 . . . . 1.74 110.014 -179.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' B' ' 344' ' ' LEU . 38.0 mt -61.64 -43.38 98.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.239 -0.913 . . . . 0.3 109.397 -179.749 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.81 -49.62 76.03 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.374 -0.829 . . . . 1.22 109.685 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.477 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.313 -0.867 . . . . 1.72 110.01 -179.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.84 -53.59 55.52 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.106 -0.996 . . . . 0.27 109.986 -179.53 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.478 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 30.0 mt -60.89 -42.66 98.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.357 -0.839 . . . . 0.29 109.635 -179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.2 -34.26 73.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.948 . . . . 1.91 109.614 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.0 tt -64.51 -45.97 84.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.214 -0.929 . . . . 0.41 109.409 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.06 -43.99 97.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.542 -0.724 . . . . 1.56 109.188 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.42 -37.63 73.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.514 -0.741 . . . . 1.43 109.741 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -27.05 67.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.347 -0.846 . . . . 0.66 109.522 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.22 -12.75 56.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.233 -0.917 . . . . 1.18 109.384 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.26 -6.89 46.2 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.218 -0.926 . . . . 1.23 109.569 179.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 0.4 88.59 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.65 -1.38 . . . . 1.54 109.65 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 32.5 0.68 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.226 -1.161 . . . . 4.18 109.937 -179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.586 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 0.3 OUTLIER -49.57 -54.5 30.3 Favored Pre-proline 0 N--CA 1.488 1.458 0 O-C-N 121.079 -1.013 . . . . 5.71 109.818 179.641 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 4.7 Cg_exo -60.41 161.99 18.8 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 121.885 1.723 . . . . 5.61 110.253 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.006 -1.441 . . . . 7.24 109.533 179.942 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.388 -0.597 . . . . 7.34 109.388 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 58.18 -150.37 0.44 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.155 -0.965 . . . . 7.17 109.425 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.99 102.55 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.23 -0.918 . . . . 6.44 109.555 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.03 0.12 4.84 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.213 1.942 . . . . 4.54 111.01 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.434 HD23 ' N ' ' B' ' 323' ' ' LEU . 7.6 mt -81.22 6.32 14.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.867 -1.146 . . . . 4.32 109.744 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -80.18 -160.85 0.31 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.267 -0.896 . . . . 2.47 109.562 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.75 160.08 52.13 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.663 -1.375 . . . . 0.95 109.663 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.82 135.74 57.59 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.167 -1.196 . . . . 1.61 109.451 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -93.66 158.64 15.58 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.23 -0.919 . . . . 0.57 109.633 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 77.1 m-85 -138.61 -167.01 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.234 -0.917 . . . . 0.53 109.546 -179.776 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.6 p -153.59 157.7 40.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.118 -0.989 . . . . 0.38 109.543 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.0 tp -149.27 131.61 15.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 0.36 109.399 -179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 3.7 tt0 -86.68 131.56 34.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.299 -0.876 . . . . 1.36 109.385 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.54 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.5 mt -123.85 119.3 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.176 -0.952 . . . . 0.49 109.575 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.47 148.61 43.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.243 -0.911 . . . . 2.1 109.53 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.67 136.02 6.47 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.67 -1.372 . . . . 0.44 109.67 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.58 8.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.36 -1.082 . . . . 2.72 109.538 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -47.78 82.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 2.21 109.458 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.61 -42.67 97.28 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.317 -0.865 . . . . 2.79 109.541 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.54 ' HD1' HD12 ' B' ' 332' ' ' ILE . 44.8 t80 -54.53 -57.2 12.3 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.429 -0.794 . . . . 0.45 109.517 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -51.35 -34.65 34.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.68 109.742 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.57 -49.35 73.74 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.252 -0.905 . . . . 0.43 110.092 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -60.92 -52.6 64.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.222 -0.924 . . . . 0.28 109.244 -179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.54 -39.95 50.52 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.359 -0.838 . . . . 2.52 109.539 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.33 -43.91 98.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.127 -0.983 . . . . 1.75 109.981 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.707 HD22 HD22 ' A' ' 344' ' ' LEU . 38.7 mt -61.57 -43.34 99.03 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.914 . . . . 0.31 109.456 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.9 -49.56 76.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.367 -0.833 . . . . 1.21 109.655 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.9 -31.93 73.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.345 -0.847 . . . . 1.69 110.029 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.676 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.8 -53.58 55.57 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.27 110.049 -179.568 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.96 -42.72 98.83 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -0.872 . . . . 0.3 109.579 -179.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.1 -34.22 73.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.161 -0.962 . . . . 1.93 109.651 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.706 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.0 tt -64.62 -45.91 84.83 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.341 -0.85 . . . . 0.4 109.487 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.9 97.86 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.434 -0.791 . . . . 1.59 109.189 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 -37.66 73.24 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.452 -0.78 . . . . 1.43 109.688 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.06 67.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.65 109.495 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.24 -12.65 56.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 1.19 109.468 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -6.93 46.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.199 -0.938 . . . . 1.22 109.483 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.34 88.59 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.693 -1.363 . . . . 1.53 109.693 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 32.31 0.68 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.187 -1.184 . . . . 4.21 109.963 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.3 OUTLIER -49.55 -54.47 30.51 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 5.68 109.79 179.764 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 4.7 Cg_exo -60.51 162.02 19.04 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.922 1.748 . . . . 5.57 110.284 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 118.034 -1.426 . . . . 7.2 109.556 -179.928 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.396 -0.594 . . . . 8.96 109.396 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.19 -150.42 0.44 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 8.15 109.332 -179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.01 102.67 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.256 -0.903 . . . . 7.15 109.573 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.12 0.14 4.87 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.091 1.861 . . . . 4.35 111.05 179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.421 ' N ' HD23 ' C' ' 323' ' ' LEU . 7.6 mt -81.21 6.36 14.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.848 -1.157 . . . . 4.63 109.747 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -80.18 -160.77 0.31 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 2.85 109.525 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 160.12 52.38 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.561 -1.415 . . . . 1.12 109.561 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.9 135.73 57.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.185 -1.185 . . . . 2.11 109.519 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -93.7 158.69 15.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.236 -0.915 . . . . 0.64 109.506 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 77.3 m-85 -138.67 -167.02 2.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.246 -0.908 . . . . 0.49 109.586 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 1.6 p -153.66 157.63 39.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.228 -0.92 . . . . 0.47 109.487 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -149.16 131.65 15.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.42 109.474 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -86.52 131.5 34.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.216 -0.928 . . . . 1.81 109.365 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.533 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.7 mt -123.95 119.34 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.935 . . . . 0.42 109.583 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 148.69 42.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.151 -0.968 . . . . 2.35 109.487 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.53 136.09 6.42 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.76 -1.336 . . . . 0.41 109.76 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -80.7 -51.69 8.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.294 -1.121 . . . . 2.59 109.539 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.13 -47.66 82.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.291 -0.88 . . . . 2.54 109.509 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.478 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttm180 -60.78 -42.55 97.75 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.313 -0.867 . . . . 3.39 109.602 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' C' ' 332' ' ' ILE . 44.4 t80 -54.68 -57.15 12.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.355 -0.84 . . . . 0.47 109.465 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.39 -34.6 35.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -0.909 . . . . 1.66 109.695 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -63.63 -49.25 74.0 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.351 -0.843 . . . . 0.61 110.095 -179.382 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.4 m-85 -61.01 -52.61 64.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.33 109.226 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -50.39 -39.97 48.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.478 -0.764 . . . . 3.28 109.667 179.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.47 -43.7 98.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.221 -0.924 . . . . 1.78 110.033 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' D' ' 344' ' ' LEU . 38.1 mt -61.68 -43.36 99.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.237 -0.914 . . . . 0.38 109.407 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -57.87 -49.58 76.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.334 -0.854 . . . . 1.2 109.674 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -62.8 -31.98 73.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.293 -0.879 . . . . 2.12 110.068 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -53.67 54.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.151 -0.968 . . . . 0.26 110.007 -179.555 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.82 -42.79 98.4 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.4 109.559 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.18 -34.24 73.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.336 -0.853 . . . . 2.09 109.612 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.707 ' O ' HD23 ' C' ' 350' ' ' LEU . 2.0 tt -64.6 -45.94 84.8 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.915 . . . . 0.75 109.43 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 3.9 ttmm -62.01 -43.99 97.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.533 -0.729 . . . . 2.19 109.179 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -37.57 73.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.548 -0.72 . . . . 1.34 109.734 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.16 -26.96 66.91 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.287 -0.883 . . . . 0.72 109.55 -179.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -83.26 -12.62 56.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.194 -0.942 . . . . 1.8 109.589 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -6.77 45.74 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.33 -0.856 . . . . 1.39 109.45 179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 0.28 88.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.725 -1.35 . . . . 1.66 109.725 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 32.42 0.68 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.138 -1.213 . . . . 4.45 109.897 -179.719 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.587 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 0.3 OUTLIER -49.68 -54.45 31.28 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.114 -0.991 . . . . 6.19 109.766 179.724 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 4.7 Cg_exo -60.36 161.95 18.76 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.962 1.775 . . . . 5.58 110.276 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 117.954 -1.47 . . . . 6.9 109.592 -179.969 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.393 -0.595 . . . . 7.36 109.393 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt 58.23 -150.43 0.44 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 7.15 109.349 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.99 102.55 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.194 -0.941 . . . . 6.5 109.626 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.01 0.13 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.195 1.93 . . . . 4.5 110.945 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.437 ' N ' HD23 ' D' ' 323' ' ' LEU . 7.7 mt -81.27 6.35 14.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.818 -1.176 . . . . 4.32 109.657 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -80.06 -160.91 0.31 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.885 . . . . 2.46 109.521 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.85 160.02 52.35 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.669 -1.372 . . . . 0.97 109.669 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.76 135.69 57.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.382 -1.069 . . . . 1.67 109.46 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -93.64 158.69 15.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.174 -0.954 . . . . 0.61 109.569 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.2 m-85 -138.64 -167.03 2.11 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.56 109.653 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.6 p -153.57 157.71 40.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.935 . . . . 0.43 109.58 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' B' ' 329' ' ' THR . 12.9 tp -149.21 131.6 15.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.35 109.435 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 3.7 tt0 -86.61 131.5 34.14 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.915 . . . . 1.37 109.409 179.855 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.532 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.7 mt -123.89 119.35 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.216 -0.928 . . . . 0.48 109.552 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.46 148.67 42.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 2.08 109.579 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.56 136.05 6.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.762 -1.335 . . . . 0.4 109.762 179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.572 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -80.74 -51.67 8.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -1.182 . . . . 2.64 109.494 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -58.18 -47.66 82.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 2.22 109.457 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -60.76 -42.53 97.64 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.376 -0.828 . . . . 2.74 109.572 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.532 ' HD1' HD12 ' D' ' 332' ' ' ILE . 44.5 t80 -54.59 -57.18 12.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.42 -0.8 . . . . 0.43 109.495 -179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -51.37 -34.63 35.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 1.69 109.781 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.7 ttp -63.63 -49.35 73.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.19 -0.944 . . . . 0.43 110.079 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.6 m-85 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.222 -0.924 . . . . 0.27 109.189 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -50.36 -40.06 48.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.404 -0.81 . . . . 2.45 109.638 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -61.35 -43.88 98.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.75 110.023 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.805 HD22 HD22 ' C' ' 344' ' ' LEU . 38.5 mt -61.56 -43.35 99.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.206 -0.934 . . . . 0.31 109.501 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -57.92 -49.47 76.66 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.433 -0.792 . . . . 1.22 109.648 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 18.0 mt-10 -62.9 -32.05 73.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.297 -0.877 . . . . 1.73 109.972 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.703 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.7 -53.71 54.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.137 -0.977 . . . . 0.28 110.006 -179.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 30.0 mt -60.88 -42.62 98.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.31 109.61 -179.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.33 -34.1 73.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 1.91 109.562 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.0 tt -64.7 -45.84 84.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.43 109.415 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -62.18 -43.86 97.89 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.461 -0.774 . . . . 1.57 109.163 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -37.66 73.36 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.596 -0.69 . . . . 1.44 109.581 179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.12 67.11 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.271 -0.893 . . . . 0.64 109.495 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -83.2 -12.61 56.7 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.239 -0.913 . . . . 1.21 109.595 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -7.01 47.07 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.165 -0.959 . . . . 1.22 109.489 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.18 0.29 88.79 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.679 -1.369 . . . . 1.5 109.679 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 32.38 0.68 Allowed 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.077 -1.249 . . . . 4.18 109.92 -179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.571 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 0.3 OUTLIER -49.71 -54.46 31.36 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.078 -1.013 . . . . 5.67 109.738 179.765 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 4.8 Cg_exo -60.4 161.93 18.93 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.931 1.754 . . . . 5.65 110.357 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.542 -1.423 . . . . 7.27 109.542 -179.996 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 321' ' ' LYS . 17.3 mttt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.553 -0.536 . . . . 7.33 109.553 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.75 -89.14 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 7.21 109.5 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 8.3 mttt 64.58 64.16 1.17 Allowed Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 6.47 109.702 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.3 Cg_exo -60.6 170.21 4.64 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.201 1.934 . . . . 4.53 110.121 179.836 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 mt -80.59 109.28 14.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.196 -0.94 . . . . 4.35 109.469 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.42 -170.61 2.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.916 . . . . 2.48 109.453 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.39 164.81 47.61 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.497 -1.441 . . . . 0.98 109.497 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.46 130.84 48.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 1.7 109.552 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 13.0 m-85 -93.33 156.86 16.54 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.94 . . . . 0.61 109.394 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.7 m-85 -139.47 -169.84 2.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.209 -0.932 . . . . 0.58 109.584 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 73.7 p -153.55 158.56 41.42 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.877 . . . . 0.42 109.442 -179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' C' ' 329' ' ' THR . 18.7 tp -149.52 133.91 17.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.873 . . . . 0.36 109.601 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.92 126.58 34.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.883 . . . . 1.37 109.224 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.4 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.1 mt -123.71 111.05 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.141 -0.974 . . . . 0.47 109.62 -179.782 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.44 152.3 40.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.29 -0.881 . . . . 2.1 109.456 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.21 130.0 6.63 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.771 -1.332 . . . . 0.42 109.771 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.97 1.33 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.337 -1.096 . . . . 2.68 109.504 179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.64 87.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.384 -0.823 . . . . 2.22 109.669 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.439 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 3.3 ttt180 -60.53 -43.52 97.08 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.257 -0.902 . . . . 2.77 109.667 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 36.1 t80 -55.07 -56.31 21.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.43 109.633 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -51.15 -33.05 25.21 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.334 -0.854 . . . . 1.66 109.868 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.15 -50.04 71.96 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.178 -0.951 . . . . 0.44 110.04 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.4 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.8 m-85 -61.23 -47.6 85.32 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.938 . . . . 0.29 109.171 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.06 -42.24 62.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.381 -0.824 . . . . 2.44 109.854 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.57 -40.96 93.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 1.74 110.025 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 344' ' ' LEU . 85.6 mt -62.36 -46.0 90.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.908 . . . . 0.3 109.484 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -58.19 -47.13 84.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.269 -0.894 . . . . 1.22 109.831 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.08 -33.98 75.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.305 -0.872 . . . . 1.72 109.935 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.35 -51.89 67.59 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.27 110.076 -179.6 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.32 -41.83 97.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.347 -0.846 . . . . 0.29 109.72 -179.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.67 -37.29 78.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 1.91 109.783 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.404 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.9 tp -64.31 -45.25 88.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.41 109.659 -179.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.54 -36.57 80.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.249 -0.907 . . . . 1.56 108.951 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -56.52 -36.36 69.12 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.409 -0.807 . . . . 1.43 109.465 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.09 87.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.386 -0.821 . . . . 0.66 109.475 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.4 -0.35 41.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 1.18 109.588 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.28 13.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.247 -0.908 . . . . 1.23 109.543 -179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 57.94 4.94 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.882 -1.287 . . . . 1.54 109.882 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.01 128.5 35.08 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -1.196 . . . . 4.18 109.404 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.75 164.39 0.42 Allowed Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 5.71 109.629 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.79 140.74 92.21 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.282 1.988 . . . . 5.61 110.252 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.508 -1.437 . . . . 7.24 109.508 -179.994 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 321' ' ' LYS . 17.3 mttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.257 0.551 . . . . 7.34 109.541 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.64 -89.05 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.21 -0.931 . . . . 7.17 109.486 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 8.3 mttt 64.45 64.22 1.2 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.219 -0.925 . . . . 6.44 109.742 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.4 Cg_exo -60.63 170.16 4.72 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.298 1.999 . . . . 4.54 110.062 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.47 109.2 14.76 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 4.32 109.47 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -79.47 -170.75 2.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 2.47 109.39 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.428 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.17 164.88 46.81 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.532 -1.427 . . . . 0.95 109.532 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.67 130.89 49.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.244 -1.151 . . . . 1.61 109.476 -179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 13.0 m-85 -93.43 156.76 16.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.289 -0.882 . . . . 0.57 109.367 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.178 -0.951 . . . . 0.53 109.525 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 75.9 p -153.41 158.43 41.43 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.38 109.536 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 19.0 tp -149.41 134.01 17.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 0.36 109.532 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.88 126.52 34.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 1.36 109.166 179.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' B' ' 341' ' ' PHE . 49.9 mt -123.67 110.95 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.119 -0.988 . . . . 0.49 109.71 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.35 152.19 40.98 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.226 -0.922 . . . . 2.1 109.452 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.29 130.03 6.65 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.807 -1.317 . . . . 0.44 109.807 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 16.2 ttm180 -74.23 -62.98 1.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -1.132 . . . . 2.72 109.504 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -41.73 87.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.456 -0.778 . . . . 2.21 109.694 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.43 -43.62 96.6 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.261 -0.899 . . . . 2.79 109.69 -179.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' D' ' 329' ' ' THR . 35.8 t80 -55.09 -56.14 23.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.45 109.734 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.33 -32.9 26.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.333 -0.855 . . . . 1.68 109.904 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.26 -49.95 72.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.161 -0.962 . . . . 0.43 110.096 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.401 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.0 m-85 -61.18 -47.68 85.06 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.097 -1.002 . . . . 0.28 109.213 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -52.03 -42.18 62.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 2.52 109.891 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -60.58 -41.04 93.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.096 -1.002 . . . . 1.75 109.959 -179.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -46.01 90.74 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.201 -0.937 . . . . 0.31 109.588 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -58.17 -47.23 84.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.872 . . . . 1.21 109.803 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -34.04 75.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.365 -0.834 . . . . 1.69 110.031 -179.663 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.813 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.29 -51.93 67.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -0.904 . . . . 0.27 110.129 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.14 -42.02 97.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.854 . . . . 0.3 109.719 -179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.58 -37.28 78.09 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.284 -0.885 . . . . 1.93 109.758 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 15.8 tp -64.3 -45.31 88.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.275 -0.891 . . . . 0.4 109.62 -179.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.43 -36.71 81.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.872 . . . . 1.59 108.866 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.43 -36.33 68.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.523 -0.735 . . . . 1.43 109.503 179.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.19 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.65 109.407 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -81.35 -0.44 41.21 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 1.19 109.573 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.21 13.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.163 -0.961 . . . . 1.22 109.563 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 58.15 4.89 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.798 -1.321 . . . . 1.53 109.798 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.14 128.42 35.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.253 -1.145 . . . . 4.21 109.342 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.73 164.35 0.42 Allowed Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.118 -0.989 . . . . 5.68 109.629 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.61 140.69 92.4 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.29 1.993 . . . . 5.57 110.273 179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 118.037 -1.424 . . . . 7.2 109.561 179.879 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' C' ' 321' ' ' LYS . 17.2 mttt . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.517 -0.549 . . . . 8.96 109.517 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.66 -89.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.23 -0.919 . . . . 8.15 109.482 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 8.2 mttt 64.51 64.22 1.18 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 7.15 109.704 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.3 Cg_exo -60.54 170.23 4.56 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.216 1.944 . . . . 4.35 110.115 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.1 mt -80.66 109.31 15.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.178 -0.951 . . . . 4.63 109.505 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -79.47 -170.6 2.39 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 2.85 109.428 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.3 164.85 47.28 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.512 -1.435 . . . . 1.12 109.512 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.61 130.87 48.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.291 -1.123 . . . . 2.11 109.587 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 13.0 m-85 -93.35 156.82 16.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.294 -0.879 . . . . 0.64 109.401 179.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -139.42 -169.92 2.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.199 -0.938 . . . . 0.49 109.488 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 74.7 p -153.51 158.49 41.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.219 -0.926 . . . . 0.47 109.549 -179.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 329' ' ' THR . 19.0 tp -149.59 133.93 17.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.347 -0.845 . . . . 0.42 109.497 -179.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.75 126.54 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 1.81 109.241 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 50.0 mt -123.68 111.08 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.143 -0.973 . . . . 0.42 109.679 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.405 ' HD3' ' HA3' ' A' ' 325' ' ' GLY . 1.0 OUTLIER -73.44 152.17 40.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.323 -0.861 . . . . 2.35 109.453 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.37 130.02 6.66 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.754 -1.338 . . . . 0.41 109.754 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 16.2 ttm180 -74.3 -62.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.347 -1.09 . . . . 2.59 109.428 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -41.62 87.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.406 -0.809 . . . . 2.54 109.736 -179.907 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.58 -43.59 97.18 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.281 -0.887 . . . . 3.39 109.649 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -55.15 -56.17 22.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.47 109.644 -179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -51.34 -32.87 27.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 1.66 109.87 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.24 -50.01 71.89 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.205 -0.934 . . . . 0.61 110.069 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.17 -47.67 85.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.184 -0.947 . . . . 0.33 109.157 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.08 -42.22 63.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.395 -0.815 . . . . 3.28 109.811 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -60.53 -41.02 93.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.188 -0.945 . . . . 1.78 110.042 -179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 344' ' ' LEU . 85.7 mt -62.36 -45.91 91.04 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.201 -0.937 . . . . 0.38 109.56 -179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -58.23 -47.13 84.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.2 109.742 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -33.96 75.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.865 . . . . 2.12 109.914 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -52.04 66.98 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.208 -0.933 . . . . 0.26 110.04 -179.613 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.439 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 35.7 mt -61.11 -42.07 97.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.252 -0.905 . . . . 0.4 109.704 -179.537 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.5 -37.31 77.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 2.09 109.808 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.54 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 15.8 tp -64.2 -45.43 88.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.263 -0.898 . . . . 0.75 109.612 -179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -61.42 -36.63 80.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 2.19 108.92 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -56.41 -36.37 68.84 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.585 -0.697 . . . . 1.34 109.481 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -39.28 87.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.72 109.451 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -81.37 -0.35 40.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.328 -0.858 . . . . 1.8 109.556 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.23 -54.26 13.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.224 -0.923 . . . . 1.39 109.538 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 57.99 4.93 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.841 -1.304 . . . . 1.66 109.841 -179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.99 128.35 35.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.106 -1.232 . . . . 4.45 109.459 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.7 164.36 0.42 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.202 -0.936 . . . . 6.19 109.602 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.7 140.76 92.53 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.228 1.952 . . . . 5.58 110.267 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 CA-C-O 118.009 -1.439 . . . . 6.9 109.517 179.959 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' D' ' 321' ' ' LYS . 17.2 mttt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.273 0.559 . . . . 7.36 109.503 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.66 -88.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.264 -0.897 . . . . 7.15 109.516 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 8.3 mttt 64.42 64.16 1.21 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.152 -0.968 . . . . 6.5 109.697 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.3 Cg_exo -60.51 170.21 4.54 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.291 1.994 . . . . 4.5 110.136 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.62 109.22 14.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 4.32 109.504 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.5 -170.74 2.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.369 -0.832 . . . . 2.46 109.427 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.43 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.3 164.79 47.33 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.425 -1.47 . . . . 0.97 109.425 -179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.43 130.77 48.3 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -1.117 . . . . 1.67 109.581 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 12.8 m-85 -93.31 156.75 16.62 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.61 109.497 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.5 m-85 -139.41 -169.95 2.79 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.56 109.618 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 74.5 p -153.45 158.5 41.49 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.43 109.51 -179.761 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' B' ' 329' ' ' THR . 19.1 tp -149.49 134.0 17.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.35 109.547 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -85.87 126.51 34.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 1.37 109.187 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 49.7 mt -123.7 111.04 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.48 109.66 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.405 ' HD3' ' HA3' ' B' ' 325' ' ' GLY . 1.0 OUTLIER -73.46 152.08 40.86 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.2 -0.938 . . . . 2.08 109.41 179.776 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.38 130.11 6.69 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.709 -1.357 . . . . 0.4 109.709 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.569 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 16.2 ttm180 -74.39 -62.84 1.38 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.254 -1.145 . . . . 2.64 109.468 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.94 -41.66 87.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.362 -0.836 . . . . 2.22 109.75 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -60.49 -43.5 96.92 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.126 -0.984 . . . . 2.74 109.77 -179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' B' ' 329' ' ' THR . 36.0 t80 -55.07 -56.16 22.91 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.295 -0.878 . . . . 0.43 109.737 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.41 -32.83 27.82 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.316 -0.865 . . . . 1.69 109.896 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -63.3 -50.05 71.59 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.163 -0.96 . . . . 0.43 109.992 -179.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -61.06 -47.68 85.23 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.251 -0.905 . . . . 0.27 109.266 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -52.1 -42.17 63.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 2.45 109.885 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -60.6 -40.97 93.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.154 -0.967 . . . . 1.75 109.961 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.42 -45.85 91.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.31 109.588 -179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.25 -47.09 84.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.321 -0.862 . . . . 1.22 109.802 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -33.95 75.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.875 . . . . 1.73 110.003 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.87 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.25 -52.04 66.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.276 -0.89 . . . . 0.28 110.131 -179.722 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.13 -42.05 97.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.31 109.681 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.58 -37.23 77.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.91 109.807 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.54 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 15.9 tp -64.24 -45.44 88.14 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.43 109.63 -179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -61.35 -36.69 80.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.294 -0.878 . . . . 1.57 108.963 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -56.41 -36.29 68.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.578 -0.701 . . . . 1.44 109.521 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.99 -39.19 87.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.64 109.481 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -81.3 -0.36 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.355 -0.841 . . . . 1.21 109.632 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.28 -54.23 13.54 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.168 -0.958 . . . . 1.22 109.526 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.36 57.95 4.92 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.806 -1.318 . . . . 1.5 109.806 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -87.04 128.35 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -1.16 . . . . 4.18 109.474 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.67 164.39 0.42 Allowed Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.26 -0.9 . . . . 5.67 109.673 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.74 140.75 92.38 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.272 1.982 . . . . 5.65 110.316 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 117.93 -1.484 . . . . 7.27 109.527 -179.942 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.426 -0.583 . . . . 7.33 109.426 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.18 91.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.24 -0.912 . . . . 7.21 109.383 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.95 85.05 0.2 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 6.47 109.03 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.44 -2.79 7.84 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.217 1.945 . . . . 4.53 110.985 -179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.67 93.23 7.32 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.821 -1.175 . . . . 4.35 109.576 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 1.1 m-20 -83.34 141.44 31.78 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.474 -0.766 . . . . 2.48 109.369 179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.501 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.92 154.21 53.23 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.219 -1.553 . . . . 0.98 109.219 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.35 130.19 45.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -1.157 . . . . 1.7 109.341 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 8.5 m-85 -93.06 153.68 18.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.134 -0.979 . . . . 0.61 109.596 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.4 m-85 -139.32 -172.03 3.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.58 109.597 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.3 p -153.15 160.16 42.83 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.268 -0.895 . . . . 0.42 109.388 -179.876 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.95 131.34 16.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.905 . . . . 0.36 109.52 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.23 132.3 34.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 1.37 109.383 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' HD1' ' A' ' 338' ' ' PHE . 65.6 mt -123.51 109.23 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.303 -0.873 . . . . 0.47 109.479 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -73.64 116.88 14.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 2.1 109.194 179.927 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.54 4.21 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.476 -1.45 . . . . 0.42 109.476 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.484 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.2 ttp180 -81.01 -57.0 3.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -1.121 . . . . 2.68 109.634 -179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.45 -46.38 86.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.25 -0.907 . . . . 2.22 109.672 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.488 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.4 ttm180 -60.78 -41.58 95.84 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.253 -0.904 . . . . 2.77 109.506 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.525 ' HD1' HD12 ' A' ' 332' ' ' ILE . 43.5 t80 -55.12 -55.66 28.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.43 109.579 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.86 -37.98 54.22 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.379 -0.825 . . . . 1.66 110.027 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.74 -46.53 87.63 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.236 -0.915 . . . . 0.44 110.154 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.49 -51.12 69.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.29 109.274 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.81 59.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.374 -0.829 . . . . 2.44 109.761 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.84 -41.13 90.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.221 -0.925 . . . . 1.74 109.857 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' B' ' 344' ' ' LEU . 69.7 mt -62.52 -44.89 95.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.3 109.525 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.56 -47.5 84.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.374 -0.829 . . . . 1.22 109.977 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.88 -37.05 83.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.313 -0.867 . . . . 1.72 109.968 -179.577 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.53 -51.99 67.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.224 -0.922 . . . . 0.27 110.028 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 29.5 mt -61.38 -41.5 97.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.312 -0.868 . . . . 0.29 109.647 -179.615 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.78 -35.88 75.54 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.91 109.56 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.488 HD21 ' NE2' ' B' ' 354' ' ' GLN . 10.6 tp -64.01 -45.36 89.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.87 . . . . 0.41 109.59 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.68 -43.27 99.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.56 109.169 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.7 -31.19 64.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.636 -0.665 . . . . 1.43 109.799 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.21 72.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.381 -0.824 . . . . 0.66 109.598 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.492 ' NE2' HD21 ' B' ' 350' ' ' LEU . 2.3 mt-30 -81.88 -5.82 58.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 1.18 109.563 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.52 -49.26 42.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.169 -0.957 . . . . 1.23 109.566 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.77 6.88 60.49 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.956 -1.258 . . . . 1.54 109.956 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -86.23 104.46 15.8 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -1.156 . . . . 4.18 109.405 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 109.44 1.23 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.297 -0.877 . . . . 5.71 109.592 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.61 -1.75 6.3 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.167 1.912 . . . . 5.61 110.896 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 109.467 -1.453 . . . . 7.24 109.467 179.997 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.404 -0.591 . . . . 7.34 109.404 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.05 91.52 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 7.17 109.42 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.8 85.04 0.2 Allowed Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 6.44 109.134 -179.743 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.28 -2.98 7.93 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.267 1.978 . . . . 4.54 111.042 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 25.6 mt -82.59 93.17 7.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.909 -1.119 . . . . 4.32 109.625 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 1.1 m-20 -83.25 141.26 32.0 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.477 -0.764 . . . . 2.47 109.4 179.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.68 154.08 53.14 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.188 -1.565 . . . . 0.95 109.188 179.7 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.38 130.11 45.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.176 -1.19 . . . . 1.61 109.393 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 8.6 m-85 -93.05 153.7 18.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.174 -0.954 . . . . 0.57 109.594 -179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.5 m-85 -139.3 -171.91 3.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.343 -0.848 . . . . 0.53 109.504 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 67.8 p -153.2 160.04 42.75 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.38 109.376 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.83 131.33 16.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -0.895 . . . . 0.36 109.611 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.13 132.2 34.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.88 . . . . 1.36 109.455 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.521 HD12 ' HD1' ' B' ' 338' ' ' PHE . 65.5 mt -123.49 109.15 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.152 -0.967 . . . . 0.49 109.484 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.505 ' HB3' ' CZ ' ' B' ' 333' ' ' ARG . 0.2 OUTLIER -73.53 116.91 14.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 2.1 109.279 179.841 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.38 136.64 4.23 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.447 -1.461 . . . . 0.44 109.447 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.2 ttp180 -81.13 -56.76 3.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.301 -1.117 . . . . 2.72 109.731 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.56 -46.62 86.48 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.32 -0.862 . . . . 2.21 109.596 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.49 -41.71 94.83 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.164 -0.96 . . . . 2.79 109.572 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.521 ' HD1' HD12 ' B' ' 332' ' ' ILE . 43.8 t80 -55.11 -55.56 29.72 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.257 -0.902 . . . . 0.45 109.661 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -51.9 -37.96 54.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.396 -0.815 . . . . 1.68 110.038 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.78 -46.54 87.54 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.166 -0.959 . . . . 0.43 110.185 -179.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.41 -51.1 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.28 109.348 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -40.63 59.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.339 -0.851 . . . . 2.52 109.696 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.83 -41.23 90.86 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.1 -1.0 . . . . 1.75 109.852 -179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 344' ' ' LEU . 70.3 mt -62.5 -44.87 95.32 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.231 -0.918 . . . . 0.31 109.574 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.55 -47.56 83.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 1.21 109.932 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.95 -36.98 83.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.29 -0.881 . . . . 1.69 109.958 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.57 -51.98 67.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.272 -0.892 . . . . 0.27 109.962 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.36 -41.53 97.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.324 -0.86 . . . . 0.3 109.687 -179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.81 -35.86 75.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.291 -0.881 . . . . 1.93 109.537 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.492 HD21 ' NE2' ' A' ' 354' ' ' GLN . 10.6 tp -64.04 -45.28 89.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.268 -0.895 . . . . 0.4 109.643 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.79 -43.23 99.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.431 -0.793 . . . . 1.59 109.059 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.78 -31.3 64.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.591 -0.693 . . . . 1.43 109.602 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -48.14 72.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.229 -0.919 . . . . 0.65 109.618 -179.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.488 ' NE2' HD21 ' A' ' 350' ' ' LEU . 2.4 mt-30 -81.91 -5.82 58.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.285 -0.884 . . . . 1.19 109.586 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.52 -49.26 42.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 1.22 109.546 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 6.81 60.6 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.892 -1.283 . . . . 1.53 109.892 -179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -86.15 104.47 15.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.199 -1.177 . . . . 4.21 109.506 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.44 109.47 1.24 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.324 -0.86 . . . . 5.68 109.518 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.69 -1.65 6.22 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.164 1.91 . . . . 5.57 110.826 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 7.2 109.501 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.33 0.586 . . . . 8.96 109.462 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.1 91.51 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 8.15 109.463 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.73 85.17 0.2 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.195 -0.941 . . . . 7.15 109.101 -179.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -2.89 7.96 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.198 1.932 . . . . 4.35 110.983 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.67 93.23 7.32 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.89 -1.131 . . . . 4.63 109.567 179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 1.1 m-20 -83.27 141.4 31.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.483 -0.761 . . . . 2.85 109.413 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.88 154.26 53.25 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.228 -1.549 . . . . 1.12 109.228 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -58.51 130.21 45.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.244 -1.15 . . . . 2.11 109.328 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 8.5 m-85 -93.11 153.78 18.47 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.166 -0.959 . . . . 0.64 109.577 -179.818 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 79.0 m-85 -139.35 -171.95 3.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.49 109.507 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 66.9 p -153.17 160.17 42.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.174 -0.954 . . . . 0.47 109.401 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.88 131.27 16.62 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.42 109.551 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 0.6 OUTLIER -86.13 132.28 34.06 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.328 -0.857 . . . . 1.81 109.391 179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' C' ' 338' ' ' PHE . 65.5 mt -123.46 109.22 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.967 . . . . 0.42 109.516 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' C' ' 333' ' ' ARG . 0.2 OUTLIER -73.68 117.05 15.0 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.206 -0.934 . . . . 2.35 109.24 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.27 136.55 4.23 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.402 -1.479 . . . . 0.41 109.402 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.2 ttp180 -81.06 -56.94 3.76 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -1.135 . . . . 2.59 109.629 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.44 -46.49 86.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.361 -0.837 . . . . 2.54 109.688 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.4 ttm180 -60.75 -41.55 95.62 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.246 -0.909 . . . . 3.39 109.523 -179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' C' ' 332' ' ' ILE . 43.5 t80 -55.17 -55.62 29.13 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.351 -0.843 . . . . 0.47 109.562 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.89 -37.99 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -0.825 . . . . 1.66 110.026 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.7 -46.59 87.42 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.208 -0.933 . . . . 0.61 110.221 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.31 -51.14 70.12 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.174 -0.954 . . . . 0.33 109.367 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -40.7 59.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.383 -0.823 . . . . 3.28 109.752 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -59.77 -41.23 90.6 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.271 -0.893 . . . . 1.78 109.866 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' D' ' 344' ' ' LEU . 70.3 mt -62.47 -45.05 94.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.196 -0.94 . . . . 0.38 109.494 -179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -58.39 -47.63 83.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 1.2 110.023 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.97 -36.91 82.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.274 -0.891 . . . . 2.12 109.946 -179.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.67 -51.83 68.13 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.222 -0.924 . . . . 0.26 110.038 -179.567 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.488 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 29.0 mt -61.42 -41.46 97.19 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.372 -0.83 . . . . 0.4 109.682 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -59.8 -35.91 75.65 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 2.09 109.595 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.5 HD21 ' NE2' ' D' ' 354' ' ' GLN . 10.6 tp -63.95 -45.31 89.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.177 -0.952 . . . . 0.75 109.677 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.72 -43.38 98.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 2.19 109.122 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.67 -31.13 64.11 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.541 -0.724 . . . . 1.34 109.753 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.94 -48.12 72.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.845 . . . . 0.72 109.556 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.689 ' NE2' HD21 ' D' ' 350' ' ' LEU . 2.3 mt-30 -81.87 -5.8 58.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.917 . . . . 1.8 109.642 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.57 -49.19 42.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 1.39 109.622 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.72 6.77 60.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.908 -1.277 . . . . 1.66 109.908 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -86.11 104.37 15.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.099 -1.236 . . . . 4.45 109.476 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.43 109.42 1.23 Allowed Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 6.19 109.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.71 -1.58 6.11 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.052 1.835 . . . . 5.58 110.864 179.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.92 -1.489 . . . . 6.9 109.562 -179.965 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.444 -0.576 . . . . 7.36 109.444 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.26 91.43 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.946 . . . . 7.15 109.379 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.92 84.97 0.2 Allowed Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.178 -0.951 . . . . 6.5 109.046 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.32 -2.84 7.75 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.229 1.953 . . . . 4.5 110.993 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.64 93.18 7.29 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.883 -1.136 . . . . 4.32 109.639 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 1.1 m-20 -83.17 141.31 32.03 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.555 -0.716 . . . . 2.46 109.456 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.77 154.19 53.2 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.18 -1.568 . . . . 0.97 109.18 179.732 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.46 130.25 45.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.164 -1.198 . . . . 1.67 109.262 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 8.5 m-85 -93.16 153.73 18.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.188 -0.945 . . . . 0.61 109.528 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.4 m-85 -139.4 -171.97 3.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.32 -0.863 . . . . 0.56 109.455 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 66.9 p -153.23 160.1 42.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.296 -0.878 . . . . 0.43 109.406 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -147.8 131.24 16.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.237 -0.914 . . . . 0.35 109.635 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.17 132.3 34.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.32 -0.863 . . . . 1.37 109.369 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.528 HD12 ' HD1' ' D' ' 338' ' ' PHE . 65.3 mt -123.5 109.21 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.48 109.506 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 333' ' ' ARG . 0.2 OUTLIER -73.62 116.87 14.71 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 2.08 109.331 179.854 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 128.4 136.58 4.22 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.443 -1.463 . . . . 0.4 109.443 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.2 ttp180 -80.93 -56.95 3.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -1.131 . . . . 2.64 109.72 -179.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.37 -46.7 85.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.279 -0.888 . . . . 2.22 109.673 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.54 -41.67 94.93 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.251 -0.906 . . . . 2.74 109.509 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.528 ' HD1' HD12 ' D' ' 332' ' ' ILE . 43.6 t80 -55.16 -55.58 29.54 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.342 -0.849 . . . . 0.43 109.608 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -52.0 -37.89 54.83 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.368 -0.832 . . . . 1.69 109.971 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -62.81 -46.55 87.44 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.175 -0.953 . . . . 0.43 110.181 -179.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.31 -51.26 69.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.141 -0.975 . . . . 0.27 109.341 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -40.65 59.42 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.429 -0.795 . . . . 2.45 109.756 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.03 -41.2 91.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.237 -0.914 . . . . 1.75 109.745 -179.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.576 HD22 HD22 ' C' ' 344' ' ' LEU . 70.1 mt -62.46 -44.97 95.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.31 109.508 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -58.46 -47.66 83.28 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.96 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -36.92 82.68 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 1.73 110.017 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.869 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.68 -51.77 68.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.244 -0.91 . . . . 0.28 110.065 -179.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.51 -41.39 97.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.31 109.663 -179.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -59.96 -35.72 75.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 1.91 109.587 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.689 HD21 ' NE2' ' C' ' 354' ' ' GLN . 10.6 tp -64.05 -45.32 89.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.43 109.627 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.421 ' HA ' HD22 ' C' ' 350' ' ' LEU . 35.5 ttmt -61.71 -43.25 99.22 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.39 -0.819 . . . . 1.57 109.136 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.83 -31.21 64.51 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.62 -0.675 . . . . 1.44 109.669 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -48.17 72.78 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.267 -0.896 . . . . 0.64 109.637 -179.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' C' ' 350' ' ' LEU . 2.3 mt-30 -81.86 -5.82 58.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.899 . . . . 1.21 109.621 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.59 -49.23 42.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 1.22 109.527 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.73 6.87 60.41 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.909 -1.276 . . . . 1.5 109.909 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -86.18 104.46 15.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -1.158 . . . . 4.18 109.53 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 109.4 1.22 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.351 -0.843 . . . . 5.67 109.559 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.65 -1.69 6.24 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.066 1.844 . . . . 5.65 110.853 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.4 0 N-CA-C 109.473 -1.451 . . . . 7.27 109.473 -179.981 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.398 -0.593 . . . . 7.33 109.398 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 322' ' ' PRO . 0.2 OUTLIER 60.57 -150.77 0.41 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 7.21 109.723 179.743 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.754 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 31.8 ttpt 67.22 39.44 0.22 Allowed Pre-proline 0 N--CA 1.487 1.414 0 O-C-N 121.47 -0.769 . . . . 6.47 111.256 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.754 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 9.6 Cg_endo -75.23 -0.63 10.27 Favored 'Trans proline' 0 C--N 1.325 -0.688 0 C-N-CA 121.443 1.429 . . . . 4.53 110.139 179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.7 mt -83.79 49.04 1.53 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.261 -0.9 . . . . 4.35 110.822 -178.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -80.15 -90.4 0.06 Allowed 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.235 -0.915 . . . . 2.48 108.842 179.239 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.83 151.11 48.82 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.341 -1.504 . . . . 0.98 109.341 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.81 147.44 38.15 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.196 -1.179 . . . . 1.7 109.569 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.19 153.21 17.77 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.249 -0.907 . . . . 0.61 109.766 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.482 ' O ' ' HG3' ' C' ' 331' ' ' GLN . 84.5 m-85 -140.91 -173.57 3.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.58 109.579 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 57.8 p -152.09 157.32 41.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.161 -0.962 . . . . 0.42 109.34 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.7 tp -148.59 131.06 15.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.271 -0.893 . . . . 0.36 109.406 -179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.5 tt0 -85.78 131.88 34.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 1.37 109.2 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.47 HD13 ' CB ' ' A' ' 341' ' ' PHE . 53.4 mt -123.99 115.48 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.962 . . . . 0.47 109.668 -179.832 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.84 149.97 41.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.319 -0.863 . . . . 2.1 109.274 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.84 139.13 10.42 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.6 -1.4 . . . . 0.42 109.6 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.549 ' NH1' ' HG3' ' A' ' 335' ' ' ARG . 1.4 ttm-85 -82.26 -57.47 3.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.237 -1.155 . . . . 2.68 109.324 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.46 -41.34 89.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.406 -0.809 . . . . 2.22 109.647 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.44 -44.34 95.91 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.271 -0.893 . . . . 2.77 109.694 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.79 -53.28 57.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.355 -0.84 . . . . 0.43 109.54 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.98 -37.67 53.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.352 -0.842 . . . . 1.66 109.744 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.415 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 12.7 ttp -63.03 -45.82 90.5 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.18 -0.95 . . . . 0.44 110.115 -179.576 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.47 ' CB ' HD13 ' A' ' 332' ' ' ILE . 23.2 m-85 -61.57 -54.22 45.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.212 -0.93 . . . . 0.29 109.333 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.72 -34.12 25.69 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.403 -0.811 . . . . 2.44 109.5 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 340' ' ' MET . 34.6 tt0 -60.25 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.187 -0.946 . . . . 1.74 109.521 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' B' ' 344' ' ' LEU . 96.2 mt -61.45 -34.5 75.53 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.3 108.903 179.587 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.17 -54.06 51.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.462 -0.774 . . . . 1.22 109.53 179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.23 -31.74 72.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.445 -0.785 . . . . 1.72 109.912 -179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.05 -54.41 45.13 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.185 -0.947 . . . . 0.27 110.045 -179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.16 -42.72 99.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.29 109.696 -179.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.72 -35.46 74.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.286 -0.884 . . . . 1.91 109.595 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.611 HD11 ' NE2' ' B' ' 354' ' ' GLN . 18.6 tp -64.86 -42.03 95.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.332 -0.855 . . . . 0.41 109.366 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 30.3 ttmt -62.64 -50.1 72.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.81 . . . . 1.56 109.089 179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.22 -30.46 64.61 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.601 -0.687 . . . . 1.43 109.805 179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.17 91.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.334 -0.854 . . . . 0.66 109.944 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.67 ' NE2' HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -81.83 -6.84 59.43 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 1.18 109.765 -179.775 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.44 -10.98 60.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.145 -0.972 . . . . 1.23 109.441 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -6.45 83.28 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.688 -1.365 . . . . 1.54 109.688 179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.34 120.7 27.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.106 -1.232 . . . . 4.18 109.333 -179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -50.48 123.49 17.35 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 5.71 109.516 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.68 131.11 34.03 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.048 1.832 . . . . 5.61 110.316 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.966 -1.463 . . . . 7.24 109.597 179.882 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.384 -0.599 . . . . 7.34 109.384 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' B' ' 322' ' ' PRO . 0.2 OUTLIER 60.56 -150.76 0.41 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -0.858 . . . . 7.17 109.763 179.75 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.75 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 31.8 ttpt 67.1 39.55 0.22 Allowed Pre-proline 0 N--CA 1.487 1.409 0 O-C-N 121.374 -0.829 . . . . 6.44 111.296 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.75 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 9.6 Cg_endo -75.23 -0.61 10.25 Favored 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 121.485 1.457 . . . . 4.54 110.118 179.414 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -83.76 48.98 1.52 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.384 -0.822 . . . . 4.32 110.846 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.07 -90.29 0.06 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.27 -0.894 . . . . 2.47 108.847 179.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.17 151.2 48.42 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.219 -1.553 . . . . 0.95 109.219 179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.68 147.36 37.9 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.235 -1.156 . . . . 1.61 109.544 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.18 153.24 17.75 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.24 -0.912 . . . . 0.57 109.79 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.9 m-85 -140.92 -173.5 3.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.34 -0.85 . . . . 0.53 109.549 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.403 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 56.9 p -152.06 157.35 41.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.228 -0.92 . . . . 0.38 109.343 -179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.63 130.99 15.63 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.278 -0.889 . . . . 0.36 109.472 -179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 32.6 tt0 -85.72 131.77 34.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 1.36 109.206 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' B' ' 341' ' ' PHE . 52.3 mt -123.88 115.38 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.117 -0.989 . . . . 0.49 109.792 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.9 149.9 41.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.389 -0.819 . . . . 2.1 109.358 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.09 10.42 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.598 -1.401 . . . . 0.44 109.598 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.535 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 1.4 ttm-85 -82.37 -57.35 3.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.228 -1.16 . . . . 2.72 109.3 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -59.52 -41.43 89.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.399 -0.813 . . . . 2.21 109.65 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.35 -44.24 95.75 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.321 -0.862 . . . . 2.79 109.813 -179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' D' ' 329' ' ' THR . 56.4 t80 -54.92 -53.23 58.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.312 -0.868 . . . . 0.45 109.537 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.96 -37.6 53.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 1.68 109.744 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.413 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 12.8 ttp -63.15 -45.82 90.07 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.223 -0.923 . . . . 0.43 109.984 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.479 ' CB ' HD13 ' B' ' 332' ' ' ILE . 23.3 m-85 -61.68 -54.18 46.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.137 -0.977 . . . . 0.28 109.345 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.67 -34.16 25.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.283 -0.886 . . . . 2.52 109.473 179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 340' ' ' MET . 34.4 tt0 -60.27 -49.25 78.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.167 -0.958 . . . . 1.75 109.483 -179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.533 HD22 HD22 ' A' ' 344' ' ' LEU . 96.1 mt -61.62 -34.34 75.5 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.278 -0.889 . . . . 0.31 108.962 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.12 -54.22 49.53 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.376 -0.828 . . . . 1.21 109.508 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.95 -31.88 73.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.495 -0.753 . . . . 1.69 109.978 -179.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.1 -54.33 45.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.238 -0.914 . . . . 0.27 110.039 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.21 -42.7 99.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.262 -0.899 . . . . 0.3 109.749 -179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.66 -35.67 74.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.271 -0.893 . . . . 1.93 109.577 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.67 HD11 ' NE2' ' A' ' 354' ' ' GLN . 18.6 tp -64.65 -42.11 95.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.317 -0.864 . . . . 0.4 109.393 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 30.3 ttmt -62.59 -50.15 72.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.468 -0.77 . . . . 1.59 109.11 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.24 -30.33 64.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.563 -0.711 . . . . 1.43 109.807 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.22 91.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.65 109.905 -179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.611 ' NE2' HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -81.71 -6.92 59.48 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.142 -0.974 . . . . 1.19 109.753 -179.796 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.37 -11.02 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 1.22 109.475 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -6.43 83.2 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.598 -1.401 . . . . 1.53 109.598 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.34 120.66 27.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.114 -1.227 . . . . 4.21 109.496 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -50.42 123.58 17.32 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.332 -0.855 . . . . 5.68 109.559 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.85 131.26 34.36 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.019 1.813 . . . . 5.57 110.222 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 118.031 -1.427 . . . . 7.2 109.539 179.871 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.396 -0.594 . . . . 8.96 109.396 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' C' ' 322' ' ' PRO . 0.2 OUTLIER 60.64 -150.8 0.41 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.208 -0.932 . . . . 8.15 109.684 179.698 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.748 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 31.8 ttpt 67.06 39.57 0.22 Allowed Pre-proline 0 N--CA 1.487 1.396 0 O-C-N 121.484 -0.76 . . . . 7.15 111.31 -179.285 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.748 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 9.6 Cg_endo -75.2 -0.75 10.4 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.558 1.505 . . . . 4.35 110.041 179.449 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.5 mt -83.69 49.08 1.53 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.273 -0.892 . . . . 4.63 110.883 -178.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.27 -90.28 0.06 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.29 -0.881 . . . . 2.85 108.828 179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.01 151.22 48.73 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.261 -1.536 . . . . 1.12 109.261 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.75 147.35 38.21 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.127 -1.22 . . . . 2.11 109.557 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.2 153.34 17.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.159 -0.963 . . . . 0.64 109.835 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 84.5 m-85 -140.93 -173.58 3.75 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.49 109.59 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 56.6 p -152.04 157.21 41.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.129 -0.982 . . . . 0.47 109.332 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.44 131.13 15.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.285 -0.884 . . . . 0.42 109.47 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.5 tt0 -85.83 131.8 34.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 1.81 109.174 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' C' ' 341' ' ' PHE . 52.8 mt -123.89 115.44 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.42 109.731 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.85 149.93 41.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 2.35 109.341 179.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.96 139.13 10.45 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.619 -1.393 . . . . 0.41 109.619 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 1.4 ttm-85 -82.33 -57.39 3.39 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -1.12 . . . . 2.59 109.324 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -59.57 -41.17 89.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.344 -0.847 . . . . 2.54 109.67 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.65 -44.13 96.79 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.239 -0.913 . . . . 3.39 109.719 -179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -54.94 -53.19 58.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.312 -0.868 . . . . 0.47 109.574 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.99 -37.61 53.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 1.66 109.718 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.414 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 12.7 ttp -63.11 -45.84 90.14 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.281 -0.887 . . . . 0.61 110.089 -179.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.478 ' CB ' HD13 ' C' ' 332' ' ' ILE . 23.4 m-85 -61.49 -54.38 44.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.084 -1.01 . . . . 0.33 109.295 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.71 -34.11 25.53 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.367 -0.833 . . . . 3.28 109.526 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' C' ' 340' ' ' MET . 34.6 tt0 -60.1 -49.47 77.51 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.13 -0.981 . . . . 1.78 109.487 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' D' ' 344' ' ' LEU . 96.1 mt -61.5 -34.47 75.56 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.199 -0.938 . . . . 0.38 108.917 179.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -59.05 -54.17 50.17 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.374 -0.828 . . . . 1.2 109.555 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.09 -31.92 73.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.426 -0.796 . . . . 2.12 109.971 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -54.4 45.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.174 -0.954 . . . . 0.26 110.029 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.0 mt -61.16 -42.75 99.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.308 -0.87 . . . . 0.4 109.713 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.52 74.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 2.09 109.644 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.493 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 18.7 tp -64.96 -41.9 95.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.376 -0.828 . . . . 0.75 109.359 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.68 -49.97 73.02 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 2.19 109.08 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -57.41 -30.43 64.95 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.618 -0.676 . . . . 1.34 109.754 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -41.21 91.37 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -0.867 . . . . 0.72 109.954 -179.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -81.72 -6.95 59.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.217 -0.927 . . . . 1.8 109.7 -179.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.92 60.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.178 -0.952 . . . . 1.39 109.48 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.66 -6.46 83.06 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.644 -1.383 . . . . 1.66 109.644 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 120.67 27.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.161 -1.2 . . . . 4.45 109.482 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -50.44 123.54 17.32 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.215 -0.928 . . . . 6.19 109.498 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.84 131.1 33.65 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.0 1.8 . . . . 5.58 110.34 179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.98 -1.456 . . . . 6.9 109.607 179.895 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.383 -0.599 . . . . 7.36 109.383 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' D' ' 322' ' ' PRO . 0.2 OUTLIER 60.54 -150.86 0.41 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 7.15 109.778 179.784 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.743 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 31.8 ttpt 67.24 39.41 0.22 Allowed Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 121.439 -0.788 . . . . 6.5 111.246 -179.295 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.743 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 9.5 Cg_endo -75.16 -0.52 10.12 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.409 1.406 . . . . 4.5 110.161 179.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.82 49.01 1.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.394 -0.817 . . . . 4.32 110.828 -178.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -80.17 -90.29 0.06 Allowed 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.303 -0.873 . . . . 2.46 108.798 179.281 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.11 151.22 48.55 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.201 -1.56 . . . . 0.97 109.201 179.553 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.76 147.34 38.3 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.191 -1.182 . . . . 1.67 109.599 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -95.04 153.31 17.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.276 -0.89 . . . . 0.61 109.788 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.2 m-85 -141.01 -173.59 3.76 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.34 -0.85 . . . . 0.56 109.577 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 57.0 p -152.04 157.37 41.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.43 109.266 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.8 tp -148.61 131.09 15.74 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.19 -0.944 . . . . 0.35 109.438 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -85.8 131.8 34.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.247 -0.908 . . . . 1.37 109.181 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.482 HD13 ' CB ' ' D' ' 341' ' ' PHE . 52.4 mt -123.88 115.38 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.48 109.828 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.8 150.0 41.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.928 . . . . 2.08 109.356 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.77 139.14 10.41 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.625 -1.39 . . . . 0.4 109.625 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.4 ttm-85 -82.3 -57.5 3.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -1.071 . . . . 2.64 109.285 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -59.44 -41.47 89.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 2.22 109.621 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -60.33 -44.38 95.54 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.252 -0.905 . . . . 2.74 109.652 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.2 t80 -54.83 -53.4 55.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.339 -0.851 . . . . 0.43 109.499 -179.831 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -51.76 -37.73 52.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 1.69 109.786 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 12.6 ttp -63.05 -45.85 90.25 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.24 -0.913 . . . . 0.43 110.106 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.482 ' CB ' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.57 -54.34 44.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.972 . . . . 0.27 109.324 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -50.56 -34.2 24.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.395 -0.816 . . . . 2.45 109.529 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' D' ' 340' ' ' MET . 34.7 tt0 -60.15 -49.39 77.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 1.75 109.52 -179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' C' ' 344' ' ' LEU . 96.1 mt -61.58 -34.35 75.46 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.164 -0.96 . . . . 0.31 108.899 179.669 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.15 -54.12 50.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.471 -0.768 . . . . 1.22 109.54 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.01 -32.0 73.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.484 -0.76 . . . . 1.73 109.936 -179.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.686 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.92 -54.36 45.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.166 -0.959 . . . . 0.28 110.106 -179.571 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.23 -42.76 99.17 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.291 -0.881 . . . . 0.31 109.651 -179.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.64 -35.51 74.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.154 -0.966 . . . . 1.91 109.619 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.66 HD21 ' NE2' ' C' ' 354' ' ' GLN . 18.8 tp -64.88 -41.96 95.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.314 -0.866 . . . . 0.43 109.308 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.493 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 30.3 ttmt -62.67 -50.02 72.81 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.462 -0.774 . . . . 1.57 109.086 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.3 -30.42 64.72 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.616 -0.677 . . . . 1.44 109.757 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.16 90.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.348 -0.845 . . . . 0.64 109.861 -179.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.7 -6.87 59.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -0.88 . . . . 1.21 109.709 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -10.99 60.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.22 109.412 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.63 -6.48 83.13 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.62 -1.392 . . . . 1.5 109.62 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.35 120.67 27.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -1.115 . . . . 4.18 109.521 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.48 123.53 17.44 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.277 -0.889 . . . . 5.67 109.564 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.83 131.29 34.55 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.003 1.802 . . . . 5.65 110.239 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.979 -1.456 . . . . 7.27 109.584 179.88 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.419 -0.586 . . . . 7.33 109.419 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt 62.65 116.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 7.21 109.437 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 11.7 tttp 59.8 71.7 0.87 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.211 -0.931 . . . . 6.47 109.3 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.55 -81.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.245 1.963 . . . . 4.53 110.563 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -82.12 109.02 16.05 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.135 -0.978 . . . . 4.35 109.825 -179.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.401 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 2.8 m-20 -81.2 -134.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.243 -0.911 . . . . 2.48 109.195 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.98 166.55 43.8 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.501 -1.44 . . . . 0.98 109.501 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -58.46 127.2 30.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -1.124 . . . . 1.7 109.84 -179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 34.5 m-85 -94.56 155.84 16.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.326 -0.859 . . . . 0.61 109.361 179.764 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 75.8 m-85 -140.82 136.37 32.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -0.9 . . . . 0.58 109.301 179.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.7 p -91.96 171.53 9.06 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.402 -0.811 . . . . 0.42 109.931 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 330' ' ' LEU . 23.5 tp -148.96 132.39 16.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.316 -0.865 . . . . 0.36 109.345 179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.48 122.36 31.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.385 -0.822 . . . . 1.37 109.774 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 341' ' ' PHE . 27.9 mt -124.01 109.75 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.249 -0.907 . . . . 0.47 109.402 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 1.8 tmt_? -72.99 147.24 45.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.258 -0.901 . . . . 2.1 109.754 -179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 95.73 131.4 6.62 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.913 -1.275 . . . . 0.42 109.913 179.748 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 6.0 ttm180 -79.6 -49.56 12.0 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.263 -1.139 . . . . 2.68 109.313 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.27 -47.21 86.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 2.22 109.323 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.722 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.0 tpp180 -62.51 -42.47 99.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.282 -0.886 . . . . 2.77 109.165 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.428 ' CG ' ' HB2' ' C' ' 328' ' ' PHE . 20.8 t80 -54.26 -48.94 70.63 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.33 -0.856 . . . . 0.43 109.289 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.82 -37.61 60.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.27 -0.894 . . . . 1.66 109.766 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.8 ttp -62.68 -46.71 86.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.172 -0.955 . . . . 0.44 110.06 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.6 m-85 -60.99 -50.9 71.51 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 0.29 109.452 -179.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.08 -38.59 52.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.826 . . . . 2.44 109.721 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.23 -50.98 71.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 1.74 109.899 -179.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 348' ' ' LEU . 84.5 mt -61.31 -33.87 74.3 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.185 -0.947 . . . . 0.3 109.209 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.05 -53.52 56.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.386 -0.821 . . . . 1.22 109.742 179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.04 82.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.392 -0.818 . . . . 1.72 110.235 -179.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.92 -50.26 74.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.176 -0.952 . . . . 0.27 109.954 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.76 HD22 ' NH1' ' C' ' 337' ' ' ARG . 36.2 mt -62.17 -45.99 90.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.418 -0.801 . . . . 0.29 109.525 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.49 -31.79 69.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 1.91 109.589 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.667 HD11 ' NE2' ' B' ' 354' ' ' GLN . 14.8 tp -64.77 -47.36 78.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.251 -0.905 . . . . 0.41 109.365 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.89 -48.87 78.53 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.457 -0.777 . . . . 1.56 109.128 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.7 -32.35 65.38 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.613 -0.68 . . . . 1.43 109.639 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -37.3 84.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.288 -0.882 . . . . 0.66 109.505 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.543 ' NE2' HD11 ' B' ' 350' ' ' LEU . 9.0 mt-30 -82.73 -7.53 59.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 1.18 109.506 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.19 -25.22 61.59 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.159 -0.963 . . . . 1.23 109.428 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.99 87.39 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.623 -1.391 . . . . 1.54 109.623 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.67 121.55 29.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.113 -1.228 . . . . 4.18 109.539 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 359' ' ' PRO . 17.0 mt-10 -50.92 164.9 0.4 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 5.71 109.476 179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 358' ' ' GLU . 1.2 Cg_endo -67.2 -1.03 5.61 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.215 1.943 . . . . 5.61 110.8 179.617 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.403 -1.479 . . . . 7.24 109.403 -179.956 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.306 0.574 . . . . 7.34 109.511 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.74 116.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.258 -0.901 . . . . 7.17 109.446 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 11.6 tttp 59.87 71.55 0.88 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.165 -0.959 . . . . 6.44 109.34 -179.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.45 -81.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.217 1.944 . . . . 4.54 110.574 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 27.8 mt -82.06 108.99 15.98 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.176 -0.953 . . . . 4.32 109.828 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 2.8 m-20 -81.43 -135.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.166 -0.959 . . . . 2.47 108.988 179.651 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.73 166.59 39.3 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.495 -1.442 . . . . 0.95 109.495 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -58.6 127.34 31.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.217 -1.167 . . . . 1.61 109.742 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 34.9 m-85 -94.68 155.87 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.328 -0.858 . . . . 0.57 109.368 179.693 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.522 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 75.8 m-85 -140.83 136.3 32.27 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 0.53 109.331 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.94 171.72 8.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.328 -0.857 . . . . 0.38 109.838 -179.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' B' ' 330' ' ' LEU . 23.4 tp -149.14 132.25 16.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.336 -0.852 . . . . 0.36 109.389 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.33 122.44 31.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 1.36 109.83 -179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' B' ' 341' ' ' PHE . 28.0 mt -124.14 109.57 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.372 -0.83 . . . . 0.49 109.291 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 1.8 tmt_? -72.95 147.19 45.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 2.1 109.703 -179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.413 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 95.8 131.35 6.62 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.83 -1.308 . . . . 0.44 109.83 179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.516 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 6.0 ttm180 -79.48 -49.7 11.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -1.175 . . . . 2.72 109.268 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -59.1 -47.31 85.74 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.288 -0.882 . . . . 2.21 109.417 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.782 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.0 tpp180 -62.52 -42.35 99.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.282 -0.886 . . . . 2.79 109.215 179.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.425 ' CG ' ' HB2' ' D' ' 328' ' ' PHE . 20.6 t80 -54.32 -48.92 70.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.852 . . . . 0.45 109.3 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.74 -37.56 59.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 1.68 109.84 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.79 -46.67 86.92 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.27 -0.894 . . . . 0.43 110.024 -179.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.428 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.4 m-85 -61.01 -50.83 71.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.197 -0.939 . . . . 0.28 109.398 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.23 -38.53 53.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.291 -0.881 . . . . 2.52 109.734 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -50.96 72.04 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.19 -0.944 . . . . 1.75 109.882 -179.681 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.471 HD23 HD21 ' A' ' 348' ' ' LEU . 84.9 mt -61.35 -33.8 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.164 -0.96 . . . . 0.31 109.218 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.1 -53.59 56.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.843 . . . . 1.21 109.683 179.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.99 -36.18 82.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.69 110.194 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -50.07 75.19 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.168 -0.958 . . . . 0.27 110.049 -179.529 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.787 HD22 ' NH1' ' D' ' 337' ' ' ARG . 35.2 mt -62.09 -46.07 90.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.895 . . . . 0.3 109.61 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.81 69.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.34 -0.85 . . . . 1.93 109.581 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.543 HD11 ' NE2' ' A' ' 354' ' ' GLN . 14.7 tp -64.78 -47.47 78.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -0.87 . . . . 0.4 109.294 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -61.88 -48.79 78.91 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.389 -0.82 . . . . 1.59 109.134 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.72 -32.43 65.51 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.673 -0.642 . . . . 1.43 109.682 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.21 83.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.321 -0.862 . . . . 0.65 109.609 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.667 ' NE2' HD11 ' A' ' 350' ' ' LEU . 9.2 mt-30 -82.65 -7.67 59.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.246 -0.909 . . . . 1.19 109.619 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.13 -25.27 61.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.114 -0.991 . . . . 1.22 109.417 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 -3.0 87.42 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.731 -1.348 . . . . 1.53 109.731 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.6 121.43 29.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.187 -1.184 . . . . 4.21 109.606 -179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.414 ' HB3' ' HD2' ' B' ' 359' ' ' PRO . 16.9 mt-10 -50.97 165.01 0.4 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 5.68 109.515 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' B' ' 358' ' ' GLU . 1.2 Cg_endo -67.24 -0.97 5.55 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.31 2.007 . . . . 5.57 110.736 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.44 . . . . 7.2 109.499 -179.877 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.468 -0.567 . . . . 8.96 109.468 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.72 116.28 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 8.15 109.429 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 11.8 tttp 59.85 71.68 0.87 Allowed Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 7.15 109.262 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -61.51 -81.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.23 1.953 . . . . 4.35 110.545 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 28.0 mt -82.17 109.02 16.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.168 -0.958 . . . . 4.63 109.755 -179.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 2.8 m-20 -81.23 -134.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.297 -0.877 . . . . 2.85 109.171 179.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.416 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -67.62 166.6 42.48 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.49 -1.444 . . . . 1.12 109.49 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -58.57 127.27 31.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -1.156 . . . . 2.11 109.806 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 34.5 m-85 -94.6 155.79 16.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.381 -0.824 . . . . 0.64 109.387 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -140.78 136.36 32.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.49 109.165 179.332 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -91.95 171.58 9.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.399 -0.813 . . . . 0.47 109.889 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' C' ' 330' ' ' LEU . 23.4 tp -149.0 132.34 16.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.373 -0.829 . . . . 0.42 109.376 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.32 30.98 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.345 -0.847 . . . . 1.81 109.816 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.414 HG21 ' CD2' ' C' ' 341' ' ' PHE . 27.8 mt -123.91 109.77 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.252 -0.905 . . . . 0.42 109.339 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 1.8 tmt_? -72.98 147.18 45.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 2.35 109.733 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.411 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 95.7 131.39 6.61 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.812 -1.315 . . . . 0.41 109.812 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 6.0 ttm180 -79.57 -49.56 12.02 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.319 -1.106 . . . . 2.59 109.256 179.79 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -59.29 -47.32 85.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 2.54 109.335 179.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.76 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.0 tpp180 -62.44 -42.42 99.44 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.262 -0.899 . . . . 3.39 109.273 179.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CG ' ' HB2' ' A' ' 328' ' ' PHE . 20.4 t80 -54.29 -48.92 70.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.337 -0.852 . . . . 0.47 109.307 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.73 -37.51 59.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.222 -0.924 . . . . 1.66 109.856 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.86 -46.66 86.85 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.169 -0.957 . . . . 0.61 109.987 -179.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 21.6 m-85 -61.02 -50.82 71.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.159 -0.963 . . . . 0.33 109.457 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -51.19 -38.49 52.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 3.28 109.732 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.25 -50.96 72.0 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.039 -1.038 . . . . 1.78 109.933 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.493 HD23 HD21 ' D' ' 348' ' ' LEU . 84.7 mt -61.24 -33.92 74.3 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.189 -0.944 . . . . 0.38 109.187 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -60.09 -53.55 56.49 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.408 -0.807 . . . . 1.2 109.641 179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -36.07 82.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.314 -0.866 . . . . 2.12 110.256 -179.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -50.17 74.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.26 110.013 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.722 HD22 ' NH1' ' A' ' 337' ' ' ARG . 35.7 mt -62.06 -46.06 90.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.334 -0.854 . . . . 0.4 109.617 -179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.42 -31.88 69.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.223 -0.923 . . . . 2.09 109.519 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.579 HD11 ' NE2' ' D' ' 354' ' ' GLN . 14.7 tp -64.76 -47.37 78.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 0.75 109.335 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.85 -48.89 78.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.448 -0.782 . . . . 2.19 109.149 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.65 -32.43 65.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.507 -0.746 . . . . 1.34 109.621 179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.34 84.21 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.274 -0.891 . . . . 0.72 109.46 -179.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.636 ' NE2' HD11 ' D' ' 350' ' ' LEU . 9.0 mt-30 -82.78 -7.45 59.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.929 . . . . 1.8 109.569 -179.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.3 -25.16 61.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 1.39 109.432 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.99 87.38 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.703 -1.359 . . . . 1.66 109.703 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.64 121.45 29.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -1.135 . . . . 4.45 109.603 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.408 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 17.0 mt-10 -50.89 164.91 0.4 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.235 -0.916 . . . . 6.19 109.483 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 1.2 Cg_endo -67.28 -0.98 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 122.187 1.924 . . . . 5.58 110.829 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.444 -1.462 . . . . 6.9 109.444 -179.964 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 15.0 mttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.44 -0.578 . . . . 7.36 109.44 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 62.57 116.47 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 7.15 109.457 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 11.7 tttp 59.81 71.71 0.86 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 6.5 109.178 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.62 -81.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.219 1.946 . . . . 4.5 110.498 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -82.08 109.01 16.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 4.32 109.786 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -81.27 -134.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 2.46 109.132 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.74 166.67 42.8 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.567 -1.413 . . . . 0.97 109.567 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -58.54 127.28 31.35 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.298 -1.119 . . . . 1.67 109.832 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 35.2 m-85 -94.54 155.85 16.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.61 109.413 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 76.4 m-85 -140.89 136.36 32.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.56 109.271 179.226 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.3 p -91.91 171.75 8.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.353 -0.842 . . . . 0.43 109.864 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' D' ' 330' ' ' LEU . 23.5 tp -149.21 132.3 16.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 0.35 109.39 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -87.39 122.47 31.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.176 -0.953 . . . . 1.37 109.774 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' D' ' 341' ' ' PHE . 28.1 mt -124.07 109.55 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.253 -0.904 . . . . 0.48 109.303 179.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 1.9 tmt_? -72.82 147.04 45.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.193 -0.942 . . . . 2.08 109.793 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.414 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 95.86 131.4 6.66 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.739 -1.344 . . . . 0.4 109.739 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 6.0 ttm180 -79.53 -49.48 12.18 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.214 -1.168 . . . . 2.64 109.354 179.723 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.3 -47.33 85.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.351 -0.843 . . . . 2.22 109.317 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.787 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.0 tpp180 -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.218 -0.926 . . . . 2.74 109.256 179.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.432 ' CG ' ' HB2' ' B' ' 328' ' ' PHE . 20.4 t80 -54.38 -48.9 70.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.43 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.69 -37.67 59.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.205 -0.934 . . . . 1.69 109.77 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.9 ttp -62.78 -46.67 86.93 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.22 -0.925 . . . . 0.43 110.054 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.415 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.8 m-85 -60.97 -50.82 71.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.27 109.425 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -51.32 -38.39 52.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.812 . . . . 2.45 109.695 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.98 71.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.106 -0.996 . . . . 1.75 109.848 -179.722 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.542 HD23 HD21 ' C' ' 348' ' ' LEU . 84.8 mt -61.3 -33.92 74.37 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.092 -1.005 . . . . 0.31 109.209 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -60.07 -53.55 56.5 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.422 -0.799 . . . . 1.22 109.672 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 -35.94 81.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.407 -0.808 . . . . 1.73 110.309 -179.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.688 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.01 -50.22 74.57 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.28 109.9 -179.554 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.782 HD22 ' NH1' ' B' ' 337' ' ' ARG . 35.3 mt -62.05 -46.08 90.73 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.361 -0.837 . . . . 0.31 109.579 -179.732 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -59.53 -31.74 69.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 1.91 109.558 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.636 HD11 ' NE2' ' C' ' 354' ' ' GLN . 14.7 tp -64.84 -47.37 78.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.339 -0.851 . . . . 0.43 109.344 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -61.74 -49.04 78.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.776 . . . . 1.57 109.145 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.63 -32.33 65.23 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.557 -0.714 . . . . 1.44 109.766 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.22 83.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -0.88 . . . . 0.64 109.572 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.579 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.1 mt-30 -82.63 -7.58 59.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.183 -0.948 . . . . 1.21 109.683 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -25.07 61.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.128 -0.982 . . . . 1.22 109.422 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 -2.99 87.2 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.683 -1.367 . . . . 1.5 109.683 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.55 121.47 29.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -1.151 . . . . 4.18 109.662 -179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.406 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 17.0 mt-10 -50.91 164.95 0.4 Allowed Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.367 -0.833 . . . . 5.67 109.504 179.859 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 1.2 Cg_endo -67.45 -0.86 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.18 1.92 . . . . 5.65 110.776 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.411 -1.476 . . . . 7.27 109.411 179.887 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.284 0.564 . . . . 7.33 109.56 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 321' ' ' LYS . 8.0 tttt 65.0 12.0 7.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.881 . . . . 7.21 109.698 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.6 OUTLIER 61.8 138.32 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.257 -0.902 . . . . 6.47 109.649 179.876 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.18 127.28 18.88 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.084 1.856 . . . . 4.53 110.27 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 9.9 mt -81.13 107.39 13.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 4.35 109.45 179.637 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.19 -157.99 0.19 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.323 -0.861 . . . . 2.48 109.508 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.67 163.0 50.15 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.514 -1.435 . . . . 0.98 109.514 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.59 140.72 53.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.19 -1.183 . . . . 1.7 109.522 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -93.28 157.12 16.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.61 109.437 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -140.16 -169.65 2.79 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.141 -0.975 . . . . 0.58 109.771 -179.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.5 p -153.29 157.46 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 0.42 109.507 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' C' ' 345' ' ' ASN . 11.0 tp -149.31 131.13 15.12 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.218 -0.926 . . . . 0.36 109.48 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -87.24 129.12 35.1 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 1.37 109.566 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' CB ' ' A' ' 341' ' ' PHE . 40.3 mt -123.97 119.04 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.13 -0.981 . . . . 0.47 109.458 179.811 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.11 149.53 41.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 2.1 109.659 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.46 133.27 7.3 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.982 -1.247 . . . . 0.42 109.982 179.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 19.0 ttp180 -79.15 -59.88 2.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.25 -1.147 . . . . 2.68 109.31 179.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 25.1 pt-20 -58.6 -41.39 85.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.365 -0.835 . . . . 2.22 109.175 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.7 ttp180 -60.91 -45.73 93.48 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.415 -0.803 . . . . 2.77 109.368 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -55.48 -49.28 72.93 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.43 109.638 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.99 44.94 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 1.66 110.108 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.4 ttp -62.76 -46.03 89.93 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.044 -1.035 . . . . 0.44 110.039 -179.332 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.653 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 22.3 m-85 -61.5 -48.85 79.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.137 -0.977 . . . . 0.29 109.33 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -42.98 59.5 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.4 -0.813 . . . . 2.44 109.551 179.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.21 -40.9 87.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.191 -0.943 . . . . 1.74 109.8 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.422 HD22 HD22 ' B' ' 344' ' ' LEU . 71.9 mt -62.62 -45.83 91.07 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.203 -0.936 . . . . 0.3 109.46 -179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' C' ' 330' ' ' LEU . 55.1 t30 -57.91 -45.01 87.16 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 1.22 109.789 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.42 -38.37 89.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.295 -0.878 . . . . 1.72 109.839 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.34 -49.24 78.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.25 -0.906 . . . . 0.27 109.784 -179.762 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.628 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 17.5 mt -61.9 -42.32 98.94 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.29 109.825 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.86 -37.3 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 1.91 109.856 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.591 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.14 -49.18 73.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.219 -0.925 . . . . 0.41 109.315 -179.589 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.89 79.21 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.787 -0.819 . . . . 1.56 108.787 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -59.77 -38.23 81.24 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.599 -0.688 . . . . 1.43 109.375 179.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -23.92 66.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.499 -0.751 . . . . 0.66 109.549 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.623 ' NE2' HD11 ' B' ' 350' ' ' LEU . 6.3 mt-30 -80.39 -49.95 10.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.195 -0.94 . . . . 1.18 109.323 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.35 -5.87 35.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 1.23 109.558 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.6 2.24 73.84 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.652 -1.379 . . . . 1.54 109.652 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.37 108.64 18.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.177 -1.19 . . . . 4.18 109.585 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.549 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 2.0 mt-10 -49.95 -56.0 20.34 Favored Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.16 -0.962 . . . . 5.71 109.658 179.753 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.1 Cg_endo -62.1 146.93 95.95 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.843 1.696 . . . . 5.61 110.185 179.862 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 CA-C-O 118.004 -1.442 . . . . 7.24 109.617 179.977 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.538 -0.541 . . . . 7.34 109.538 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 321' ' ' LYS . 8.0 tttt 64.93 11.97 7.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.288 -0.882 . . . . 7.17 109.704 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.6 OUTLIER 61.88 138.28 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.142 -0.974 . . . . 6.44 109.621 179.796 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.25 127.23 18.7 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 C-N-CA 122.089 1.859 . . . . 4.54 110.335 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.09 107.34 13.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.197 -0.939 . . . . 4.32 109.379 179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.06 -158.22 0.2 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 2.47 109.523 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.28 162.98 49.06 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.558 -1.417 . . . . 0.95 109.558 179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.67 140.83 54.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.2 -1.177 . . . . 1.61 109.47 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 22.8 m-85 -93.4 157.23 16.33 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.884 . . . . 0.57 109.36 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.7 m-85 -140.18 -169.7 2.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.203 -0.936 . . . . 0.53 109.726 -179.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.42 HG23 ' O ' ' B' ' 328' ' ' PHE . 1.4 p -153.34 157.46 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.247 -0.908 . . . . 0.38 109.43 -179.739 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.0 tp -149.18 131.14 15.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.36 109.54 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 32.3 tt0 -87.31 129.16 35.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.313 -0.867 . . . . 1.36 109.513 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' B' ' 341' ' ' PHE . 39.7 mt -123.88 118.97 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.49 109.493 179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.06 149.52 41.11 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.314 -0.866 . . . . 2.1 109.731 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 133.35 7.34 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.908 -1.277 . . . . 0.44 109.908 179.673 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 19.1 ttp180 -79.18 -59.95 2.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -1.125 . . . . 2.72 109.366 179.723 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 25.1 pt-20 -58.57 -41.31 85.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.344 -0.847 . . . . 2.21 109.209 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.7 ttp180 -60.95 -45.72 93.59 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.308 -0.87 . . . . 2.79 109.417 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.55 -49.29 73.07 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.45 109.592 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.93 44.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.212 -0.93 . . . . 1.68 110.11 -179.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.2 ttp -62.82 -46.04 89.8 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.09 -1.006 . . . . 0.43 110.0 -179.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.697 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 22.3 m-85 -61.4 -48.94 78.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.18 -0.95 . . . . 0.28 109.348 -179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -42.92 58.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.382 -0.824 . . . . 2.52 109.658 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.37 -40.88 87.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.158 -0.964 . . . . 1.75 109.748 -179.699 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 344' ' ' LEU . 71.8 mt -62.53 -45.81 91.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.31 109.552 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.43 ' HB2' HD21 ' D' ' 330' ' ' LEU . 55.0 t30 -57.88 -45.15 86.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.322 -0.861 . . . . 1.21 109.753 -179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.26 -38.41 89.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.24 -0.912 . . . . 1.69 109.877 -179.643 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -49.26 78.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.266 -0.896 . . . . 0.27 109.717 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.668 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 17.5 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.322 -0.861 . . . . 0.3 109.787 -179.66 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.95 -37.31 81.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.337 -0.852 . . . . 1.93 109.792 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.623 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.1 tt -64.23 -49.02 73.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.31 -0.869 . . . . 0.4 109.289 -179.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 35.3 ttmt -60.4 -37.05 79.59 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.265 -0.897 . . . . 1.59 108.891 179.654 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.62 -38.15 80.53 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.604 -0.685 . . . . 1.43 109.456 179.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.81 -24.03 66.12 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.448 -0.782 . . . . 0.65 109.537 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.528 ' NE2' HD11 ' A' ' 350' ' ' LEU . 6.3 mt-30 -80.42 -49.81 10.95 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.362 -0.836 . . . . 1.19 109.371 179.895 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.24 -6.04 36.71 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.335 -0.853 . . . . 1.22 109.618 179.805 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.5 2.14 73.77 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.652 -1.379 . . . . 1.53 109.652 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.13 108.6 18.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -1.129 . . . . 4.21 109.579 -179.825 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.554 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 2.0 mt-10 -50.1 -55.98 20.91 Favored Pre-proline 0 N--CA 1.488 1.44 0 O-C-N 121.169 -0.957 . . . . 5.68 109.517 179.769 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 2.2 Cg_endo -62.07 146.95 95.97 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 121.855 1.703 . . . . 5.57 110.129 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 CA-C-O 118.035 -1.425 . . . . 7.2 109.559 179.928 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.272 0.558 . . . . 8.96 109.552 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 321' ' ' LYS . 8.0 tttt 64.89 12.1 7.52 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 8.15 109.703 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.6 OUTLIER 61.8 138.31 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.241 -0.912 . . . . 7.15 109.617 179.768 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.14 127.27 18.9 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 121.971 1.781 . . . . 4.35 110.372 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 10.0 mt -81.11 107.3 13.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 4.63 109.426 179.738 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.12 -158.02 0.19 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 2.85 109.518 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 162.94 49.94 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.51 -1.436 . . . . 1.12 109.51 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.62 140.79 53.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -1.224 . . . . 2.11 109.522 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 22.7 m-85 -93.43 157.21 16.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.64 109.412 179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.3 m-85 -140.14 -169.73 2.81 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.15 -0.969 . . . . 0.49 109.8 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.403 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.4 p -153.42 157.45 39.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -0.917 . . . . 0.47 109.482 -179.746 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 345' ' ' ASN . 11.1 tp -149.18 131.12 15.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.121 -0.987 . . . . 0.42 109.555 -179.715 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -87.3 129.11 35.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.858 . . . . 1.81 109.483 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.409 HD13 ' CB ' ' C' ' 341' ' ' PHE . 40.1 mt -123.95 118.96 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.42 109.499 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -73.97 149.45 41.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.366 -0.834 . . . . 2.35 109.773 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.53 133.36 7.35 Favored Glycine 0 N--CA 1.492 2.416 0 N-CA-C 109.967 -1.253 . . . . 0.41 109.967 179.641 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 19.0 ttp180 -79.32 -59.81 2.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.329 -1.101 . . . . 2.59 109.261 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 25.1 pt-20 -58.63 -41.41 85.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 2.54 109.185 179.772 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.7 ttp180 -60.77 -45.86 92.71 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.364 -0.835 . . . . 3.39 109.36 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -55.45 -49.34 72.72 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.398 -0.814 . . . . 0.47 109.624 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.72 -37.98 44.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 1.66 110.106 -179.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.69 -46.17 89.37 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.146 -0.971 . . . . 0.61 110.02 -179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.628 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.4 -48.91 79.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.104 -0.997 . . . . 0.33 109.29 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -42.83 59.19 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.407 -0.808 . . . . 3.28 109.6 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -59.35 -40.91 87.91 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.254 -0.904 . . . . 1.78 109.727 -179.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' D' ' 344' ' ' LEU . 71.9 mt -62.51 -45.88 90.99 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.38 109.493 -179.881 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.421 ' HB2' HD21 ' A' ' 330' ' ' LEU . 55.0 t30 -57.92 -45.06 87.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.88 . . . . 1.2 109.767 -179.898 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.24 -38.51 89.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.239 -0.913 . . . . 2.12 109.919 -179.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.39 -49.24 78.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.243 -0.911 . . . . 0.26 109.746 -179.722 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.653 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 17.4 mt -61.86 -42.3 98.88 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.335 -0.853 . . . . 0.4 109.81 -179.687 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.97 -37.44 82.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 2.09 109.735 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.629 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.1 tt -64.02 -49.04 73.98 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.75 109.384 -179.597 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 35.3 ttmt -60.51 -36.94 79.57 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.33 -0.856 . . . . 2.19 108.862 179.708 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.71 -38.13 80.77 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.549 -0.719 . . . . 1.34 109.322 179.656 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.79 -24.17 66.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.409 -0.807 . . . . 0.72 109.47 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.506 ' NE2' HD11 ' D' ' 350' ' ' LEU . 6.3 mt-30 -80.26 -49.95 10.89 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.8 109.333 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.26 -6.01 36.47 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.252 -0.905 . . . . 1.39 109.531 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.61 2.3 73.6 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.651 -1.379 . . . . 1.66 109.651 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.23 108.5 18.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.187 -1.184 . . . . 4.45 109.635 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.547 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 2.0 mt-10 -50.01 -55.97 20.75 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.266 -0.896 . . . . 6.19 109.574 179.804 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.2 Cg_endo -62.02 146.96 96.01 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.821 1.681 . . . . 5.58 110.211 179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.477 -1.449 . . . . 6.9 109.477 179.872 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.531 -0.544 . . . . 7.36 109.531 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' D' ' 321' ' ' LYS . 8.0 tttt 64.89 12.05 7.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.293 -0.88 . . . . 7.15 109.7 179.876 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.6 OUTLIER 61.76 138.35 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.261 -0.899 . . . . 6.5 109.674 179.893 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.22 127.32 18.94 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 121.977 1.785 . . . . 4.5 110.345 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 10.1 mt -81.15 107.46 13.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -0.923 . . . . 4.32 109.289 179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -81.24 -158.0 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -0.874 . . . . 2.46 109.562 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 162.99 49.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.603 -1.399 . . . . 0.97 109.603 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.65 140.77 54.04 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -1.144 . . . . 1.67 109.475 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -93.34 157.21 16.35 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.282 -0.887 . . . . 0.61 109.442 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.6 m-85 -140.18 -169.84 2.84 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.975 . . . . 0.56 109.801 -179.795 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 1.4 p -153.23 157.43 40.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.179 -0.951 . . . . 0.43 109.464 -179.703 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.0 tp -149.25 131.07 15.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.35 109.541 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.15 129.07 35.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.27 -0.894 . . . . 1.37 109.54 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.414 HD13 ' CB ' ' D' ' 341' ' ' PHE . 40.3 mt -123.93 119.0 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.192 -0.943 . . . . 0.48 109.458 179.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -74.05 149.56 41.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 2.08 109.677 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.5 133.27 7.31 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.994 -1.243 . . . . 0.4 109.994 179.634 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 19.1 ttp180 -79.17 -59.93 2.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.262 -1.14 . . . . 2.64 109.345 179.749 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 25.1 pt-20 -58.51 -41.41 85.34 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 2.22 109.163 179.806 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.527 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.7 ttp180 -60.89 -45.85 92.97 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.389 -0.819 . . . . 2.74 109.393 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -55.45 -49.28 72.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.403 -0.81 . . . . 0.43 109.652 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.73 -37.89 44.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.213 -0.929 . . . . 1.69 110.14 -179.57 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.8 -46.13 89.39 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.052 -1.03 . . . . 0.43 109.988 -179.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.668 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 22.3 m-85 -61.43 -48.9 79.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.098 -1.001 . . . . 0.27 109.288 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -42.74 60.37 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.309 -0.869 . . . . 2.45 109.658 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -59.34 -40.86 87.69 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.207 -0.933 . . . . 1.75 109.801 -179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.496 HD22 HD22 ' C' ' 344' ' ' LEU . 72.2 mt -62.5 -45.93 90.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.109 -0.995 . . . . 0.31 109.563 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' B' ' 330' ' ' LEU . 54.9 t30 -57.91 -45.0 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.331 -0.856 . . . . 1.22 109.817 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.34 -38.38 89.28 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.366 -0.834 . . . . 1.73 109.825 -179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.45 -49.22 78.45 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.28 109.691 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.697 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 17.5 mt -61.83 -42.42 99.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.368 -0.832 . . . . 0.31 109.801 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.78 -37.45 81.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 1.91 109.861 -179.837 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.604 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.19 -49.04 73.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -0.89 . . . . 0.43 109.35 -179.532 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.42 -36.93 79.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.341 -0.849 . . . . 1.57 108.812 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -59.69 -38.15 80.75 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.528 -0.733 . . . . 1.44 109.419 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.8 -24.12 66.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.461 -0.775 . . . . 0.64 109.504 -179.831 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.629 ' NE2' HD11 ' C' ' 350' ' ' LEU . 6.3 mt-30 -80.28 -49.98 10.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.229 -0.92 . . . . 1.21 109.401 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.18 -6.02 36.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.236 -0.915 . . . . 1.22 109.598 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.48 2.1 73.88 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.67 -1.372 . . . . 1.5 109.67 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -86.25 108.62 18.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -1.158 . . . . 4.18 109.579 -179.799 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' D' ' 359' ' ' PRO . 2.0 mt-10 -50.02 -55.99 20.63 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.14 -0.975 . . . . 5.67 109.559 179.787 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' D' ' 358' ' ' GLU . 2.2 Cg_endo -62.1 146.97 95.92 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 121.807 1.671 . . . . 5.65 110.175 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 118.027 -1.43 . . . . 7.27 109.581 179.952 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 320' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.467 -0.568 . . . . 7.33 109.467 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.48 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 14.7 mttm 60.7 153.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.265 -0.897 . . . . 7.21 109.538 -179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.491 ' O ' HD23 ' A' ' 323' ' ' LEU . 43.8 mttt 62.43 149.82 0.1 OUTLIER Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 6.47 109.646 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.55 90.92 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.462 0 C-N-CA 122.326 2.018 . . . . 4.53 110.637 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 321' ' ' LYS . 4.5 mm? -81.01 -1.1 42.57 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.153 -0.967 . . . . 4.35 109.597 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.02 3.18 23.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.104 -0.997 . . . . 2.48 109.799 -179.802 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.5 138.05 31.62 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.504 -1.438 . . . . 0.98 109.504 -179.838 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.0 125.5 24.09 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.625 -0.926 . . . . 1.7 109.939 -179.801 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 27.6 m-85 -96.82 154.16 17.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.12 -0.988 . . . . 0.61 109.175 179.408 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 80.8 m-85 -139.63 -174.79 3.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.142 -0.974 . . . . 0.58 109.802 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 20.0 p -153.44 159.08 42.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.42 109.273 -179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' C' ' 329' ' ' THR . 14.1 tp -149.05 129.29 13.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.14 -0.975 . . . . 0.36 109.63 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.45 129.77 34.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.25 -0.906 . . . . 1.37 109.338 179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 341' ' ' PHE . 34.2 mt -123.83 117.1 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -0.905 . . . . 0.47 109.559 179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.57 156.61 37.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 2.1 109.537 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.1 139.04 6.32 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.756 -1.338 . . . . 0.42 109.756 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.9 OUTLIER -80.02 -60.59 2.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.348 -1.089 . . . . 2.68 109.531 179.918 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.46 -38.09 76.82 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 2.22 109.65 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.665 HH12 HD22 ' C' ' 348' ' ' LEU . 5.4 tpp180 -62.76 -46.97 85.55 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.287 -0.883 . . . . 2.77 109.54 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.533 ' HD1' HD12 ' A' ' 332' ' ' ILE . 42.1 t80 -54.88 -51.2 66.71 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 0.43 109.491 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.26 -32.78 38.77 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.874 . . . . 1.66 109.92 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.56 -52.04 62.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.139 -0.976 . . . . 0.44 110.06 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.634 ' HB2' HD13 ' A' ' 332' ' ' ILE . 19.4 m-85 -60.85 -51.77 67.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.129 -0.982 . . . . 0.29 109.14 -179.885 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.43 -38.1 41.55 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.494 -0.754 . . . . 2.44 109.371 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -61.74 -43.96 97.84 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.358 -0.839 . . . . 1.74 109.793 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.96 -47.02 86.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.341 -0.849 . . . . 0.3 109.737 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.473 ' HB2' HD21 ' C' ' 330' ' ' LEU . 44.7 t30 -58.22 -42.98 87.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.198 -0.939 . . . . 1.22 109.783 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -41.94 99.02 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 1.72 109.89 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.6 -46.24 89.53 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.27 109.843 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.616 HD22 HH12 ' C' ' 337' ' ' ARG . 75.4 mt -62.06 -43.5 98.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.29 109.714 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.93 -37.25 81.66 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.327 -0.858 . . . . 1.91 109.78 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -63.53 -48.69 76.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.348 -0.845 . . . . 0.41 109.732 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.521 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 27.7 ttmt -61.19 -40.8 95.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.312 -0.868 . . . . 1.56 109.153 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.23 -33.03 67.13 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.559 -0.713 . . . . 1.43 109.586 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.18 89.14 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.66 109.342 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.523 ' NE2' HD11 ' B' ' 350' ' ' LEU . 20.8 mt-30 -81.06 0.88 33.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.339 -0.851 . . . . 1.18 109.43 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -76.01 0.11 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.233 -0.917 . . . . 1.23 109.846 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.36 60.73 4.8 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.723 -1.351 . . . . 1.54 109.723 -179.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 133.37 33.65 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.205 -1.174 . . . . 4.18 109.259 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.59 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 1.1 mt-10 -55.74 -55.87 36.17 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.418 -0.801 . . . . 5.71 109.995 -179.855 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 2.2 Cg_endo -67.41 -3.7 10.53 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.098 1.865 . . . . 5.61 110.84 -179.755 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 7.24 109.558 -179.947 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' B' ' 320' ' ' LYS . 14.1 tttt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.466 -0.568 . . . . 7.34 109.466 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.486 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 14.6 mttm 60.68 153.3 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.338 -0.851 . . . . 7.17 109.568 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.489 ' O ' HD23 ' B' ' 323' ' ' LEU . 44.2 mttt 62.37 149.86 0.1 OUTLIER Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 6.44 109.571 179.844 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -64.61 90.91 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.344 2.03 . . . . 4.54 110.553 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.492 HD13 ' OH ' ' B' ' 327' ' ' TYR . 4.5 mm? -80.95 -1.07 42.14 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.092 -1.005 . . . . 4.32 109.604 179.351 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.02 2.98 24.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 2.47 109.842 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.1 138.07 32.4 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.55 -1.42 . . . . 0.95 109.55 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.11 125.31 23.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.567 -0.961 . . . . 1.61 109.965 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 27.6 m-85 -96.73 154.21 17.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.198 -0.939 . . . . 0.57 109.207 179.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 80.8 m-85 -139.57 -174.74 3.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.161 -0.962 . . . . 0.53 109.862 -179.695 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.43 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.1 p -153.52 159.16 42.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.845 . . . . 0.38 109.256 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.13 129.2 13.54 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.36 109.529 -179.793 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -86.47 129.81 34.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.35 -0.843 . . . . 1.36 109.379 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.648 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.5 mt -123.77 117.04 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.11 -0.994 . . . . 0.49 109.507 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.63 156.67 37.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.253 -0.905 . . . . 2.1 109.544 179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.04 138.98 6.25 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.608 -1.397 . . . . 0.44 109.608 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.567 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.9 OUTLIER -79.83 -60.67 2.25 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.323 -1.104 . . . . 2.72 109.528 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -58.51 -38.02 76.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.323 -0.861 . . . . 2.21 109.667 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.637 HH12 HD22 ' D' ' 348' ' ' LEU . 5.4 tpp180 -62.8 -46.88 85.89 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.124 -0.985 . . . . 2.79 109.579 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.546 ' HD1' HD12 ' B' ' 332' ' ' ILE . 42.1 t80 -54.83 -51.36 66.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.425 -0.797 . . . . 0.45 109.477 179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -52.03 -32.92 36.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.351 -0.843 . . . . 1.68 109.941 -179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.52 -52.07 62.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.134 -0.979 . . . . 0.43 110.081 -179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' B' ' 332' ' ' ILE . 19.5 m-85 -60.79 -51.82 67.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -0.93 . . . . 0.28 109.183 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.47 -38.05 41.75 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.439 -0.788 . . . . 2.52 109.38 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.75 -44.07 97.62 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.912 . . . . 1.75 109.683 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.86 -47.03 86.86 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.235 -0.916 . . . . 0.31 109.747 -179.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.0 t30 -58.26 -42.89 87.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.264 -0.898 . . . . 1.21 109.775 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 1.69 109.769 -179.654 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.78 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.59 -46.2 89.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.308 -0.87 . . . . 0.27 109.827 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.773 HD22 HH12 ' D' ' 337' ' ' ARG . 75.3 mt -62.03 -43.47 98.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.317 -0.864 . . . . 0.3 109.845 -179.7 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -60.96 -37.22 81.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 1.93 109.711 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.656 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -63.56 -48.7 76.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.358 -0.839 . . . . 0.4 109.824 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . 27.8 ttmt -61.21 -40.7 94.96 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.324 -0.86 . . . . 1.59 109.141 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.24 -33.18 67.3 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.543 -0.723 . . . . 1.43 109.6 179.893 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.44 -41.16 89.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.271 -0.893 . . . . 0.65 109.337 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.543 ' NE2' HD11 ' A' ' 350' ' ' LEU . 20.7 mt-30 -81.12 0.89 34.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.19 109.337 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -75.99 0.11 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.253 -0.904 . . . . 1.22 109.836 -179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.42 60.8 4.79 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.722 -1.351 . . . . 1.53 109.722 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.88 133.41 33.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.282 -1.128 . . . . 4.21 109.184 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.582 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 1.1 mt-10 -55.73 -55.93 35.43 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.334 -0.854 . . . . 5.68 109.921 -179.873 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.582 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 2.1 Cg_endo -67.4 -3.73 10.58 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.17 1.914 . . . . 5.57 110.817 -179.656 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.956 -1.469 . . . . 7.2 109.596 179.996 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' C' ' 320' ' ' LYS . 13.9 tttt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.546 -0.539 . . . . 8.96 109.546 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.481 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 14.8 mttm 60.74 153.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.316 -0.865 . . . . 8.15 109.442 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.494 ' O ' HD23 ' C' ' 323' ' ' LEU . 44.0 mttt 62.48 149.85 0.1 OUTLIER Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 7.15 109.588 179.864 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.53 90.89 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.314 2.009 . . . . 4.35 110.645 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.494 HD23 ' O ' ' C' ' 321' ' ' LYS . 4.5 mm? -81.09 -0.94 42.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 4.63 109.58 179.448 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.09 3.15 24.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.294 -0.879 . . . . 2.85 109.838 -179.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.26 137.92 31.92 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.545 -1.422 . . . . 1.12 109.545 -179.918 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -61.87 125.35 23.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.538 -0.978 . . . . 2.11 109.998 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.55 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 27.4 m-85 -96.81 154.34 17.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.924 . . . . 0.64 109.198 179.386 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 80.4 m-85 -139.68 -174.78 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.133 -0.979 . . . . 0.49 109.788 -179.632 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.0 p -153.53 159.13 42.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.362 -0.836 . . . . 0.47 109.25 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.2 tp -149.08 129.26 13.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.249 -0.907 . . . . 0.42 109.515 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.38 129.71 34.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.393 -0.817 . . . . 1.81 109.415 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.4 mt -123.79 117.11 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.267 -0.895 . . . . 0.42 109.568 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.65 156.68 37.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.295 -0.878 . . . . 2.35 109.508 179.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.94 6.28 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.648 -1.381 . . . . 0.41 109.648 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.9 OUTLIER -79.79 -60.7 2.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -1.096 . . . . 2.59 109.514 179.91 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.01 76.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.222 -0.924 . . . . 2.54 109.607 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.616 HH12 HD22 ' A' ' 348' ' ' LEU . 5.4 tpp180 -62.88 -46.84 85.97 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.229 -0.919 . . . . 3.39 109.543 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.545 ' HD1' HD12 ' C' ' 332' ' ' ILE . 41.7 t80 -54.94 -51.35 66.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.47 109.336 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -52.08 -32.82 36.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.306 -0.871 . . . . 1.66 109.942 -179.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.62 -52.01 62.75 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.181 -0.95 . . . . 0.61 110.095 -179.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.622 ' HB2' HD13 ' C' ' 332' ' ' ILE . 19.6 m-85 -60.84 -51.76 67.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -0.918 . . . . 0.33 109.228 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -50.39 -38.07 40.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 3.28 109.439 179.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.7 -44.11 97.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.328 -0.857 . . . . 1.78 109.781 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.83 -47.11 86.54 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.231 -0.918 . . . . 0.38 109.79 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 44.7 t30 -58.21 -42.85 87.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.899 . . . . 1.2 109.878 -179.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.43 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.343 -0.848 . . . . 2.12 109.823 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.58 -46.25 89.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.26 109.86 -179.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.665 HD22 HH12 ' A' ' 337' ' ' ARG . 75.2 mt -61.92 -43.52 98.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.356 -0.84 . . . . 0.4 109.796 -179.741 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -60.96 -37.2 81.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.185 -0.947 . . . . 2.09 109.672 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.667 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -63.57 -48.73 76.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.387 -0.821 . . . . 0.75 109.75 -179.691 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -61.19 -40.78 95.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 2.19 109.115 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.25 -33.11 67.25 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.574 -0.704 . . . . 1.34 109.613 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.34 -41.27 89.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.283 -0.886 . . . . 0.72 109.418 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' D' ' 350' ' ' LEU . 20.7 mt-30 -81.11 0.97 33.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.34 -0.85 . . . . 1.8 109.428 179.75 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -75.95 0.11 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 1.39 109.881 -179.839 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.45 60.76 4.79 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.691 -1.364 . . . . 1.66 109.691 -179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.8 133.41 33.65 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.273 -1.133 . . . . 4.45 109.178 179.89 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.589 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 1.1 mt-10 -55.85 -55.85 36.57 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.919 . . . . 6.19 109.916 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 2.1 Cg_endo -67.39 -3.81 10.71 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 122.132 1.888 . . . . 5.58 110.772 -179.642 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.993 -1.448 . . . . 6.9 109.531 -179.886 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' D' ' 320' ' ' LYS . 14.0 tttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.328 0.585 . . . . 7.36 109.489 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.483 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 14.7 mttm 60.75 153.3 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 7.15 109.516 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.49 ' O ' HD23 ' D' ' 323' ' ' LEU . 43.8 mttt 62.34 149.88 0.1 OUTLIER Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 6.5 109.629 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.68 90.98 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.197 1.931 . . . . 4.5 110.609 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.519 ' HA ' HD13 ' D' ' 323' ' ' LEU . 4.5 mm? -81.02 -1.0 42.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.193 -0.942 . . . . 4.32 109.563 179.391 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -81.03 3.07 24.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.152 -0.968 . . . . 2.46 109.889 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.551 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.32 137.99 31.89 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.528 -1.429 . . . . 0.97 109.528 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.85 125.4 23.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.544 -0.974 . . . . 1.67 109.964 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.551 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 27.9 m-85 -96.82 154.18 17.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.102 -0.999 . . . . 0.61 109.14 179.367 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 80.9 m-85 -139.58 -174.72 3.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.092 -1.005 . . . . 0.56 109.839 -179.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 19.9 p -153.55 159.16 42.13 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.43 109.23 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.14 129.22 13.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.182 -0.949 . . . . 0.35 109.519 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -86.37 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.9 . . . . 1.37 109.399 179.794 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.5 mt -123.86 117.16 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.167 -0.958 . . . . 0.48 109.542 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -73.66 156.64 37.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.31 -0.869 . . . . 2.08 109.534 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.12 138.91 6.27 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.763 -1.335 . . . . 0.4 109.763 179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.9 OUTLIER -79.87 -60.64 2.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.341 -1.094 . . . . 2.64 109.505 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -58.5 -38.04 76.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -0.836 . . . . 2.22 109.515 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.773 HH12 HD22 ' B' ' 348' ' ' LEU . 5.5 tpp180 -62.86 -46.88 85.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.2 -0.937 . . . . 2.74 109.586 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.55 ' HD1' HD12 ' D' ' 332' ' ' ILE . 42.0 t80 -54.76 -51.41 65.8 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.43 109.459 179.843 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -52.21 -32.68 37.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.69 109.919 -179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.7 -51.9 62.97 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.217 -0.927 . . . . 0.43 110.096 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' D' ' 332' ' ' ILE . 19.3 m-85 -60.95 -51.76 67.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.27 109.13 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -50.5 -38.03 42.07 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.36 -0.837 . . . . 2.45 109.383 179.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.66 -44.04 97.72 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.345 -0.847 . . . . 1.75 109.794 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -47.04 86.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.9 . . . . 0.31 109.708 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.456 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.7 t30 -58.14 -42.91 86.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.256 -0.902 . . . . 1.22 109.867 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.52 -41.95 99.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 1.73 109.807 -179.689 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.84 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.59 -46.28 89.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.364 -0.835 . . . . 0.28 109.795 -179.718 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.637 HD22 HH12 ' B' ' 337' ' ' ARG . 75.1 mt -61.91 -43.42 98.88 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.31 109.8 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.02 -37.23 81.84 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 1.91 109.709 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.663 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -63.55 -48.7 76.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.43 109.723 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 27.8 ttmt -61.28 -40.77 95.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.321 -0.862 . . . . 1.57 109.105 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.19 -33.07 67.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.556 -0.715 . . . . 1.44 109.562 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.17 89.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.326 -0.859 . . . . 0.64 109.325 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.566 ' NE2' HD11 ' C' ' 350' ' ' LEU . 20.8 mt-30 -81.06 0.83 34.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 1.21 109.457 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -76.09 0.1 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 1.22 109.893 -179.842 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.39 60.8 4.79 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.638 -1.385 . . . . 1.5 109.638 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.85 133.4 33.63 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.222 -1.163 . . . . 4.18 109.204 179.828 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.577 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 1.1 mt-10 -55.75 -55.93 35.51 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.262 -0.899 . . . . 5.67 109.933 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.1 Cg_endo -67.47 -3.65 10.5 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 122.128 1.885 . . . . 5.65 110.803 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.457 -1.457 . . . . 7.27 109.457 179.935 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 8.4 mttm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.299 -0.63 . . . . 7.33 109.299 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 1.0 OUTLIER 62.13 -118.23 0.63 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.141 -0.974 . . . . 7.21 109.344 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.548 ' CB ' ' HD3' ' A' ' 322' ' ' PRO . 3.2 mttt -79.69 -55.79 0.82 Allowed Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 120.969 -1.082 . . . . 6.47 110.057 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 321' ' ' LYS . 2.0 Cg_endo -62.8 114.63 2.5 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 121.886 1.724 . . . . 4.53 110.339 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 323' ' ' LEU . 34.5 mt -80.92 129.91 34.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 4.35 109.315 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.23 -152.05 0.06 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.282 -0.886 . . . . 2.48 109.489 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 168.25 42.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.57 -1.412 . . . . 0.98 109.57 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.14 139.15 53.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.192 -1.181 . . . . 1.7 109.282 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -94.67 160.12 14.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 0.61 109.701 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.486 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.9 m-85 -138.76 -168.77 2.48 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.191 -0.943 . . . . 0.58 109.341 179.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.8 p -154.01 160.65 42.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.166 -0.959 . . . . 0.42 109.566 -179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.4 tp -149.45 130.03 13.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.3 -0.875 . . . . 0.36 109.376 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -86.06 134.75 33.81 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.291 -0.881 . . . . 1.37 109.593 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.653 HD12 ' HD1' ' A' ' 338' ' ' PHE . 47.9 mt -124.07 117.41 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.286 -0.884 . . . . 0.47 109.35 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 144.3 47.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.427 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.29 136.02 7.24 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.606 -1.398 . . . . 0.42 109.606 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 68.8 ttt180 -81.15 -47.59 13.26 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -1.152 . . . . 2.68 109.505 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -47.92 82.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.391 -0.818 . . . . 2.22 109.493 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.0 tpp180 -61.94 -42.35 99.01 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.304 -0.873 . . . . 2.77 109.713 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.653 ' HD1' HD12 ' A' ' 332' ' ' ILE . 50.7 t80 -54.67 -49.0 71.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.346 -0.846 . . . . 0.43 109.449 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.24 -38.16 57.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 1.66 109.769 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -62.0 -46.9 87.18 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.233 -0.917 . . . . 0.44 110.112 -179.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.531 ' CD2' HD13 ' A' ' 332' ' ' ILE . 23.0 m-85 -60.76 -49.18 78.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.149 -0.97 . . . . 0.29 109.137 -179.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.83 -38.66 56.71 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.501 -0.749 . . . . 2.44 109.569 179.818 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -52.24 66.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 1.74 110.089 -179.518 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' B' ' 344' ' ' LEU . 35.2 mt -59.65 -33.69 71.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.993 -1.067 . . . . 0.3 108.939 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.0 t-20 -60.01 -54.07 50.32 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 1.22 109.801 179.773 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.78 -32.98 74.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.434 -0.792 . . . . 1.72 110.33 -179.497 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.43 -53.26 58.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.27 109.961 -179.635 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.818 HD22 ' NH1' ' C' ' 337' ' ' ARG . 51.8 mt -60.88 -43.15 98.83 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.273 -0.892 . . . . 0.29 109.741 -179.56 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -60.61 -35.71 76.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.202 -0.936 . . . . 1.91 109.713 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -65.69 -46.22 79.87 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.265 -0.897 . . . . 0.41 109.553 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.37 -37.84 84.83 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.406 -0.809 . . . . 1.56 108.972 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -57.47 -33.76 68.31 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.602 -0.686 . . . . 1.43 109.625 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -48.77 68.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.66 109.483 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' B' ' 350' ' ' LEU . 24.3 mt-30 -81.6 -0.4 42.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.499 -0.751 . . . . 1.18 109.74 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.85 -42.16 70.49 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.189 -0.944 . . . . 1.23 109.757 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.47 -16.12 64.84 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.578 -1.409 . . . . 1.54 109.578 -179.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.62 -90.23 0.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.335 -1.097 . . . . 4.18 109.37 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -48.61 109.2 1.1 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.244 -0.91 . . . . 5.71 109.344 179.828 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.77 -81.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 121.876 1.717 . . . . 5.61 110.195 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.016 -1.436 . . . . 7.24 109.587 -179.992 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 8.3 mttm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.244 -0.65 . . . . 7.34 109.244 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 1.0 OUTLIER 61.97 -117.97 0.64 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.054 -1.029 . . . . 7.17 109.448 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.555 ' CB ' ' HD3' ' B' ' 322' ' ' PRO . 3.2 tttt -79.96 -55.68 0.79 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.837 -1.164 . . . . 6.44 110.003 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' B' ' 321' ' ' LYS . 2.1 Cg_endo -62.92 114.76 2.56 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 121.792 1.661 . . . . 4.54 110.351 -179.903 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 323' ' ' LEU . 35.1 mt -80.95 130.12 34.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 4.32 109.321 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.44 -152.2 0.07 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.296 -0.877 . . . . 2.47 109.491 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.16 168.12 41.89 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.428 -1.469 . . . . 0.95 109.428 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.21 139.31 53.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.192 -1.181 . . . . 1.61 109.314 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -94.83 160.17 14.72 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.9 . . . . 0.57 109.663 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 83.4 m-85 -138.77 -168.93 2.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.53 109.443 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.469 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.4 p -153.86 160.6 42.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.127 -0.983 . . . . 0.38 109.594 -179.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -149.35 130.31 14.33 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.304 -0.872 . . . . 0.36 109.225 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -86.32 134.71 33.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.285 -0.884 . . . . 1.36 109.51 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.662 HD12 ' HD1' ' B' ' 338' ' ' PHE . 48.4 mt -124.06 117.51 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.49 109.394 179.777 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 144.26 47.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.2 -0.938 . . . . 2.1 109.412 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.22 136.3 7.32 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.528 -1.429 . . . . 0.44 109.528 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 68.7 ttt180 -81.38 -47.7 12.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.132 -1.216 . . . . 2.72 109.492 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.05 -48.11 81.09 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.384 -0.822 . . . . 2.21 109.394 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.823 HH12 HD22 ' D' ' 348' ' ' LEU . 6.1 tpp180 -61.74 -42.4 98.92 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.406 -0.809 . . . . 2.79 109.799 -179.896 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.662 ' HD1' HD12 ' B' ' 332' ' ' ILE . 50.6 t80 -54.71 -49.02 71.74 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.257 -0.902 . . . . 0.45 109.484 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -52.15 -38.04 56.36 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.433 -0.792 . . . . 1.68 109.836 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.4 ttp -62.0 -47.03 86.59 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.355 -0.84 . . . . 0.43 110.212 -179.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.54 ' CD2' HD13 ' B' ' 332' ' ' ILE . 23.1 m-85 -60.78 -49.24 78.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.28 109.124 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -38.8 56.46 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.384 -0.823 . . . . 2.52 109.536 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -52.46 65.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.27 -0.894 . . . . 1.75 110.09 -179.54 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.138 HD22 HD22 ' A' ' 344' ' ' LEU . 36.0 mt -59.53 -33.61 71.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.112 -0.992 . . . . 0.31 108.987 -179.828 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.1 t-20 -60.11 -54.08 50.18 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.549 -0.719 . . . . 1.21 109.805 179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -62.76 -32.99 74.24 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.312 -0.867 . . . . 1.69 110.279 -179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.893 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.4 -53.36 57.63 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.126 -0.984 . . . . 0.27 109.953 -179.624 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.784 HD22 HH12 ' D' ' 337' ' ' ARG . 51.8 mt -60.74 -43.07 98.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.284 -0.885 . . . . 0.3 109.715 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.77 -35.79 77.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 1.93 109.642 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.696 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -65.45 -46.45 79.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.174 -0.954 . . . . 0.4 109.529 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -37.83 84.63 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.308 -0.87 . . . . 1.59 109.049 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -57.31 -33.78 68.05 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.562 -0.712 . . . . 1.43 109.691 179.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.72 -48.69 68.41 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.3 -0.875 . . . . 0.65 109.472 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.504 ' NE2' HD11 ' A' ' 350' ' ' LEU . 24.4 mt-30 -81.56 -0.72 43.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.412 -0.805 . . . . 1.19 109.732 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.93 71.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.156 -0.965 . . . . 1.22 109.689 -179.827 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -16.34 64.46 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.614 -1.394 . . . . 1.53 109.614 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.55 -89.93 0.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.194 -1.18 . . . . 4.21 109.288 179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -48.92 109.15 1.11 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.272 -0.893 . . . . 5.68 109.397 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -60.68 -81.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.961 1.774 . . . . 5.57 110.165 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.985 -1.453 . . . . 7.2 109.628 -179.988 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 8.3 mttm . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.254 -0.647 . . . . 8.96 109.254 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 1.1 mmmt 61.93 -118.07 0.65 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 8.15 109.469 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.545 ' CB ' ' HD3' ' C' ' 322' ' ' PRO . 3.3 mttt -79.85 -55.67 0.81 Allowed Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.834 -1.166 . . . . 7.15 110.042 -179.817 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' C' ' 321' ' ' LYS . 2.1 Cg_endo -63.07 114.82 2.61 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.752 1.635 . . . . 4.35 110.297 -179.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' C' ' 323' ' ' LEU . 34.9 mt -81.01 130.15 34.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 4.63 109.309 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.23 -152.09 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 2.85 109.565 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 168.46 42.54 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.465 -1.454 . . . . 1.12 109.465 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.34 139.28 53.42 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.076 -1.249 . . . . 2.11 109.337 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -94.81 160.19 14.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.243 -0.911 . . . . 0.64 109.617 -179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 83.2 m-85 -138.8 -168.68 2.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.218 -0.926 . . . . 0.49 109.359 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 20.6 p -154.08 160.48 41.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.47 109.585 -179.84 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.3 tp -149.33 130.17 14.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.294 -0.879 . . . . 0.42 109.392 179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.75 33.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.255 -0.903 . . . . 1.81 109.517 -179.898 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.642 HD12 ' HD1' ' C' ' 338' ' ' PHE . 47.6 mt -123.99 117.31 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.42 109.333 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 144.49 47.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 2.35 109.367 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.01 136.27 7.21 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.603 -1.399 . . . . 0.41 109.603 -179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 68.9 ttt180 -81.27 -47.61 13.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -1.177 . . . . 2.59 109.486 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -47.84 82.36 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.221 -0.924 . . . . 2.54 109.498 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.818 ' NH1' HD22 ' A' ' 348' ' ' LEU . 5.9 tpp180 -62.03 -42.38 99.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.269 -0.894 . . . . 3.39 109.635 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.642 ' HD1' HD12 ' C' ' 332' ' ' ILE . 50.9 t80 -54.58 -48.91 71.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.262 -0.898 . . . . 0.47 109.571 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -52.23 -38.18 57.33 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.324 -0.86 . . . . 1.66 109.823 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.02 -46.8 87.58 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.21 -0.931 . . . . 0.61 110.185 -179.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.547 ' CD2' HD13 ' C' ' 332' ' ' ILE . 23.0 m-85 -60.8 -49.23 78.32 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.33 109.163 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.73 -38.81 56.85 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.473 -0.767 . . . . 3.28 109.605 179.75 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -52.14 66.76 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.336 -0.852 . . . . 1.78 110.155 -179.566 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' D' ' 344' ' ' LEU . 34.9 mt -59.85 -33.56 71.95 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.115 -0.991 . . . . 0.38 108.915 -179.879 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.04 -54.03 50.82 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.516 -0.74 . . . . 1.2 109.781 179.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -62.84 -32.97 74.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.372 -0.83 . . . . 2.12 110.31 -179.42 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.47 -53.28 58.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.06 -1.025 . . . . 0.26 109.951 -179.615 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 52.8 mt -60.83 -43.24 98.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.244 -0.91 . . . . 0.4 109.65 -179.583 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -60.67 -35.54 76.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 2.09 109.63 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -65.66 -46.51 78.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.75 109.503 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -37.78 84.1 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.436 -0.79 . . . . 2.19 108.996 179.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.49 -33.8 68.4 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.438 -0.789 . . . . 1.34 109.576 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -48.87 68.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -0.877 . . . . 0.72 109.378 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.579 ' NE2' HD11 ' D' ' 350' ' ' LEU . 24.2 mt-30 -81.48 -0.69 42.94 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.418 -0.801 . . . . 1.8 109.772 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.69 -41.94 71.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.234 -0.916 . . . . 1.39 109.822 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.56 -16.21 64.48 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.521 -1.432 . . . . 1.66 109.521 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -89.57 -90.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -1.184 . . . . 4.45 109.343 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -48.88 109.0 1.06 Allowed Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.917 . . . . 6.19 109.418 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.69 -81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 121.896 1.731 . . . . 5.58 110.27 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 118.024 -1.431 . . . . 6.9 109.581 179.919 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 8.2 mttm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.405 -0.591 . . . . 7.36 109.405 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 1.1 mmmt 61.79 -118.28 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.169 -0.957 . . . . 7.15 109.423 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.543 ' CB ' ' HD3' ' D' ' 322' ' ' PRO . 3.3 mttt -79.79 -55.65 0.82 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.801 -1.187 . . . . 6.5 110.043 -179.734 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' D' ' 321' ' ' LYS . 2.1 Cg_endo -62.99 114.88 2.63 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 121.718 1.612 . . . . 4.5 110.227 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' D' ' 323' ' ' LEU . 34.6 mt -80.99 130.03 34.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.173 -0.954 . . . . 4.32 109.368 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.2 -152.08 0.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.216 -0.928 . . . . 2.46 109.552 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 168.32 42.61 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.465 -1.454 . . . . 0.97 109.465 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.29 139.11 53.78 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.198 -1.178 . . . . 1.67 109.315 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -94.69 160.2 14.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.193 -0.942 . . . . 0.61 109.684 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 84.0 m-85 -138.88 -168.88 2.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.359 -0.838 . . . . 0.56 109.428 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.7 p -153.85 160.69 42.28 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.43 109.554 -179.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.5 130.23 14.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.883 . . . . 0.35 109.303 179.904 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -86.27 134.67 33.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.24 -0.912 . . . . 1.37 109.609 -179.958 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.65 HD12 ' HD1' ' D' ' 338' ' ' PHE . 47.9 mt -124.09 117.47 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -0.91 . . . . 0.48 109.264 179.891 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 144.35 47.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.224 -0.923 . . . . 2.08 109.4 179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.21 136.34 7.34 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.616 -1.394 . . . . 0.4 109.616 179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 68.8 ttt180 -81.42 -47.56 13.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -1.153 . . . . 2.64 109.437 -179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 -48.07 81.66 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.383 -0.823 . . . . 2.22 109.446 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.784 HH12 HD22 ' B' ' 348' ' ' LEU . 6.0 tpp180 -61.69 -42.42 98.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.446 -0.784 . . . . 2.74 109.772 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.65 ' HD1' HD12 ' D' ' 332' ' ' ILE . 50.5 t80 -54.64 -49.07 71.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.286 -0.884 . . . . 0.43 109.453 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.16 -38.22 56.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 1.69 109.815 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 15.8 ttp -61.93 -46.85 87.52 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.194 -0.941 . . . . 0.43 110.15 -179.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' D' ' 332' ' ' ILE . 23.6 m-85 -60.8 -49.27 78.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.179 -0.951 . . . . 0.27 109.221 -179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -38.77 56.55 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.431 -0.793 . . . . 2.45 109.585 179.749 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -52.21 66.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.238 -0.914 . . . . 1.75 110.114 -179.525 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.935 HD22 HD22 ' C' ' 344' ' ' LEU . 36.2 mt -59.76 -33.55 71.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.09 -1.006 . . . . 0.31 108.939 -179.825 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.448 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.1 t-20 -60.07 -54.07 50.3 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.512 -0.742 . . . . 1.22 109.775 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -62.81 -32.95 74.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.509 -0.744 . . . . 1.73 110.249 -179.419 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.795 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.36 -53.34 57.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.103 -0.998 . . . . 0.28 110.023 -179.668 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.823 HD22 HH12 ' B' ' 337' ' ' ARG . 52.6 mt -60.87 -43.03 98.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.335 -0.853 . . . . 0.31 109.661 -179.537 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -60.7 -35.75 77.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -0.94 . . . . 1.91 109.653 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.713 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.37 -46.52 79.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.43 109.557 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.37 -37.67 84.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.371 -0.83 . . . . 1.57 108.942 179.904 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -57.41 -33.81 68.26 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.547 -0.72 . . . . 1.44 109.744 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -48.75 68.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.306 -0.871 . . . . 0.64 109.534 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.431 ' NE2' HD11 ' C' ' 350' ' ' LEU . 24.3 mt-30 -81.52 -0.53 42.4 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.382 -0.824 . . . . 1.21 109.763 -179.874 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.93 70.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.1 -1.0 . . . . 1.22 109.814 -179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -16.09 64.72 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.562 -1.415 . . . . 1.5 109.562 -179.89 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -89.74 -90.18 0.15 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.201 -1.176 . . . . 4.18 109.3 179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -48.74 109.05 1.06 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 5.67 109.493 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -60.72 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 121.892 1.728 . . . . 5.65 110.222 -179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.513 -1.435 . . . . 7.27 109.513 179.965 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.278 0.561 . . . . 7.33 109.507 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.94 22.6 13.54 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.342 -0.849 . . . . 7.21 109.803 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 324' ' ' ASP . 15.8 mttt 59.34 73.54 0.67 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 6.47 109.581 179.701 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.52 -84.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.155 1.903 . . . . 4.53 110.731 -179.687 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.47 30.26 0.64 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 4.35 110.329 -179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.445 ' CB ' ' HB3' ' A' ' 321' ' ' LYS . 0.9 OUTLIER -79.23 -123.38 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.236 -0.915 . . . . 2.48 109.28 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.92 135.12 27.91 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.558 -1.417 . . . . 0.98 109.558 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.53 140.56 58.08 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.525 -0.985 . . . . 1.7 109.732 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.78 146.99 23.81 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.115 -0.991 . . . . 0.61 109.099 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.9 m-85 -140.41 -169.97 2.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.158 -0.964 . . . . 0.58 109.804 -179.718 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.9 p -153.15 165.04 36.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.357 -0.839 . . . . 0.42 109.417 -179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' C' ' 345' ' ' ASN . 13.4 tp -149.89 133.39 16.61 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.271 -0.893 . . . . 0.36 109.576 -179.628 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.1 130.7 34.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.272 -0.893 . . . . 1.37 109.39 179.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.7 mt -123.95 118.99 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.106 -0.997 . . . . 0.47 109.667 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.82 151.67 40.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.936 . . . . 2.1 109.57 179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.78 138.53 7.06 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.841 -1.303 . . . . 0.42 109.841 179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 6.3 ttt180 -82.59 -58.02 3.09 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -1.127 . . . . 2.68 109.473 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -43.01 87.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.203 -0.936 . . . . 2.22 109.256 179.826 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.38 -41.82 97.71 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.241 -0.912 . . . . 2.77 109.342 179.846 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.5 t80 -54.82 -57.14 12.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.45 -0.781 . . . . 0.43 109.527 -179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -51.01 -30.78 16.2 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 1.66 109.685 -179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.44 -50.85 68.12 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.105 -0.997 . . . . 0.44 109.863 -179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.553 ' HB2' HD13 ' A' ' 332' ' ' ILE . 23.5 m-85 -61.44 -50.55 72.33 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.252 -0.905 . . . . 0.29 109.175 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -51.08 -36.3 39.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.852 . . . . 2.44 109.204 179.59 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.38 -49.43 77.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 1.74 109.707 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' B' ' 344' ' ' LEU . 60.0 mt -61.28 -33.7 73.97 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -0.895 . . . . 0.3 108.881 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.505 ' HB2' HD21 ' C' ' 330' ' ' LEU . 17.3 t-20 -59.0 -55.08 39.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.465 -0.772 . . . . 1.22 109.414 179.477 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.94 -27.36 69.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 1.72 109.856 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.0 -57.43 12.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 0.27 110.123 -179.517 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.7 -40.93 94.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.29 109.579 -179.509 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 18.9 mt-10 -59.41 -36.45 75.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.153 -0.967 . . . . 1.91 109.425 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.562 HD21 ' NE2' ' B' ' 354' ' ' GLN . 11.2 tp -64.95 -40.14 94.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.41 109.382 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.84 -50.86 70.58 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.433 -0.792 . . . . 1.56 109.067 179.781 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -56.32 -31.07 63.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.595 -0.691 . . . . 1.43 109.745 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.85 89.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 0.66 109.827 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.57 ' NE2' HD21 ' B' ' 350' ' ' LEU . 6.9 mt-30 -81.26 -4.61 56.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 1.18 109.748 -179.793 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.63 44.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.078 -1.014 . . . . 1.23 109.333 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.2 4.65 75.64 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.853 -1.299 . . . . 1.54 109.853 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 354' ' ' GLN . 21.5 mttt -86.08 114.44 22.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -1.197 . . . . 4.18 109.372 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 0.9 OUTLIER -50.77 158.29 1.16 Allowed Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.235 -0.915 . . . . 5.71 109.546 -179.865 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 3.1 Cg_exo -61.03 143.65 99.27 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.179 1.919 . . . . 5.61 110.272 179.848 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.458 -1.457 . . . . 7.24 109.458 -179.988 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.32 0.581 . . . . 7.34 109.555 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.92 22.63 13.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 7.17 109.796 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' B' ' 324' ' ' ASP . 15.8 mttt 59.28 73.52 0.68 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.23 -0.918 . . . . 6.44 109.582 179.711 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.44 -84.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.23 1.953 . . . . 4.54 110.742 -179.763 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.33 30.17 0.63 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.039 -1.038 . . . . 4.32 110.403 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' B' ' 321' ' ' LYS . 0.9 OUTLIER -79.16 -123.6 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.274 -0.891 . . . . 2.47 109.2 -179.958 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.66 135.08 28.44 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.519 -1.432 . . . . 0.95 109.519 -179.869 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.63 140.42 58.15 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.564 -0.963 . . . . 1.61 109.672 179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -94.76 147.02 23.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.57 109.042 179.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.555 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -140.37 -169.94 2.88 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.125 -0.984 . . . . 0.53 109.81 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.7 p -153.25 165.07 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.38 109.403 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' D' ' 345' ' ' ASN . 13.4 tp -149.83 133.61 16.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.64 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 130.66 34.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.331 -0.856 . . . . 1.36 109.38 179.754 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.0 mt -124.0 119.03 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.166 -0.959 . . . . 0.49 109.592 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.76 151.7 40.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 2.1 109.546 179.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.74 138.61 7.08 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.819 -1.312 . . . . 0.44 109.819 179.675 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.559 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 6.3 ttt180 -82.69 -58.05 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -1.116 . . . . 2.72 109.34 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.23 -43.01 87.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.899 . . . . 2.21 109.246 179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.44 -41.81 97.77 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.327 -0.858 . . . . 2.79 109.226 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.6 t80 -54.79 -57.16 12.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.487 -0.758 . . . . 0.45 109.468 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.07 -30.72 16.62 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 1.68 109.662 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -63.51 -50.87 67.91 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.249 -0.907 . . . . 0.43 109.847 -179.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.55 ' HB2' HD13 ' B' ' 332' ' ' ILE . 23.5 m-85 -61.46 -50.41 72.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.189 -0.945 . . . . 0.28 109.155 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.489 ' NH1' ' HG2' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -51.19 -36.31 40.67 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.378 -0.826 . . . . 2.52 109.265 179.576 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.38 -49.44 77.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.255 -0.903 . . . . 1.75 109.668 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.569 HD22 HD22 ' A' ' 344' ' ' LEU . 59.5 mt -61.14 -33.76 73.92 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.31 108.908 179.775 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 17.4 t-20 -58.98 -55.2 38.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.477 -0.764 . . . . 1.21 109.269 179.616 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.83 -27.4 69.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 1.69 109.841 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.08 -57.33 12.99 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.174 -0.954 . . . . 0.27 110.129 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.81 -40.91 94.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.223 -0.923 . . . . 0.3 109.613 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 345' ' ' ASN . 18.8 mt-10 -59.41 -36.27 75.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.216 -0.927 . . . . 1.93 109.526 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.57 HD21 ' NE2' ' A' ' 354' ' ' GLN . 11.2 tp -65.03 -40.09 94.33 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.2 -0.937 . . . . 0.4 109.349 179.888 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 350' ' ' LEU . 0.6 OUTLIER -62.01 -50.7 70.99 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.452 -0.78 . . . . 1.59 109.001 179.875 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.49 -30.97 63.59 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.661 -0.649 . . . . 1.43 109.689 179.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.892 . . . . 0.65 109.824 -179.585 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.562 ' NE2' HD21 ' A' ' 350' ' ' LEU . 6.9 mt-30 -81.23 -4.63 56.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.173 -0.954 . . . . 1.19 109.734 -179.844 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.74 -49.74 43.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.087 -1.008 . . . . 1.22 109.313 179.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.13 4.61 75.46 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.818 -1.313 . . . . 1.53 109.818 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' B' ' 354' ' ' GLN . 21.6 mttt -86.03 114.32 22.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.192 -1.181 . . . . 4.21 109.397 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 0.9 OUTLIER -50.71 158.3 1.14 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.361 -0.837 . . . . 5.68 109.624 -179.887 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -61.08 143.62 99.07 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.172 1.915 . . . . 5.57 110.299 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 117.936 -1.48 . . . . 7.2 109.498 179.993 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 12.8 tttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.3 0.571 . . . . 8.96 109.504 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.86 22.55 13.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 8.15 109.82 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' C' ' 324' ' ' ASP . 15.8 mttt 59.39 73.47 0.68 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.173 -0.954 . . . . 7.15 109.625 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.45 -84.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.242 1.961 . . . . 4.35 110.746 -179.691 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 10.8 mt -85.41 30.16 0.64 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.106 -0.996 . . . . 4.63 110.374 -179.728 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.447 ' CB ' ' HB3' ' C' ' 321' ' ' LYS . 0.9 OUTLIER -79.16 -123.43 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.262 -0.899 . . . . 2.85 109.267 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.81 134.91 28.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.613 -1.395 . . . . 1.12 109.613 -179.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -61.39 140.49 58.02 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.497 -1.002 . . . . 2.11 109.752 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -94.87 147.13 23.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.286 -0.884 . . . . 0.64 109.024 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.3 m-85 -140.47 -169.98 2.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.49 109.867 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.7 p -153.2 165.03 36.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.291 -0.881 . . . . 0.47 109.46 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 345' ' ' ASN . 13.4 tp -149.81 133.54 16.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.146 -0.972 . . . . 0.42 109.613 -179.593 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.36 130.69 34.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.271 -0.893 . . . . 1.81 109.33 179.822 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.563 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.9 mt -123.96 118.94 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.148 -0.97 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.63 151.74 40.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 2.35 109.565 179.835 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.73 138.57 7.05 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 6.3 ttt180 -82.71 -58.01 3.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.318 -1.107 . . . . 2.59 109.401 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -58.23 -42.93 87.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 2.54 109.204 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -41.76 97.8 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.326 -0.859 . . . . 3.39 109.292 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' C' ' 332' ' ' ILE . 34.6 t80 -54.83 -57.19 12.55 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.445 -0.784 . . . . 0.47 109.479 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.14 -30.65 17.17 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.66 109.689 -179.802 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.48 -50.84 68.08 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.162 -0.961 . . . . 0.61 109.865 -179.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.563 ' HB2' HD13 ' C' ' 332' ' ' ILE . 23.6 m-85 -61.4 -50.47 72.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.263 -0.898 . . . . 0.33 109.207 179.899 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.467 ' HG2' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -51.15 -36.25 39.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.41 -0.806 . . . . 3.28 109.303 179.542 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -60.52 -49.25 78.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.881 . . . . 1.78 109.644 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' D' ' 344' ' ' LEU . 59.4 mt -61.38 -33.62 73.97 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.173 -0.955 . . . . 0.38 108.876 179.763 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.493 ' HB2' HD21 ' A' ' 330' ' ' LEU . 17.4 t-20 -59.09 -55.1 39.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.442 -0.786 . . . . 1.2 109.36 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.92 -27.44 69.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.448 -0.783 . . . . 2.12 109.833 -179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.99 -57.32 13.12 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.323 -0.861 . . . . 0.26 110.198 -179.56 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.81 -40.84 94.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.111 -0.993 . . . . 0.4 109.643 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 18.8 mt-10 -59.45 -36.41 75.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 2.09 109.433 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.527 HD21 ' NE2' ' D' ' 354' ' ' GLN . 11.2 tp -64.97 -40.16 94.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.795 . . . . 0.75 109.307 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -50.66 71.29 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.448 -0.783 . . . . 2.19 109.082 179.789 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -56.54 -30.89 63.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.639 -0.663 . . . . 1.34 109.777 179.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.22 -41.78 89.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.259 -0.901 . . . . 0.72 109.854 -179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.646 ' NE2' HD21 ' D' ' 350' ' ' LEU . 6.9 mt-30 -81.26 -4.62 56.12 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.34 -0.85 . . . . 1.8 109.76 -179.806 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.65 44.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.133 -0.979 . . . . 1.39 109.327 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.28 4.71 75.82 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.822 -1.311 . . . . 1.66 109.822 -179.923 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -85.94 114.35 22.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.169 -1.195 . . . . 4.45 109.422 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 0.9 OUTLIER -50.69 158.26 1.14 Allowed Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 6.19 109.674 -179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.01 143.58 99.34 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.148 1.899 . . . . 5.58 110.28 179.798 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.914 -1.492 . . . . 6.9 109.589 179.933 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 12.9 tttt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.252 0.549 . . . . 7.36 109.576 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.89 22.65 13.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.267 -0.896 . . . . 7.15 109.831 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.448 ' HB3' ' CB ' ' D' ' 324' ' ' ASP . 15.8 mttt 59.32 73.51 0.67 Allowed Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.145 -0.972 . . . . 6.5 109.564 179.678 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.5 -84.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.215 1.943 . . . . 4.5 110.727 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.44 30.31 0.63 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.04 -1.038 . . . . 4.32 110.332 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.448 ' CB ' ' HB3' ' D' ' 321' ' ' LYS . 0.9 OUTLIER -79.23 -123.36 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.25 -0.906 . . . . 2.46 109.214 179.964 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 135.08 27.96 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.563 -1.415 . . . . 0.97 109.563 -179.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.6 140.59 58.12 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.606 -0.938 . . . . 1.67 109.681 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -94.86 147.05 23.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.905 . . . . 0.61 109.092 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.0 m-85 -140.39 -169.96 2.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.055 -1.028 . . . . 0.56 109.789 -179.623 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.8 p -153.24 164.88 37.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.273 -0.892 . . . . 0.43 109.391 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 13.4 tp -149.77 133.6 16.92 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.324 -0.86 . . . . 0.35 109.627 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.26 130.64 34.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.28 -0.888 . . . . 1.37 109.333 179.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.556 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.1 mt -124.06 118.89 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.97 . . . . 0.48 109.652 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.66 151.7 40.71 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 2.08 109.582 179.817 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.41 7.04 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.72 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.555 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 6.3 ttt180 -82.64 -57.99 3.1 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -1.053 . . . . 2.64 109.417 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.22 -42.91 87.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.223 -0.923 . . . . 2.22 109.268 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.53 -41.77 97.83 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.335 -0.853 . . . . 2.74 109.337 179.839 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' HD1' HD12 ' D' ' 332' ' ' ILE . 34.6 t80 -54.75 -57.12 12.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.524 -0.735 . . . . 0.43 109.57 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.12 -30.66 16.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.354 -0.841 . . . . 1.69 109.668 -179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -63.59 -51.0 67.24 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.149 -0.969 . . . . 0.43 109.681 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.556 ' HB2' HD13 ' D' ' 332' ' ' ILE . 23.5 m-85 -61.39 -50.46 72.77 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.27 109.202 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.477 ' NH1' ' HG2' ' D' ' 342' ' ' ARG . 0.1 OUTLIER -51.05 -36.38 39.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.443 -0.786 . . . . 2.45 109.308 179.495 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.3 -49.47 77.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.169 -0.957 . . . . 1.75 109.718 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' C' ' 344' ' ' LEU . 59.8 mt -61.21 -33.84 74.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.262 -0.899 . . . . 0.31 108.921 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.529 ' HB2' HD21 ' B' ' 330' ' ' LEU . 17.3 t-20 -58.85 -55.23 37.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.539 -0.726 . . . . 1.22 109.367 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -62.86 -27.4 69.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.486 -0.759 . . . . 1.73 109.83 -179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.953 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.02 -57.45 12.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.216 -0.927 . . . . 0.28 110.116 -179.475 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.73 -40.89 94.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.31 109.659 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 18.9 mt-10 -59.34 -36.42 75.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.14 -0.975 . . . . 1.91 109.548 179.833 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.646 HD21 ' NE2' ' C' ' 354' ' ' GLN . 11.2 tp -64.99 -40.15 94.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.315 -0.866 . . . . 0.43 109.335 179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -50.77 70.94 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.442 -0.786 . . . . 1.57 109.08 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -56.5 -30.96 63.61 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.742 -0.599 . . . . 1.44 109.69 179.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.67 89.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.259 -0.901 . . . . 0.64 109.822 -179.564 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD21 ' C' ' 350' ' ' LEU . 6.9 mt-30 -81.26 -4.68 56.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.15 -0.969 . . . . 1.21 109.689 -179.827 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.73 43.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.094 -1.004 . . . . 1.22 109.319 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.09 4.53 75.65 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.87 -1.292 . . . . 1.5 109.87 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' D' ' 354' ' ' GLN . 21.5 mttt -85.94 114.33 22.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.129 -1.218 . . . . 4.18 109.406 -179.912 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 0.9 OUTLIER -50.78 158.3 1.15 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.255 -0.903 . . . . 5.67 109.655 -179.902 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 3.2 Cg_exo -61.05 143.61 99.16 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.098 1.865 . . . . 5.65 110.309 179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.02 -1.433 . . . . 7.27 109.561 179.959 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.345 -0.613 . . . . 7.33 109.345 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.87 153.27 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 7.21 109.452 -179.885 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 25.2 tttt 60.91 61.08 3.2 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.324 -0.86 . . . . 6.47 109.761 179.872 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.1 Cg_exo -60.96 177.47 0.68 Allowed 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.182 1.921 . . . . 4.53 109.971 179.709 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 73.8 mt -80.51 91.28 5.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.137 -0.977 . . . . 4.35 109.582 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -83.2 -179.0 7.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.497 -0.752 . . . . 2.48 109.367 179.615 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.414 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.4 165.88 49.12 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.538 . . . . 0.98 109.254 179.547 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -58.58 132.77 54.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -1.204 . . . . 1.7 109.508 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' CB ' ' A' ' 324' ' ' ASP . 11.9 m-85 -94.51 155.89 16.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.61 109.509 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.5 m-85 -140.11 -170.39 2.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.268 -0.895 . . . . 0.58 109.679 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 39.0 p -153.89 155.45 35.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.306 -0.871 . . . . 0.42 109.388 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -148.98 131.94 16.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.36 109.445 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 31.5 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.337 -0.852 . . . . 1.37 109.196 179.825 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.0 mt -123.99 116.76 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.131 -0.981 . . . . 0.47 109.695 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.04 148.68 41.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.4 -0.813 . . . . 2.1 109.612 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.11 8.19 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.704 -1.359 . . . . 0.42 109.704 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.0 ttt-85 -77.63 -56.06 4.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.35 -1.088 . . . . 2.68 109.384 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -43.21 88.04 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 2.22 109.423 179.851 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.62 -45.42 92.0 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.312 -0.868 . . . . 2.77 109.686 -179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.57 ' HD1' HD12 ' A' ' 332' ' ' ILE . 33.6 t80 -54.5 -57.42 11.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.347 -0.845 . . . . 0.43 109.429 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.31 -36.71 43.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.367 -0.833 . . . . 1.66 109.96 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.91 -47.59 82.61 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.271 -0.893 . . . . 0.44 110.1 -179.449 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -61.79 -53.93 49.3 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.272 -0.892 . . . . 0.29 109.257 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.3 -37.52 36.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.4 -0.813 . . . . 2.44 109.536 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.74 -45.17 95.34 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.176 -0.953 . . . . 1.74 109.693 -179.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.46 -43.76 98.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.226 -0.921 . . . . 0.3 109.377 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' C' ' 330' ' ' LEU . 42.4 t-20 -57.26 -46.88 82.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.299 -0.876 . . . . 1.22 109.697 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.0 -35.96 80.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.398 -0.814 . . . . 1.72 109.736 -179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.06 -50.01 75.4 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.263 -0.898 . . . . 0.27 110.129 -179.559 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.97 -42.31 98.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.29 109.674 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.99 -39.47 85.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.327 -0.858 . . . . 1.91 109.906 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.85 HD11 ' OE1' ' B' ' 354' ' ' GLN . 13.3 tp -63.74 -44.47 93.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.41 109.677 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -61.37 -39.28 90.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 1.56 109.137 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.61 -37.08 70.18 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.53 -0.731 . . . . 1.43 109.877 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.75 87.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.333 -0.855 . . . . 0.66 109.386 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.825 ' OE1' HD11 ' B' ' 350' ' ' LEU . 21.3 mt-30 -81.5 -1.88 47.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.18 109.559 179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.74 -87.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 1.23 109.232 179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.46 97.04 1.05 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.209 -1.557 . . . . 1.54 109.209 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -88.11 -90.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.203 -1.175 . . . . 4.18 109.783 -179.783 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.446 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 3.0 mt-10 -48.82 172.05 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.291 -0.88 . . . . 5.71 109.653 -179.744 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.446 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 1.8 Cg_endo -67.96 -2.63 9.06 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.304 2.003 . . . . 5.61 110.58 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.997 -1.446 . . . . 7.24 109.508 -179.989 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.386 -0.598 . . . . 7.34 109.386 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.84 153.17 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.253 -0.905 . . . . 7.17 109.436 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 25.0 tttt 60.9 61.13 3.2 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.363 -0.836 . . . . 6.44 109.833 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.1 Cg_exo -60.98 177.55 0.67 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.176 1.917 . . . . 4.54 110.019 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 73.0 mt -80.56 91.33 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 4.32 109.607 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -83.23 -178.94 7.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.433 -0.792 . . . . 2.47 109.357 179.683 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.421 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -69.45 165.89 49.24 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.172 -1.571 . . . . 0.95 109.172 179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -58.55 132.71 54.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.172 -1.193 . . . . 1.61 109.549 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.441 ' OH ' ' CB ' ' B' ' 324' ' ' ASP . 11.6 m-85 -94.43 155.89 16.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.57 109.513 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 64.3 m-85 -140.22 -170.57 3.0 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.53 109.659 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 38.9 p -153.81 155.49 35.91 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 0.38 109.398 -179.833 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -148.93 131.82 16.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.286 -0.884 . . . . 0.36 109.451 -179.741 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.65 33.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 1.36 109.185 179.776 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.603 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.8 mt -123.98 116.85 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.182 -0.949 . . . . 0.49 109.608 -179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -74.21 148.84 41.23 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.348 -0.845 . . . . 2.1 109.584 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.21 136.98 8.06 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.834 -1.306 . . . . 0.44 109.834 179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.515 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.0 ttt-85 -77.54 -56.07 4.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -1.129 . . . . 2.72 109.418 179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -42.97 88.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.869 . . . . 2.21 109.481 179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.75 -45.36 92.47 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.244 -0.91 . . . . 2.79 109.702 -179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.567 ' HD1' HD12 ' B' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.39 11.59 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.45 109.449 -179.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -51.3 -36.68 43.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -0.873 . . . . 1.68 109.975 -179.848 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.89 -47.66 82.36 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.178 -0.951 . . . . 0.43 110.092 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.603 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.5 m-85 -61.8 -53.84 50.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 0.28 109.264 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.34 -37.49 37.2 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.358 -0.839 . . . . 2.52 109.611 179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.59 -45.28 94.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 1.75 109.704 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.31 109.433 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.422 ' HB2' HD21 ' D' ' 330' ' ' LEU . 42.4 t-20 -57.31 -46.94 82.7 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 1.21 109.605 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.85 -36.1 80.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.69 109.714 -179.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.907 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.02 -50.1 75.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.378 -0.826 . . . . 0.27 110.12 -179.525 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 50.6 mt -60.93 -42.25 97.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -0.915 . . . . 0.3 109.724 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.91 -39.66 86.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.287 -0.883 . . . . 1.93 109.767 -179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.825 HD11 ' OE1' ' A' ' 354' ' ' GLN . 13.3 tp -63.69 -44.48 93.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.4 109.673 -179.676 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.42 -39.15 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.426 -0.796 . . . . 1.59 109.106 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.67 -37.13 70.41 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.571 -0.706 . . . . 1.43 109.782 179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.81 87.62 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -0.933 . . . . 0.65 109.405 -179.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.85 ' OE1' HD11 ' A' ' 350' ' ' LEU . 21.3 mt-30 -81.44 -1.93 47.65 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -0.844 . . . . 1.19 109.566 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.7 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.274 -0.891 . . . . 1.22 109.292 179.818 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.42 97.09 1.05 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.256 -1.538 . . . . 1.53 109.256 179.674 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.23 -90.68 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.133 -1.216 . . . . 4.21 109.769 -179.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.451 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 3.0 mt-10 -48.83 171.94 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.251 -0.906 . . . . 5.68 109.607 -179.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 1.8 Cg_endo -67.9 -2.58 8.93 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.275 1.983 . . . . 5.57 110.603 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 CA-C-O 117.932 -1.482 . . . . 7.2 109.502 179.959 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 20.3 mttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.439 -0.578 . . . . 8.96 109.439 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.79 153.16 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.285 -0.884 . . . . 8.15 109.42 -179.889 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.494 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 24.9 tttt 61.02 61.14 3.1 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.274 -0.891 . . . . 7.15 109.772 179.914 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.1 Cg_exo -61.04 177.59 0.68 Allowed 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.197 1.931 . . . . 4.35 109.9 179.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 72.6 mt -80.51 91.19 5.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.07 -1.018 . . . . 4.63 109.587 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' C' ' 327' ' ' TYR . 0.9 OUTLIER -83.13 -178.92 7.27 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.452 -0.78 . . . . 2.85 109.404 179.586 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -69.49 165.9 49.31 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.226 -1.55 . . . . 1.12 109.226 179.564 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -58.67 132.79 54.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.237 . . . . 2.11 109.479 -179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.444 ' OH ' ' CB ' ' C' ' 324' ' ' ASP . 11.7 m-85 -94.52 155.92 16.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.214 -0.929 . . . . 0.64 109.577 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.4 m-85 -140.2 -170.53 2.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.958 . . . . 0.49 109.646 -179.895 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.465 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 38.5 p -153.82 155.44 35.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -0.925 . . . . 0.47 109.367 -179.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -148.9 131.89 16.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.242 -0.911 . . . . 0.42 109.494 -179.809 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 31.6 tt0 -85.81 133.71 33.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -0.882 . . . . 1.81 109.134 179.809 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.611 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.4 mt -124.02 116.73 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.201 -0.937 . . . . 0.42 109.742 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -74.06 148.65 41.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.317 -0.864 . . . . 2.35 109.572 179.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.38 137.07 8.17 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.716 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt-85 -77.59 -56.23 4.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.26 -1.141 . . . . 2.59 109.365 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -43.09 87.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 2.54 109.472 179.848 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.84 -45.3 92.84 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.393 -0.817 . . . . 3.39 109.631 -179.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.557 ' HD1' HD12 ' C' ' 332' ' ' ILE . 33.7 t80 -54.55 -57.43 11.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -0.897 . . . . 0.47 109.474 -179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.16 -36.74 42.49 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.324 -0.86 . . . . 1.66 109.99 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.97 -47.58 82.55 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.252 -0.905 . . . . 0.61 110.033 -179.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.611 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.4 m-85 -61.94 -53.82 50.41 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.187 -0.945 . . . . 0.33 109.248 -179.865 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -50.3 -37.49 36.6 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.314 -0.866 . . . . 3.28 109.587 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.73 -45.13 95.44 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.107 -0.995 . . . . 1.78 109.696 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.68 -43.53 98.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -0.899 . . . . 0.38 109.351 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 330' ' ' LEU . 42.5 t-20 -57.35 -46.93 82.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.399 -0.813 . . . . 1.2 109.573 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -36.12 80.25 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.354 -0.841 . . . . 2.12 109.803 -179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.99 -50.07 75.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.339 -0.851 . . . . 0.26 110.128 -179.571 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.9 -42.34 97.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.4 109.652 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -59.92 -39.6 86.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.29 -0.881 . . . . 2.09 109.841 -179.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.794 HD11 ' OE1' ' D' ' 354' ' ' GLN . 13.3 tp -63.66 -44.49 93.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.75 109.714 -179.715 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -61.38 -39.17 89.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.362 -0.837 . . . . 2.19 109.177 179.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -56.66 -37.05 70.28 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.546 -0.721 . . . . 1.34 109.864 179.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.86 87.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.72 109.479 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.766 ' OE1' HD11 ' D' ' 350' ' ' LEU . 21.5 mt-30 -81.45 -1.89 47.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.331 -0.856 . . . . 1.8 109.597 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.69 -87.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.156 -0.965 . . . . 1.39 109.32 179.718 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.43 96.94 1.04 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.355 -1.498 . . . . 1.66 109.355 179.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.03 -90.73 0.12 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -1.166 . . . . 4.45 109.844 -179.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.458 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 3.0 mt-10 -48.71 171.95 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.921 . . . . 6.19 109.633 -179.846 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 1.8 Cg_endo -67.88 -2.66 9.05 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.282 1.988 . . . . 5.58 110.609 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.997 -1.446 . . . . 6.9 109.504 179.985 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 20.2 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.414 -0.588 . . . . 7.36 109.414 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 153.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.217 -0.927 . . . . 7.15 109.462 -179.898 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.496 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 24.9 tttt 60.94 61.04 3.19 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.229 -0.919 . . . . 6.5 109.79 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -61.0 177.56 0.67 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.202 1.935 . . . . 4.5 110.01 179.732 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 72.8 mt -80.57 91.25 5.78 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.045 -1.034 . . . . 4.32 109.663 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.447 ' CB ' ' OH ' ' D' ' 327' ' ' TYR . 0.9 OUTLIER -83.1 -179.1 7.33 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.506 -0.746 . . . . 2.46 109.444 179.651 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -69.38 165.89 49.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.27 -1.532 . . . . 0.97 109.27 179.525 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -58.63 132.81 54.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.155 -1.203 . . . . 1.67 109.438 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.447 ' OH ' ' CB ' ' D' ' 324' ' ' ASP . 11.8 m-85 -94.57 155.96 16.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.61 109.501 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 64.6 m-85 -140.23 -170.51 2.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -0.945 . . . . 0.56 109.637 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 39.0 p -153.81 155.41 35.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 0.43 109.369 -179.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -148.92 131.9 16.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.35 109.484 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 31.7 tt0 -85.88 133.58 33.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 1.37 109.13 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.617 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.3 mt -123.98 116.72 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.25 -0.906 . . . . 0.48 109.709 -179.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 -74.0 148.76 41.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.347 -0.846 . . . . 2.08 109.564 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.33 136.96 8.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.76 -1.336 . . . . 0.4 109.76 179.668 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' D' ' 335' ' ' ARG . 2.0 ttt-85 -77.54 -56.12 4.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.228 -1.16 . . . . 2.64 109.412 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -43.04 88.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.35 -0.844 . . . . 2.22 109.42 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -59.71 -45.43 92.17 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.3 -0.875 . . . . 2.74 109.687 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 33.8 t80 -54.56 -57.37 11.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.367 -0.833 . . . . 0.43 109.486 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -51.22 -36.83 43.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.317 -0.865 . . . . 1.69 109.95 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.7 ttp -62.8 -47.7 82.32 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.139 -0.975 . . . . 0.43 110.104 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.617 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -61.74 -53.91 49.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.134 -0.979 . . . . 0.27 109.178 -179.866 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -50.39 -37.45 37.65 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.433 -0.792 . . . . 2.45 109.546 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -60.64 -45.25 94.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.22 -0.925 . . . . 1.75 109.632 -179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.63 -43.54 98.66 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.167 -0.958 . . . . 0.31 109.42 -179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.4 ' HB2' HD21 ' B' ' 330' ' ' LEU . 42.3 t-20 -57.3 -46.96 82.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.349 -0.844 . . . . 1.22 109.668 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.86 -36.02 79.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.293 -0.879 . . . . 1.73 109.813 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.06 -50.02 75.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.373 -0.829 . . . . 0.28 110.112 -179.589 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.92 -42.42 98.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.31 109.676 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -59.94 -39.57 85.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.236 -0.915 . . . . 1.91 109.85 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.766 HD11 ' OE1' ' C' ' 354' ' ' GLN . 13.3 tp -63.6 -44.49 93.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.319 -0.863 . . . . 0.43 109.712 -179.774 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -61.47 -39.2 90.06 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.339 -0.851 . . . . 1.57 109.096 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.58 -37.12 70.17 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.471 -0.768 . . . . 1.44 109.866 179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.82 87.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.64 109.342 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.794 ' OE1' HD11 ' C' ' 350' ' ' LEU . 21.5 mt-30 -81.43 -1.91 47.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.347 -0.846 . . . . 1.21 109.637 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.74 -87.22 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.154 -0.966 . . . . 1.22 109.242 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.46 96.97 1.05 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.374 -1.49 . . . . 1.5 109.374 179.689 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -88.04 -90.76 0.12 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -1.164 . . . . 4.18 109.842 -179.706 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.459 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 3.0 mt-10 -48.77 172.04 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.257 -0.902 . . . . 5.67 109.642 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.459 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 1.9 Cg_endo -67.94 -2.64 9.07 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.317 2.011 . . . . 5.65 110.556 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 CA-C-O 117.914 -1.492 . . . . 7.27 109.493 179.988 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.452 -0.573 . . . . 7.33 109.452 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.67 28.9 17.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.186 -0.946 . . . . 7.21 109.391 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 59.52 71.52 0.91 Allowed Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.904 . . . . 6.47 109.28 -179.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.89 125.9 18.31 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.205 1.937 . . . . 4.53 110.442 -179.836 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.5 mt -84.85 44.04 1.04 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.194 -0.941 . . . . 4.35 109.785 179.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.15 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.487 -0.758 . . . . 2.48 109.527 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 160.43 49.47 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.539 -1.424 . . . . 0.98 109.539 -179.887 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.3 143.62 44.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -1.154 . . . . 1.7 109.622 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 13.4 m-85 -93.55 155.37 17.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.61 109.401 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.0 m-85 -139.26 -170.13 2.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.206 -0.934 . . . . 0.58 109.572 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.456 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.5 p -153.52 160.72 42.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.271 -0.893 . . . . 0.42 109.561 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.5 tp -149.12 133.18 17.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.272 -0.893 . . . . 0.36 109.432 -179.79 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -85.88 130.87 34.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.253 -0.905 . . . . 1.37 109.647 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 341' ' ' PHE . 58.6 mt -123.93 120.44 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.279 -0.888 . . . . 0.47 109.488 179.77 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.57 152.95 40.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 2.1 109.525 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.14 137.02 3.86 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.802 -1.319 . . . . 0.42 109.802 179.693 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.561 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttp180 -82.98 -52.07 7.0 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.299 -1.118 . . . . 2.68 109.407 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -58.13 -46.75 85.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.331 -0.856 . . . . 2.22 109.241 179.896 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.67 -40.06 90.7 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.327 -0.858 . . . . 2.77 109.325 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' C' ' 329' ' ' THR . 55.8 t80 -55.38 -54.95 37.27 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.395 -0.815 . . . . 0.43 109.658 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.4 -36.02 30.93 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.331 -0.856 . . . . 1.66 109.971 -179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -62.7 -47.86 81.8 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.158 -0.964 . . . . 0.44 109.928 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.359 -0.838 . . . . 0.29 109.306 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.34 -36.75 44.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.299 -0.875 . . . . 2.44 109.639 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.17 -50.01 75.38 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.045 -1.034 . . . . 1.74 109.712 -179.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' B' ' 344' ' ' LEU . 55.6 mt -61.07 -34.22 74.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.314 -0.866 . . . . 0.3 108.849 179.822 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.595 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.9 t-20 -59.24 -55.09 39.26 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.441 -0.787 . . . . 1.22 109.559 179.596 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.13 -28.24 69.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.445 -0.785 . . . . 1.72 109.807 -179.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.77 -52.53 65.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.136 -0.978 . . . . 0.27 110.1 -179.692 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.09 -41.23 96.26 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.249 -0.907 . . . . 0.29 109.639 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.44 -36.94 76.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.257 -0.902 . . . . 1.91 109.538 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.75 HD11 HE21 ' B' ' 354' ' ' GLN . 4.8 tp -64.35 -45.08 89.34 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.284 -0.885 . . . . 0.41 109.718 -179.886 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.8 -38.86 89.67 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.247 -0.908 . . . . 1.56 109.136 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.1 -34.41 65.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.537 -0.727 . . . . 1.43 109.621 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.68 70.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.347 -0.846 . . . . 0.66 109.589 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.604 HE21 HD11 ' B' ' 350' ' ' LEU . 0.1 OUTLIER -81.26 2.0 29.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 1.18 109.783 -179.876 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.03 -81.32 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.082 -1.011 . . . . 1.23 109.266 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 39.39 3.01 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.735 -1.346 . . . . 1.54 109.735 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -87.4 111.12 20.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -1.181 . . . . 4.18 109.395 179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.21 138.86 19.59 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.204 -0.935 . . . . 5.71 109.575 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.45 -160.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.075 1.85 . . . . 5.61 110.158 179.922 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.981 -1.455 . . . . 7.24 109.595 179.953 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.442 -0.577 . . . . 7.34 109.442 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.82 28.77 17.87 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.203 -0.936 . . . . 7.17 109.37 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 9.9 mttt 59.61 71.52 0.9 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.198 -0.939 . . . . 6.44 109.304 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.0 125.97 18.4 Favored 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.26 1.973 . . . . 4.54 110.456 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.7 mt -84.94 44.04 1.04 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.348 -0.845 . . . . 4.32 109.729 179.824 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.424 ' HB3' ' NH1' ' D' ' 333' ' ' ARG . 2.1 m-20 -79.21 -145.79 0.04 OUTLIER 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.302 -0.874 . . . . 2.47 109.497 -179.812 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.08 160.51 48.54 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.556 -1.417 . . . . 0.95 109.556 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.46 143.7 44.65 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.356 -1.085 . . . . 1.61 109.632 -179.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 13.7 m-85 -93.54 155.4 17.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 0.57 109.337 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.571 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -139.24 -170.03 2.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.53 109.579 -179.897 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.483 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.5 p -153.59 160.63 42.5 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.144 -0.973 . . . . 0.38 109.546 -179.823 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.5 tp -149.11 133.21 17.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 0.36 109.408 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 36.3 tt0 -85.9 131.05 34.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.198 -0.939 . . . . 1.36 109.64 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.449 HD13 ' HB2' ' B' ' 341' ' ' PHE . 59.0 mt -124.02 120.46 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.211 -0.931 . . . . 0.49 109.451 179.774 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.66 152.86 40.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.249 -0.907 . . . . 2.1 109.526 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.28 136.95 3.92 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.81 -1.316 . . . . 0.44 109.81 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 18.2 ttp180 -82.96 -52.16 6.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.343 -1.092 . . . . 2.72 109.384 179.852 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.93 -46.94 84.25 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.324 -0.86 . . . . 2.21 109.205 179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.52 -40.23 90.71 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.339 -0.851 . . . . 2.79 109.341 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' D' ' 329' ' ' THR . 55.9 t80 -55.29 -54.93 37.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.472 -0.768 . . . . 0.45 109.721 -179.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -50.42 -36.03 31.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.813 . . . . 1.68 109.91 -179.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.58 -47.9 81.79 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.122 -0.986 . . . . 0.43 109.977 -179.616 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.449 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.9 m-85 -61.3 -51.31 69.41 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.159 -0.963 . . . . 0.28 109.254 -179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -51.44 -36.76 45.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 2.52 109.599 179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.13 -49.97 75.53 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.192 -0.942 . . . . 1.75 109.752 -179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.692 HD22 HD22 ' A' ' 344' ' ' LEU . 55.5 mt -60.99 -34.33 74.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.31 108.919 179.743 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.9 t-20 -59.16 -55.16 38.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.427 -0.795 . . . . 1.21 109.519 179.644 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.09 -28.2 69.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.324 -0.86 . . . . 1.69 109.821 -179.716 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.594 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.87 -52.47 65.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.27 110.053 -179.651 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.13 -41.14 96.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.84 . . . . 0.3 109.676 -179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.4 -37.01 76.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.898 . . . . 1.93 109.554 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.62 HD23 HD23 ' A' ' 350' ' ' LEU . 4.8 tp -64.31 -45.08 89.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.429 -0.794 . . . . 0.4 109.78 -179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.72 -38.9 89.63 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.333 -0.854 . . . . 1.59 109.178 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.08 -34.49 66.02 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.461 -0.775 . . . . 1.43 109.572 179.803 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -47.69 70.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.65 109.533 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.75 HE21 HD11 ' A' ' 350' ' ' LEU . 0.1 OUTLIER -81.22 1.91 30.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.195 -0.94 . . . . 1.19 109.795 -179.874 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.06 -81.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -0.948 . . . . 1.22 109.248 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 39.35 3.01 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.675 -1.37 . . . . 1.53 109.675 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -87.37 111.07 20.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -1.152 . . . . 4.21 109.427 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.19 138.89 19.43 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 5.68 109.532 -179.855 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.44 -160.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.048 1.832 . . . . 5.57 110.221 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.987 -1.452 . . . . 7.2 109.552 179.933 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 29.8 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.502 -0.555 . . . . 8.96 109.502 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.74 28.82 17.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 8.15 109.34 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 59.44 71.6 0.91 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.217 -0.927 . . . . 7.15 109.33 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.95 126.01 18.55 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.134 1.889 . . . . 4.35 110.489 -179.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.96 44.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.272 -0.893 . . . . 4.63 109.698 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.13 -145.72 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.409 -0.807 . . . . 2.85 109.47 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.25 160.48 48.93 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.495 -1.442 . . . . 1.12 109.495 -179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.46 143.72 44.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -1.132 . . . . 2.11 109.557 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.4 m-85 -93.61 155.39 17.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.282 -0.887 . . . . 0.64 109.34 179.897 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.3 m-85 -139.23 -170.04 2.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.159 -0.963 . . . . 0.49 109.632 -179.894 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.8 p -153.56 160.69 42.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.47 109.586 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.5 tp -149.12 133.16 17.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.42 109.448 -179.748 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -86.01 130.92 34.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.81 109.624 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' C' ' 341' ' ' PHE . 58.2 mt -123.9 120.34 59.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.201 -0.937 . . . . 0.42 109.533 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -73.62 152.92 40.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.176 -0.953 . . . . 2.35 109.589 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.13 136.99 3.84 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.857 -1.297 . . . . 0.41 109.857 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 18.0 ttp180 -83.0 -51.98 7.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.3 -1.118 . . . . 2.59 109.49 179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.0 -46.78 84.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 2.54 109.324 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -60.74 -40.13 91.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.327 -0.858 . . . . 3.39 109.338 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.456 ' CE1' ' O ' ' A' ' 329' ' ' THR . 55.9 t80 -55.37 -54.88 38.09 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.406 -0.808 . . . . 0.47 109.746 -179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -35.98 30.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.298 -0.876 . . . . 1.66 109.992 -179.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.64 -47.82 82.03 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.14 -0.975 . . . . 0.61 109.982 -179.618 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.444 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.38 -51.17 69.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.33 109.301 -179.895 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.5 -36.73 45.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 3.28 109.696 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.1 -50.01 75.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.183 -0.948 . . . . 1.78 109.734 -179.757 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' D' ' 344' ' ' LEU . 55.4 mt -60.96 -34.39 74.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.38 108.846 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.575 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.9 t-20 -59.19 -55.08 39.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.432 -0.793 . . . . 1.2 109.521 179.707 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.13 -28.22 69.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 2.12 109.828 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.88 -52.41 65.55 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.201 -0.937 . . . . 0.26 110.095 -179.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.06 -41.33 96.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.4 109.645 -179.66 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.27 -37.06 76.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 2.09 109.53 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.764 HD11 HE21 ' D' ' 354' ' ' GLN . 4.8 tp -64.28 -45.03 89.83 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.343 -0.848 . . . . 0.75 109.769 -179.839 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.78 -38.85 89.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.3 -0.875 . . . . 2.19 109.166 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.1 -34.39 65.97 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.463 -0.773 . . . . 1.34 109.622 179.764 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.2 -47.76 69.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.308 -0.87 . . . . 0.72 109.56 -179.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.625 HE21 HD11 ' D' ' 350' ' ' LEU . 0.1 OUTLIER -81.23 2.01 29.77 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.321 -0.862 . . . . 1.8 109.706 -179.819 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.13 -81.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 1.39 109.23 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.69 39.4 3.02 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.676 -1.37 . . . . 1.66 109.676 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -87.45 111.07 20.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.169 -1.195 . . . . 4.45 109.362 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.19 138.92 19.45 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.201 -0.937 . . . . 6.19 109.5 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.45 -161.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.12 1.88 . . . . 5.58 110.187 179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.029 -1.428 . . . . 6.9 109.611 179.989 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 29.5 mttt . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.287 0.565 . . . . 7.36 109.522 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 20.1 mtmt 58.72 28.79 17.76 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.905 . . . . 7.15 109.392 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 59.57 71.46 0.92 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 6.5 109.312 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.9 125.9 18.3 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.197 1.931 . . . . 4.5 110.535 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' D' ' 323' ' ' LEU . 22.4 mt -84.9 44.12 1.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.255 -0.903 . . . . 4.32 109.678 179.836 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -79.12 -145.66 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.376 -0.827 . . . . 2.46 109.505 -179.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.28 160.41 49.04 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.457 -1.457 . . . . 0.97 109.457 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.36 143.67 44.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.218 -1.166 . . . . 1.67 109.581 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 13.2 m-85 -93.69 155.44 17.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.29 -0.881 . . . . 0.61 109.3 179.858 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 67.0 m-85 -139.29 -170.12 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.018 . . . . 0.56 109.554 -179.747 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.6 p -153.42 160.78 42.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.43 109.618 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.5 tp -149.22 133.17 17.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.35 109.393 -179.816 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 36.3 tt0 -85.96 130.98 34.38 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.311 -0.868 . . . . 1.37 109.666 -179.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 58.4 mt -123.99 120.46 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.219 -0.925 . . . . 0.48 109.472 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' B' ' 324' ' ' ASP . 1.9 ttp180 -73.62 152.91 40.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.215 -0.928 . . . . 2.08 109.601 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.17 137.0 3.87 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.819 -1.312 . . . . 0.4 109.819 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 18.1 ttp180 -83.01 -52.16 6.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.345 -1.091 . . . . 2.64 109.315 179.871 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -57.89 -46.98 84.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 2.22 109.313 179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -60.51 -40.1 90.18 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.409 -0.807 . . . . 2.74 109.462 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.483 ' CE1' ' O ' ' B' ' 329' ' ' THR . 56.0 t80 -55.33 -54.97 36.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.46 -0.775 . . . . 0.43 109.731 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -50.38 -36.06 30.86 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 1.69 109.91 -179.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.56 -48.03 81.26 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.193 -0.942 . . . . 0.43 109.816 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.45 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.23 -51.28 69.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.16 -0.962 . . . . 0.27 109.31 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.44 -36.66 44.92 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.478 -0.764 . . . . 2.45 109.736 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.12 -50.1 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.18 -0.95 . . . . 1.75 109.729 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.777 HD22 HD22 ' C' ' 344' ' ' LEU . 55.4 mt -60.89 -34.34 74.5 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.205 -0.935 . . . . 0.31 108.905 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.0 t-20 -59.22 -55.18 38.15 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.382 -0.824 . . . . 1.22 109.51 179.706 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.95 -28.3 69.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.482 -0.761 . . . . 1.73 109.909 -179.795 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -52.49 65.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.103 -0.998 . . . . 0.28 110.068 -179.592 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 47.5 mt -61.08 -41.22 96.23 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.25 -0.906 . . . . 0.31 109.706 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -37.03 76.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.212 -0.93 . . . . 1.91 109.454 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.728 HD23 HD23 ' C' ' 350' ' ' LEU . 4.8 tp -64.33 -45.13 89.18 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.21 -0.932 . . . . 0.43 109.657 -179.785 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -61.66 -38.98 89.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.319 -0.863 . . . . 1.57 109.223 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -56.04 -34.51 65.96 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.414 -0.804 . . . . 1.44 109.545 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -47.77 70.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.64 109.607 -179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.764 HE21 HD11 ' C' ' 350' ' ' LEU . 0.1 OUTLIER -81.28 2.01 29.93 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 1.21 109.67 -179.808 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.05 -81.31 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.21 -0.931 . . . . 1.22 109.302 179.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.61 39.41 3.01 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.699 -1.36 . . . . 1.5 109.699 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -87.4 111.1 20.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.099 -1.236 . . . . 4.18 109.347 179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.24 138.79 19.88 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 5.67 109.53 -179.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.3 -160.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.12 1.88 . . . . 5.65 110.135 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 CA-C-O 118.028 -1.429 . . . . 7.27 109.57 179.883 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 320' ' ' LYS . 3.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.478 -0.564 . . . . 7.33 109.478 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.523 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER 59.72 21.19 9.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.404 -0.81 . . . . 7.21 109.773 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.69 106.01 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 6.47 109.177 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.28 -160.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.05 1.833 . . . . 4.53 110.404 -179.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 50.5 mt -80.11 148.03 31.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.341 -0.849 . . . . 4.35 109.543 -179.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.36 -150.89 0.06 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.218 -0.926 . . . . 2.48 109.425 179.938 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.06 171.68 35.06 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.49 -1.444 . . . . 0.98 109.49 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -58.13 141.0 51.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -1.104 . . . . 1.7 109.423 -179.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -93.11 156.93 16.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.61 109.582 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.2 m-85 -138.89 -169.08 2.55 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.175 -0.953 . . . . 0.58 109.574 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.31 158.24 41.29 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.212 -0.93 . . . . 0.42 109.368 -179.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 10.9 tp -148.67 134.83 19.28 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.271 -0.893 . . . . 0.36 109.51 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 32.4 tt0 -86.66 129.47 34.86 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.348 -0.845 . . . . 1.37 109.514 179.866 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 338' ' ' PHE . 34.5 mt -123.97 115.32 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.122 -0.986 . . . . 0.47 109.611 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 149.25 41.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 2.1 109.468 179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.13 137.76 6.91 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 10.7 ttm180 -83.91 -51.54 7.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -1.198 . . . . 2.68 109.475 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.63 -46.24 87.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.336 -0.853 . . . . 2.22 109.654 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.51 -42.21 95.94 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.331 -0.855 . . . . 2.77 109.529 -179.718 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.2 t80 -55.56 -52.82 62.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.42 -0.8 . . . . 0.43 109.773 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.19 -37.06 44.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.252 -0.905 . . . . 1.66 110.174 -179.537 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.83 -48.2 80.1 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.127 -0.983 . . . . 0.44 110.026 -179.289 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.93 -49.0 79.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.211 -0.93 . . . . 0.29 109.345 -179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.49 -40.84 60.32 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.336 -0.852 . . . . 2.44 109.7 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.38 -41.44 97.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 1.74 109.87 -179.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' B' ' 344' ' ' LEU . 65.5 mt -62.77 -46.31 88.63 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.269 -0.894 . . . . 0.3 109.577 -179.726 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -57.97 -46.94 84.36 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.339 -0.85 . . . . 1.22 109.648 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -34.37 76.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 1.72 109.827 -179.619 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.74 -53.43 57.44 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.27 109.856 -179.667 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.01 -40.33 93.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.29 109.513 -179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.11 -35.98 76.44 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -0.851 . . . . 1.91 109.474 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.36 -44.01 92.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.375 -0.828 . . . . 0.41 109.279 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.401 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 3.4 ttmm -61.41 -43.32 99.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.384 -0.823 . . . . 1.56 108.863 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.15 -30.24 64.27 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.493 -0.754 . . . . 1.43 109.388 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -65.28 -46.09 81.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.388 -0.82 . . . . 0.66 109.278 -179.853 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -80.98 -3.06 50.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.396 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.95 -76.69 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.23 109.753 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.08 -0.91 30.69 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.361 -1.096 . . . . 1.54 110.361 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 6.8 mtmt -84.92 -87.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.886 -1.361 . . . . 4.18 109.271 179.715 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.1 121.78 21.14 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.279 -0.888 . . . . 5.71 109.35 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -59.89 130.84 36.56 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.925 1.75 . . . . 5.61 110.404 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.989 -1.45 . . . . 7.24 109.493 179.843 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' B' ' 320' ' ' LYS . 3.6 mttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.411 -0.589 . . . . 7.34 109.411 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.521 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 59.76 21.11 9.89 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.46 -0.775 . . . . 7.17 109.671 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.81 106.01 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 6.44 109.159 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.12 -161.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.062 1.841 . . . . 4.54 110.468 -179.761 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.11 148.08 31.13 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 4.32 109.515 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.47 -151.23 0.06 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.294 -0.879 . . . . 2.47 109.321 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.43 171.74 32.61 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.545 -1.422 . . . . 0.95 109.545 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.24 141.06 51.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -1.126 . . . . 1.61 109.387 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.24 156.98 16.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -0.908 . . . . 0.57 109.552 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.9 m-85 -138.95 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.53 109.475 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 47.3 p -153.32 158.25 41.29 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.38 109.401 -179.838 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.61 134.81 19.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.36 109.571 -179.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.73 129.34 34.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.457 -0.777 . . . . 1.36 109.476 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' B' ' 338' ' ' PHE . 34.4 mt -123.87 115.49 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.216 -0.927 . . . . 0.49 109.672 179.811 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 149.36 41.51 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 2.1 109.468 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.03 137.83 6.89 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.78 -1.328 . . . . 0.44 109.78 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.512 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 10.7 ttm180 -83.95 -51.39 7.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.249 -1.148 . . . . 2.72 109.516 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.86 -46.11 88.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.89 . . . . 2.21 109.575 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.57 -42.12 95.99 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.253 -0.904 . . . . 2.79 109.564 -179.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' B' ' 332' ' ' ILE . 76.5 t80 -55.55 -52.94 62.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.453 -0.779 . . . . 0.45 109.758 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.15 -37.09 44.22 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.68 110.166 -179.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.81 -48.09 80.6 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.153 -0.967 . . . . 0.43 110.122 -179.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.97 -49.09 78.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.28 109.313 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.37 -40.98 60.3 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.312 -0.868 . . . . 2.52 109.667 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.41 -41.34 97.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.149 -0.969 . . . . 1.75 109.855 -179.756 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.538 HD22 HD22 ' A' ' 344' ' ' LEU . 65.6 mt -62.74 -46.42 88.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.235 -0.915 . . . . 0.31 109.566 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -57.99 -46.74 84.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.385 -0.822 . . . . 1.21 109.77 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -34.31 76.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.318 -0.864 . . . . 1.69 109.803 -179.652 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.641 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.71 -53.42 57.59 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.262 -0.899 . . . . 0.27 109.837 -179.704 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.04 -40.35 93.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.249 -0.907 . . . . 0.3 109.571 -179.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -60.06 -36.0 76.37 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.311 -0.868 . . . . 1.93 109.48 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.704 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.27 -44.12 92.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.295 -0.878 . . . . 0.4 109.266 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.32 99.06 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.41 -0.806 . . . . 1.59 108.97 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.23 -30.15 64.36 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.574 -0.704 . . . . 1.43 109.381 179.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -65.39 -45.97 81.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.42 -0.8 . . . . 0.65 109.344 -179.857 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.02 -2.91 49.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 1.19 109.476 179.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.12 -76.57 0.1 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 1.22 109.759 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.06 -1.06 31.4 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.37 -1.092 . . . . 1.53 110.37 -179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 6.8 mtmt -84.73 -87.1 0.12 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.289 . . . . 4.21 109.317 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -52.17 121.86 21.79 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.154 -0.966 . . . . 5.68 109.287 179.779 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -60.1 130.83 36.06 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.947 1.765 . . . . 5.57 110.371 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.929 -1.484 . . . . 7.2 109.541 179.978 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' C' ' 320' ' ' LYS . 3.7 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.548 -0.538 . . . . 8.96 109.548 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 59.84 21.15 10.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.42 -0.8 . . . . 8.15 109.633 179.901 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.78 105.88 0.03 OUTLIER Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.089 -1.007 . . . . 7.15 109.256 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.17 -160.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 121.969 1.779 . . . . 4.35 110.452 -179.654 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.12 148.11 31.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.225 -0.922 . . . . 4.63 109.463 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.38 -151.17 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.29 -0.881 . . . . 2.85 109.355 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.67 171.75 33.48 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.591 -1.403 . . . . 1.12 109.591 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -58.23 141.07 51.85 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -1.096 . . . . 2.11 109.385 -179.873 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.28 156.91 16.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.109 -0.994 . . . . 0.64 109.507 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.0 m-85 -138.84 -169.18 2.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.218 -0.926 . . . . 0.49 109.444 -179.852 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 47.5 p -153.2 158.4 41.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.47 109.399 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.0 tp -148.8 134.84 19.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.283 -0.886 . . . . 0.42 109.573 -179.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 32.4 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.356 -0.84 . . . . 1.81 109.454 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' C' ' 338' ' ' PHE . 34.7 mt -123.95 115.45 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.184 -0.948 . . . . 0.42 109.576 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.87 149.27 41.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 2.35 109.497 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.08 137.8 6.91 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 10.7 ttm180 -83.94 -51.44 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.298 -1.119 . . . . 2.59 109.489 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.8 -46.21 88.1 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.315 -0.865 . . . . 2.54 109.591 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.46 -42.17 95.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.284 -0.885 . . . . 3.39 109.632 -179.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.463 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.8 t80 -55.56 -52.9 62.17 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.372 -0.83 . . . . 0.47 109.765 -179.914 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.08 -37.18 44.14 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.293 -0.88 . . . . 1.66 110.123 -179.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.91 -48.01 80.79 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.098 -1.001 . . . . 0.61 110.118 -179.198 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -61.04 -48.87 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.115 -0.99 . . . . 0.33 109.412 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -51.43 -40.89 60.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.33 -0.856 . . . . 3.28 109.645 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.53 -41.29 97.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.186 -0.946 . . . . 1.78 109.841 -179.698 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' D' ' 344' ' ' LEU . 65.6 mt -62.73 -46.34 88.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.288 -0.882 . . . . 0.38 109.562 -179.79 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -58.03 -46.86 84.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.384 -0.823 . . . . 1.2 109.762 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -34.57 76.93 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.899 . . . . 2.12 109.885 -179.739 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.5 -53.5 56.75 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.301 -0.874 . . . . 0.26 109.916 -179.72 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.03 -40.37 93.32 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.306 -0.871 . . . . 0.4 109.543 -179.676 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.04 -36.05 76.45 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.276 -0.89 . . . . 2.09 109.412 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.711 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.31 -44.02 92.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.358 -0.839 . . . . 0.75 109.358 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.35 -43.34 99.04 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.399 -0.813 . . . . 2.19 108.951 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -57.08 -30.36 64.25 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.624 -0.673 . . . . 1.34 109.388 179.462 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -65.22 -45.99 82.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.483 -0.761 . . . . 0.72 109.432 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.16 -2.87 50.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.23 -0.919 . . . . 1.8 109.369 179.672 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.99 -76.7 0.1 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 1.39 109.744 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.02 -1.04 30.96 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.363 -1.095 . . . . 1.66 110.363 -179.442 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 6.8 mtmt -84.79 -87.26 0.12 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.977 -1.307 . . . . 4.45 109.209 179.825 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -51.96 121.84 20.72 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 6.19 109.334 179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -60.08 130.81 36.03 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 121.955 1.77 . . . . 5.58 110.348 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 117.927 -1.485 . . . . 6.9 109.534 179.914 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' D' ' 320' ' ' LYS . 3.6 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.567 -0.531 . . . . 7.36 109.567 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 59.88 21.06 10.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.414 -0.804 . . . . 7.15 109.761 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.82 105.96 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 6.5 109.229 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.19 -160.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.003 1.802 . . . . 4.5 110.595 -179.725 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 51.4 mt -80.19 148.12 31.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.35 -0.844 . . . . 4.32 109.496 -179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.46 -151.15 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 2.46 109.28 179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 171.7 33.35 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.592 -1.403 . . . . 0.97 109.592 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -58.17 140.94 51.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.315 -1.109 . . . . 1.67 109.414 -179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -93.07 157.05 16.49 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 0.61 109.536 -179.966 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.512 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.0 m-85 -138.89 -169.11 2.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.56 109.58 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 48.2 p -153.26 158.32 41.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.282 -0.886 . . . . 0.43 109.464 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -148.71 134.82 19.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.35 109.557 -179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -86.67 129.31 34.92 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.366 -0.834 . . . . 1.37 109.452 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' D' ' 338' ' ' PHE . 34.8 mt -123.92 115.48 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.48 109.634 179.83 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.85 149.25 41.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 2.08 109.509 179.784 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.16 137.79 6.95 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.717 -1.353 . . . . 0.4 109.717 179.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 10.7 ttm180 -83.92 -51.51 7.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 2.64 109.418 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -58.87 -46.05 88.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 2.22 109.502 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -60.6 -42.17 96.25 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.233 -0.917 . . . . 2.74 109.515 -179.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.461 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.7 t80 -55.57 -52.8 62.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.449 -0.782 . . . . 0.43 109.799 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -51.13 -37.22 44.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.292 -0.88 . . . . 1.69 110.096 -179.509 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.0 ttp -62.79 -48.11 80.53 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.133 -0.98 . . . . 0.43 110.062 -179.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.13 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.216 -0.927 . . . . 0.27 109.276 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -51.54 -40.88 60.53 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.312 -0.868 . . . . 2.45 109.582 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -41.27 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.177 -0.952 . . . . 1.75 109.807 -179.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.598 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -62.68 -46.48 87.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.135 -0.978 . . . . 0.31 109.552 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.03 -46.81 84.7 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.339 -0.851 . . . . 1.22 109.705 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -34.33 76.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 1.73 109.941 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.73 -53.34 58.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.25 -0.906 . . . . 0.28 109.875 -179.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.16 -40.28 93.25 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.866 . . . . 0.31 109.473 -179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -60.09 -36.03 76.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.87 . . . . 1.91 109.36 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.714 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.32 -44.02 92.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.34 -0.85 . . . . 0.43 109.296 -179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -61.36 -43.38 98.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.346 -0.846 . . . . 1.57 108.942 179.678 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.07 -30.31 64.18 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.577 -0.702 . . . . 1.44 109.42 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -65.32 -45.94 82.3 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.379 -0.825 . . . . 0.64 109.371 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.14 -2.93 50.38 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.21 109.384 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.0 -76.67 0.1 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.377 -0.827 . . . . 1.22 109.707 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.09 -0.96 30.96 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.348 -1.101 . . . . 1.5 110.348 -179.429 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 6.8 mtmt -84.83 -87.26 0.12 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.9 -1.353 . . . . 4.18 109.197 179.833 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -52.09 121.91 21.55 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.155 -0.966 . . . . 5.67 109.317 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -60.1 130.86 36.18 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.89 1.727 . . . . 5.65 110.4 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.873 -1.515 . . . . 7.27 109.579 179.97 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.309 0.576 . . . . 7.33 109.487 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.29 172.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 7.21 109.552 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.7 OUTLIER 59.62 63.94 3.14 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.231 -0.918 . . . . 6.47 109.706 179.764 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.4 Cg_endo -61.73 122.6 11.25 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.051 1.834 . . . . 4.53 109.894 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.69 94.23 6.93 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.124 -0.985 . . . . 4.35 109.863 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 3.7 m-20 -82.75 -174.02 4.99 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.445 -0.785 . . . . 2.48 109.153 179.372 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.32 177.6 28.81 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.062 -1.615 . . . . 0.98 109.062 179.465 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.9 135.09 56.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.071 -1.252 . . . . 1.7 109.165 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 44.7 m-85 -92.05 155.06 18.35 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.136 -0.977 . . . . 0.61 109.657 -179.675 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.5 m-85 -139.62 -168.97 2.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.389 -0.819 . . . . 0.58 109.353 -179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 40.7 p -152.87 160.16 43.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.138 -0.976 . . . . 0.42 109.527 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' C' ' 329' ' ' THR . 13.2 tp -148.92 133.13 17.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 0.36 109.59 -179.816 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 16.1 tt0 -85.62 129.86 34.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.298 -0.876 . . . . 1.37 109.27 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.0 mt -123.34 110.9 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.47 109.593 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 145.15 46.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.341 -0.849 . . . . 2.1 109.383 179.78 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.33 8.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.61 -1.396 . . . . 0.42 109.61 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.8 OUTLIER -78.27 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -1.166 . . . . 2.68 109.4 179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.25 -40.14 81.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.865 . . . . 2.22 109.571 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.25 -44.88 96.53 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.365 -0.835 . . . . 2.77 109.674 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CD1' HD12 ' A' ' 332' ' ' ILE . 48.5 t80 -54.87 -53.27 57.63 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 0.43 109.545 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -50.93 -34.27 27.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.318 -0.864 . . . . 1.66 109.793 -179.78 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 10.6 ttp -62.91 -49.01 76.48 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.118 -0.989 . . . . 0.44 109.885 -179.592 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -61.09 -53.42 57.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.151 -0.968 . . . . 0.29 109.234 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -51.01 -34.64 30.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.426 -0.796 . . . . 2.44 109.55 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 340' ' ' MET . 0.9 OUTLIER -60.01 -50.28 74.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.149 -0.969 . . . . 1.74 109.528 -179.857 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' B' ' 344' ' ' LEU . 49.0 mt -60.99 -34.2 74.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.264 -0.898 . . . . 0.3 108.855 179.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.523 -0.735 . . . . 1.22 109.492 179.574 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.9 -31.3 72.33 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.42 -0.8 . . . . 1.72 109.872 -179.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.4 -56.71 17.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.318 -0.864 . . . . 0.27 110.045 -179.814 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.84 -41.64 96.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.29 109.696 -179.678 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.85 -35.2 74.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.233 -0.917 . . . . 1.91 109.483 179.84 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.1 tp -65.9 -42.89 89.64 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 0.41 109.422 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 31.3 ttmt -61.16 -44.32 97.49 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.704 -0.85 . . . . 1.56 108.704 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -57.42 -32.79 67.23 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.579 -0.7 . . . . 1.43 109.457 179.53 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -33.54 75.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.271 -0.893 . . . . 0.66 109.56 -179.764 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.463 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -82.72 -11.48 58.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.229 -0.919 . . . . 1.18 109.384 179.908 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.97 -4.54 32.9 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.241 -0.912 . . . . 1.23 109.583 179.599 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 18.18 28.9 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.143 -1.183 . . . . 1.54 110.143 -179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -84.63 154.03 22.8 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.058 -1.26 . . . . 4.18 109.363 179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.3 161.06 0.49 Allowed Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.149 -0.969 . . . . 5.71 109.573 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.45 -159.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.227 1.951 . . . . 5.61 110.244 179.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 118.043 -1.421 . . . . 7.24 109.596 179.996 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.444 -0.576 . . . . 7.34 109.444 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.27 172.25 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.219 -0.926 . . . . 7.17 109.566 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.451 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.7 OUTLIER 59.6 64.0 3.13 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.878 . . . . 6.44 109.81 179.822 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.4 Cg_endo -61.8 122.63 11.28 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.075 1.85 . . . . 4.54 109.85 179.812 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 28.1 mt -81.71 94.37 6.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.953 . . . . 4.32 109.811 -179.821 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.461 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 3.7 m-20 -82.97 -174.01 5.04 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.327 -0.858 . . . . 2.47 109.05 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.31 177.82 28.36 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.046 -1.622 . . . . 0.95 109.046 179.498 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.06 135.25 56.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.084 -1.245 . . . . 1.61 109.166 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 43.8 m-85 -92.1 154.95 18.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.961 . . . . 0.57 109.671 -179.635 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 86.7 m-85 -139.63 -168.98 2.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.353 -0.842 . . . . 0.53 109.348 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 40.4 p -152.8 160.25 43.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.169 -0.957 . . . . 0.38 109.537 -179.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.0 133.17 17.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.289 -0.882 . . . . 0.36 109.544 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.56 129.84 34.72 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.261 -0.9 . . . . 1.36 109.311 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.522 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.1 mt -123.48 110.83 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.169 -0.957 . . . . 0.49 109.607 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 145.04 46.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.1 109.375 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.42 134.3 8.43 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.636 -1.386 . . . . 0.44 109.636 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.579 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.8 OUTLIER -78.21 -61.56 1.96 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -1.078 . . . . 2.72 109.48 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -58.22 -40.37 81.48 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.379 -0.825 . . . . 2.21 109.547 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.06 -44.89 96.7 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.249 -0.907 . . . . 2.79 109.692 -179.848 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.522 ' CD1' HD12 ' B' ' 332' ' ' ILE . 48.9 t80 -54.84 -53.17 58.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.45 109.687 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.96 -34.35 28.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.28 -0.887 . . . . 1.68 109.777 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' B' ' 343' ' ' GLU . 10.6 ttp -62.83 -49.1 76.22 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.183 -0.948 . . . . 0.43 109.905 -179.61 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.469 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.4 m-85 -60.92 -53.51 56.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.353 -0.842 . . . . 0.28 109.25 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.6 30.63 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 2.52 109.451 179.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' B' ' 340' ' ' MET . 0.9 OUTLIER -59.99 -50.28 74.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.182 -0.949 . . . . 1.75 109.532 -179.895 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.088 HD22 HD22 ' A' ' 344' ' ' LEU . 48.9 mt -60.92 -34.34 74.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.26 -0.9 . . . . 0.31 108.878 179.787 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.9 -53.28 60.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.458 -0.776 . . . . 1.21 109.479 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.0 -31.04 72.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 1.69 109.87 -179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.769 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.71 -56.69 17.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.193 -0.942 . . . . 0.27 109.928 -179.741 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.8 -41.7 96.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.892 . . . . 0.3 109.59 -179.62 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.84 -35.19 74.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.192 -0.943 . . . . 1.93 109.426 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.463 HD21 ' NE2' ' A' ' 354' ' ' GLN . 19.2 tp -65.97 -42.89 89.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.304 -0.873 . . . . 0.4 109.378 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.1 -44.3 97.56 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.791 -0.818 . . . . 1.59 108.791 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -57.51 -32.71 67.3 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.53 -0.731 . . . . 1.43 109.406 179.569 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.38 75.52 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.369 -0.832 . . . . 0.65 109.674 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -11.5 58.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.223 -0.923 . . . . 1.19 109.335 179.877 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.03 -4.5 32.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.344 -0.848 . . . . 1.22 109.518 179.703 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.25 18.29 28.96 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.101 -1.2 . . . . 1.53 110.101 -179.528 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -84.74 154.08 22.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.023 -1.28 . . . . 4.21 109.332 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.28 161.09 0.48 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.192 -0.943 . . . . 5.68 109.588 -179.817 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.55 -159.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.265 1.976 . . . . 5.57 110.252 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.979 -1.456 . . . . 7.2 109.476 179.947 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.2 tttt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.475 -0.565 . . . . 8.96 109.475 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.26 172.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.27 -0.894 . . . . 8.15 109.441 179.895 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.7 OUTLIER 59.53 64.03 3.15 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 7.15 109.769 179.804 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.4 Cg_endo -61.86 122.67 11.31 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.063 1.842 . . . . 4.35 109.867 179.756 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.71 94.22 6.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.127 -0.983 . . . . 4.63 109.848 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.468 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 3.6 m-20 -82.78 -174.0 4.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.353 -0.842 . . . . 2.85 109.143 179.372 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.28 177.73 28.4 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.155 -1.578 . . . . 1.12 109.155 179.446 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.03 135.22 56.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.101 -1.234 . . . . 2.11 109.047 179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.468 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 44.4 m-85 -92.04 154.93 18.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.133 -0.98 . . . . 0.64 109.666 -179.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.495 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 86.4 m-85 -139.64 -168.98 2.6 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.306 -0.871 . . . . 0.49 109.401 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 40.6 p -152.84 160.05 43.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.47 109.472 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 329' ' ' THR . 13.2 tp -148.73 133.21 17.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.25 -0.906 . . . . 0.42 109.592 -179.866 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 16.0 tt0 -85.63 129.81 34.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 1.81 109.265 179.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.3 mt -123.36 110.92 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.42 109.623 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 145.17 46.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.372 -0.83 . . . . 2.35 109.305 179.813 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.43 134.33 8.44 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.632 -1.387 . . . . 0.41 109.632 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.8 OUTLIER -78.19 -61.5 1.98 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.22 -1.165 . . . . 2.59 109.516 179.899 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -58.5 -40.13 81.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.362 -0.836 . . . . 2.54 109.439 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -61.2 -44.88 96.58 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.314 -0.866 . . . . 3.39 109.614 -179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 48.8 t80 -54.86 -53.26 57.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.398 -0.814 . . . . 0.47 109.582 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -50.94 -34.29 28.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.358 -0.839 . . . . 1.66 109.746 -179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.411 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 10.5 ttp -62.89 -49.09 76.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.215 -0.928 . . . . 0.61 109.876 -179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.7 m-85 -61.0 -53.43 57.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.89 . . . . 0.33 109.274 -179.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.06 -34.62 30.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.351 -0.843 . . . . 3.28 109.474 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 340' ' ' MET . 0.9 OUTLIER -59.98 -50.23 74.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.78 109.616 -179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' D' ' 344' ' ' LEU . 49.8 mt -60.99 -34.18 74.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.16 -0.963 . . . . 0.38 108.937 179.708 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.99 -53.28 60.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 1.2 109.521 179.564 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.94 -31.1 72.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.372 -0.83 . . . . 2.12 109.812 -179.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.58 -56.88 15.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.216 -0.928 . . . . 0.26 109.935 -179.712 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.69 -41.68 95.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.331 -0.856 . . . . 0.4 109.696 -179.63 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.82 -35.21 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -0.938 . . . . 2.09 109.514 179.828 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' D' ' 351' ' ' LYS . 19.2 tp -65.93 -42.88 89.53 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.324 -0.86 . . . . 0.75 109.41 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -61.14 -44.29 97.55 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.412 -0.805 . . . . 2.19 108.835 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.36 -32.88 67.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.612 -0.68 . . . . 1.34 109.48 179.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.55 -33.47 75.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.381 -0.824 . . . . 0.72 109.647 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -82.81 -11.47 58.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.175 -0.953 . . . . 1.8 109.252 179.924 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.06 -4.52 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.251 -0.906 . . . . 1.39 109.531 179.699 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.26 18.31 28.88 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.072 -1.211 . . . . 1.66 110.072 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -84.71 154.09 22.67 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.08 -1.247 . . . . 4.45 109.348 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.33 161.15 0.48 Allowed Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.168 -0.957 . . . . 6.19 109.547 -179.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.57 -159.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.266 1.977 . . . . 5.58 110.235 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 CA-C-O 117.943 -1.476 . . . . 6.9 109.599 179.993 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.3 tttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.489 -0.56 . . . . 7.36 109.489 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 58.29 172.26 0.06 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.213 -0.929 . . . . 7.15 109.554 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.7 OUTLIER 59.64 63.96 3.12 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.418 -0.801 . . . . 6.5 109.699 179.739 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.4 Cg_endo -61.76 122.59 11.22 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.087 1.858 . . . . 4.5 109.966 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 28.0 mt -81.68 94.29 6.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 4.32 109.862 -179.776 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.46 ' HB2' ' CZ ' ' D' ' 327' ' ' TYR . 3.7 m-20 -82.89 -173.93 4.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.423 -0.798 . . . . 2.46 109.049 179.478 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.25 177.73 28.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.14 -1.584 . . . . 0.97 109.14 179.402 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.93 135.24 56.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.239 . . . . 1.67 109.098 179.77 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' D' ' 324' ' ' ASP . 45.0 m-85 -92.19 154.97 18.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.61 109.659 -179.671 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 86.8 m-85 -139.58 -168.98 2.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.391 -0.818 . . . . 0.56 109.322 -179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.423 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 40.5 p -152.88 160.17 43.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.136 -0.978 . . . . 0.43 109.507 -179.87 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.96 133.12 17.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.395 -0.816 . . . . 0.35 109.54 -179.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -85.54 129.92 34.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.416 -0.802 . . . . 1.37 109.192 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.0 mt -123.43 110.79 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.191 -0.943 . . . . 0.48 109.561 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 144.99 46.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.354 -0.841 . . . . 2.08 109.392 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.49 134.37 8.45 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.574 -1.41 . . . . 0.4 109.574 179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -78.24 -61.62 1.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.311 -1.111 . . . . 2.64 109.474 179.92 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -58.29 -40.44 81.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.367 -0.833 . . . . 2.22 109.468 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -61.0 -44.81 96.87 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.288 -0.882 . . . . 2.74 109.638 -179.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' D' ' 332' ' ' ILE . 48.6 t80 -54.92 -53.26 57.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.296 -0.878 . . . . 0.43 109.578 -179.826 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -50.87 -34.4 27.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.834 . . . . 1.69 109.742 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' D' ' 343' ' ' GLU . 10.7 ttp -62.86 -48.91 77.0 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.251 -0.906 . . . . 0.43 109.941 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.8 m-85 -61.13 -53.46 56.72 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.277 -0.889 . . . . 0.27 109.212 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.02 -34.53 29.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 2.45 109.532 179.841 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' D' ' 340' ' ' MET . 0.9 OUTLIER -60.14 -50.32 74.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 1.75 109.517 -179.908 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.977 HD22 HD22 ' C' ' 344' ' ' LEU . 49.6 mt -60.75 -34.37 74.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.31 108.894 179.737 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.07 -53.18 61.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.375 -0.828 . . . . 1.22 109.469 179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.89 -31.26 72.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.374 -0.829 . . . . 1.73 109.76 -179.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.55 -56.79 16.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.109 -0.995 . . . . 0.28 109.955 -179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.67 -41.76 95.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.422 -0.799 . . . . 0.31 109.676 -179.68 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -59.75 -35.27 74.24 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.216 -0.927 . . . . 1.91 109.467 179.873 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.441 HD21 ' NE2' ' C' ' 354' ' ' GLN . 19.1 tp -65.95 -42.89 89.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.329 -0.857 . . . . 0.43 109.372 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.441 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 31.4 ttmt -61.15 -44.28 97.56 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.756 -0.831 . . . . 1.57 108.756 179.816 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -57.44 -32.78 67.26 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.621 -0.674 . . . . 1.44 109.456 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.6 76.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.341 -0.849 . . . . 0.64 109.606 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -11.53 58.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.24 -0.912 . . . . 1.21 109.338 179.907 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -4.59 33.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.328 -0.857 . . . . 1.22 109.552 179.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 18.09 29.15 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 110.139 -1.185 . . . . 1.5 110.139 -179.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -84.65 154.03 22.79 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.083 -1.246 . . . . 4.18 109.348 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.28 161.11 0.48 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 5.67 109.595 -179.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.53 -159.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.246 1.964 . . . . 5.65 110.255 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 CA-C-O 117.924 -1.487 . . . . 7.27 109.627 179.984 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.488 -0.56 . . . . 7.33 109.488 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 18.5 tttt 62.84 83.75 0.15 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.874 . . . . 7.21 109.546 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 61.84 153.3 0.11 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.301 -0.875 . . . . 6.47 109.615 179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.73 -162.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.171 1.914 . . . . 4.53 110.081 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.8 118.72 22.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 4.35 109.468 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -79.92 -154.74 0.09 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.269 -0.895 . . . . 2.48 109.394 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.49 169.8 36.43 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.393 -1.483 . . . . 0.98 109.393 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.12 138.11 56.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.1 -1.235 . . . . 1.7 109.497 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -93.26 155.81 17.2 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.61 109.336 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.8 m-85 -138.58 -169.68 2.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.58 109.631 -179.839 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.544 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.3 p -154.16 156.98 38.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.905 . . . . 0.42 109.377 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -146.94 129.37 15.86 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.36 109.437 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 15.2 tt0 -86.41 135.36 33.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.371 -0.83 . . . . 1.37 110.082 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 46.7 mt -123.56 119.64 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.393 -0.817 . . . . 0.47 109.263 179.526 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 146.49 45.79 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.211 -0.931 . . . . 2.1 109.731 -179.687 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.9 142.95 9.82 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.903 -1.279 . . . . 0.42 109.903 179.725 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.1 ttm180 -79.65 -51.18 9.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -1.054 . . . . 2.68 109.285 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.29 -41.03 83.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 2.22 109.334 179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -45.19 85.91 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.259 -0.901 . . . . 2.77 109.678 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.56 ' HD1' HD12 ' A' ' 332' ' ' ILE . 47.0 t80 -55.87 -55.01 37.59 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.405 -0.809 . . . . 0.43 109.63 -179.905 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.45 -38.13 41.84 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.252 -0.905 . . . . 1.66 110.103 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -63.88 -51.22 65.55 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.101 -0.999 . . . . 0.44 110.519 -179.276 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.1 m-85 -60.93 -55.32 34.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.06 -1.025 . . . . 0.29 109.467 -179.602 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.46 -34.48 16.92 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.413 -0.805 . . . . 2.44 109.61 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.55 -49.9 75.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.103 -0.998 . . . . 1.74 109.375 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 344' ' ' LEU . 96.7 mt -61.87 -34.53 76.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.299 -0.875 . . . . 0.3 108.929 179.736 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.402 ' HB2' HD21 ' C' ' 330' ' ' LEU . 14.6 t-20 -58.93 -52.84 64.04 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.321 -0.862 . . . . 1.22 109.423 179.714 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -31.38 72.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.301 -0.875 . . . . 1.72 109.813 -179.864 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.98 -58.77 7.05 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.27 109.964 -179.721 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.42 -40.06 89.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.29 109.501 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.16 -34.62 72.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.344 -0.847 . . . . 1.91 109.051 179.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.737 HD21 ' NE2' ' B' ' 354' ' ' GLN . 10.5 tp -65.38 -39.87 92.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.406 -0.809 . . . . 0.41 108.963 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -46.41 89.21 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.926 -0.768 . . . . 1.56 108.926 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.06 -31.01 62.8 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.54 -0.725 . . . . 1.43 109.445 179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.37 91.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.66 109.635 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.749 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -83.18 -12.26 57.07 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.18 109.583 179.943 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.07 -11.45 60.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.216 -0.927 . . . . 1.23 109.474 179.788 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.43 -81.05 1.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.482 -1.447 . . . . 1.54 109.482 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -86.95 124.33 33.03 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.231 -1.158 . . . . 4.18 109.361 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.78 156.07 1.75 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.205 -0.935 . . . . 5.71 109.514 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.71 126.15 19.05 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.112 1.875 . . . . 5.61 110.268 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.469 -1.452 . . . . 7.24 109.469 179.964 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.511 -0.552 . . . . 7.34 109.511 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 18.5 tttt 62.82 83.72 0.15 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.293 -0.88 . . . . 7.17 109.579 -179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 23.3 mttt 61.98 153.27 0.11 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.225 -0.922 . . . . 6.44 109.541 179.892 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.67 -162.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.181 1.921 . . . . 4.54 110.112 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 73.9 mt -80.77 118.75 22.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.147 -0.971 . . . . 4.32 109.383 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.95 -154.96 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.239 -0.913 . . . . 2.47 109.394 179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.11 169.86 34.91 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.447 -1.461 . . . . 0.95 109.447 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.25 138.11 56.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.188 -1.183 . . . . 1.61 109.457 -179.858 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -93.23 155.77 17.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.341 -0.849 . . . . 0.57 109.312 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 91.4 m-85 -138.5 -169.65 2.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 0.53 109.67 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.542 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.9 p -154.09 156.97 38.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.204 -0.935 . . . . 0.38 109.49 -179.87 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' D' ' 345' ' ' ASN . 11.4 tp -146.96 129.47 15.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.36 109.338 -179.869 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 15.0 tt0 -86.51 135.42 33.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.242 -0.911 . . . . 1.36 109.963 -179.568 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' B' ' 341' ' ' PHE . 47.0 mt -123.72 119.57 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.344 -0.847 . . . . 0.49 109.099 179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.98 146.39 46.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.126 -0.984 . . . . 2.1 109.732 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.79 143.0 9.77 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.884 -1.286 . . . . 0.44 109.884 179.703 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.1 ttm180 -79.69 -51.09 9.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.374 -1.074 . . . . 2.72 109.286 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.32 -41.06 83.7 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.411 -0.806 . . . . 2.21 109.311 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.454 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.65 -45.1 85.95 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.233 -0.917 . . . . 2.79 109.78 179.936 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.548 ' HD1' HD12 ' B' ' 332' ' ' ILE . 47.2 t80 -55.8 -55.01 37.55 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.283 -0.886 . . . . 0.45 109.74 -179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -50.42 -38.22 41.99 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.191 -0.943 . . . . 1.68 110.055 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.84 -51.29 65.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.159 -0.963 . . . . 0.43 110.521 -179.321 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.58 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.9 m-85 -60.89 -55.43 33.1 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.148 -0.97 . . . . 0.28 109.408 -179.579 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.45 -34.46 16.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.283 -0.886 . . . . 2.52 109.535 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.44 -49.92 75.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -0.986 . . . . 1.75 109.484 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 344' ' ' LEU . 96.8 mt -61.97 -34.41 76.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.31 108.874 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' D' ' 330' ' ' LEU . 14.6 t-20 -59.05 -52.74 64.43 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.387 -0.821 . . . . 1.21 109.511 179.674 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -31.45 72.63 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.316 -0.865 . . . . 1.69 109.758 -179.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.759 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.94 -58.75 7.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.28 -0.887 . . . . 0.27 109.99 -179.715 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.44 -40.17 90.18 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.3 109.396 -179.729 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.05 -34.67 72.2 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.382 -0.824 . . . . 1.93 109.096 179.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.749 HD21 ' NE2' ' A' ' 354' ' ' GLN . 10.5 tp -65.32 -39.88 93.01 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.348 -0.845 . . . . 0.4 109.01 179.686 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -46.49 88.97 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.969 -0.752 . . . . 1.59 108.969 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.08 -30.86 62.62 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.513 -0.742 . . . . 1.43 109.512 179.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.26 90.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.65 109.597 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.737 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -83.06 -12.48 57.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 1.19 109.583 179.892 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.04 -11.46 60.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 1.22 109.472 179.925 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.3 -81.08 1.1 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.485 -1.446 . . . . 1.53 109.485 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.88 124.29 32.94 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.299 -1.118 . . . . 4.21 109.409 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.81 156.14 1.74 Allowed Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 5.68 109.553 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.82 125.96 18.51 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.236 1.957 . . . . 5.57 110.262 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 117.968 -1.462 . . . . 7.2 109.533 -179.984 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.508 -0.553 . . . . 8.96 109.508 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 18.4 tttt 62.91 83.56 0.16 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 8.15 109.575 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 62.0 153.2 0.11 Allowed Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.313 -0.867 . . . . 7.15 109.629 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.68 -162.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.149 1.899 . . . . 4.35 110.035 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 74.0 mt -80.79 118.76 22.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.151 -0.968 . . . . 4.63 109.45 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.99 -154.78 0.1 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.201 -0.937 . . . . 2.85 109.33 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.32 169.83 35.75 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.381 -1.488 . . . . 1.12 109.381 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.24 138.0 56.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -1.162 . . . . 2.11 109.499 -179.875 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.12 155.76 17.28 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.234 -0.916 . . . . 0.64 109.413 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -138.49 -169.61 2.64 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.49 109.636 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.559 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.5 p -154.22 156.96 38.05 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.249 -0.907 . . . . 0.47 109.441 -179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.2 tp -146.98 129.4 15.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.42 109.305 -179.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 15.0 tt0 -86.49 135.39 33.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 1.81 110.014 -179.537 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' C' ' 341' ' ' PHE . 46.7 mt -123.63 119.57 57.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.431 -0.793 . . . . 0.42 109.197 179.584 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.47 45.96 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 2.35 109.7 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.77 142.92 9.7 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.809 -1.316 . . . . 0.41 109.809 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.2 ttm180 -79.58 -51.12 9.7 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -1.068 . . . . 2.59 109.377 179.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.28 -41.01 83.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.352 -0.843 . . . . 2.54 109.36 179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.459 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.68 -45.15 86.01 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.326 -0.859 . . . . 3.39 109.72 179.906 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' C' ' 332' ' ' ILE . 47.4 t80 -55.87 -55.09 36.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.889 . . . . 0.47 109.618 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.34 -38.21 40.83 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.166 -0.959 . . . . 1.66 110.105 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.85 -51.23 65.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.109 -0.994 . . . . 0.61 110.57 -179.365 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.5 m-85 -60.77 -55.5 32.44 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.141 -0.974 . . . . 0.33 109.468 -179.656 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.41 -34.46 16.46 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.452 -0.78 . . . . 3.28 109.552 179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.66 -49.77 76.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.129 -0.982 . . . . 1.78 109.446 -179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' D' ' 344' ' ' LEU . 96.7 mt -61.96 -34.41 76.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 0.38 108.949 179.68 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -59.01 -52.82 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.332 -0.855 . . . . 1.2 109.424 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -31.38 72.54 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.406 -0.809 . . . . 2.12 109.791 -179.917 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.08 -58.61 7.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.197 -0.94 . . . . 0.26 109.925 -179.637 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.51 -40.22 90.65 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -0.904 . . . . 0.4 109.368 -179.743 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.09 -34.68 72.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.261 -0.9 . . . . 2.09 109.06 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.751 HD21 ' NE2' ' D' ' 354' ' ' GLN . 10.5 tp -65.21 -39.96 93.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.75 109.055 179.655 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 0.8 OUTLIER -62.01 -46.56 88.68 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 179.724 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.95 -31.02 62.57 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.421 -0.8 . . . . 1.34 109.552 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.36 91.17 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.379 -0.826 . . . . 0.72 109.601 -179.802 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.73 HE21 HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -83.14 -12.39 57.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -0.922 . . . . 1.8 109.432 -179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.1 -11.4 60.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.893 . . . . 1.39 109.459 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.42 -81.08 1.11 Allowed Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.459 -1.456 . . . . 1.66 109.459 179.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.97 124.31 33.03 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -1.106 . . . . 4.45 109.41 179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.74 156.09 1.73 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.248 -0.908 . . . . 6.19 109.509 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.75 126.15 19.02 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.143 1.896 . . . . 5.58 110.185 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.528 -1.429 . . . . 6.9 109.528 179.918 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.458 -0.571 . . . . 7.36 109.458 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 18.4 tttt 62.93 83.66 0.16 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.241 -0.912 . . . . 7.15 109.539 179.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 23.4 mttt 61.97 153.25 0.11 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.267 -0.896 . . . . 6.5 109.54 179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.67 -162.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.19 1.926 . . . . 4.5 110.11 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 74.1 mt -80.76 118.68 22.51 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.262 -0.899 . . . . 4.32 109.428 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.85 -154.81 0.09 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.232 -0.918 . . . . 2.46 109.427 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.39 169.8 36.07 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.348 -1.501 . . . . 0.97 109.348 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.1 138.05 56.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.15 -1.206 . . . . 1.67 109.485 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -93.23 155.72 17.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.326 -0.859 . . . . 0.61 109.407 179.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.7 m-85 -138.42 -169.69 2.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.212 -0.93 . . . . 0.56 109.649 -179.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 18.6 p -154.09 157.05 38.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.949 . . . . 0.43 109.475 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -147.03 129.41 15.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -0.884 . . . . 0.35 109.22 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 15.0 tt0 -86.45 135.42 33.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 1.37 109.953 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.3 mt -123.68 119.64 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.365 -0.834 . . . . 0.48 109.146 179.525 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 146.41 46.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 2.08 109.745 -179.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.92 142.96 9.84 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.826 -1.31 . . . . 0.4 109.826 179.676 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.46 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.1 ttm180 -79.61 -51.19 9.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -1.11 . . . . 2.64 109.306 179.811 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -58.25 -41.08 83.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.87 . . . . 2.22 109.338 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.66 -45.17 85.9 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.168 -0.957 . . . . 2.74 109.689 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.556 ' HD1' HD12 ' D' ' 332' ' ' ILE . 47.1 t80 -55.82 -55.1 36.46 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.329 -0.857 . . . . 0.43 109.68 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.36 -38.14 40.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 1.69 110.075 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.88 -51.27 65.34 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.151 -0.968 . . . . 0.43 110.542 -179.319 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.582 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.3 m-85 -60.82 -55.47 32.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.126 -0.984 . . . . 0.27 109.45 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -49.4 -34.49 16.43 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.445 -0.785 . . . . 2.45 109.56 179.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.46 -49.93 75.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 1.75 109.458 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.472 HD22 HD22 ' C' ' 344' ' ' LEU . 96.7 mt -61.94 -34.37 75.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.257 -0.902 . . . . 0.31 108.939 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.408 ' HB2' HD21 ' B' ' 330' ' ' LEU . 14.7 t-20 -59.02 -52.87 63.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.408 -0.807 . . . . 1.22 109.431 179.69 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.427 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 1.0 OUTLIER -63.73 -31.43 72.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.335 -0.853 . . . . 1.73 109.737 -179.9 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.06 -58.62 7.63 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.177 -0.952 . . . . 0.28 109.93 -179.615 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 23.5 mt -60.48 -40.19 90.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 0.31 109.447 -179.801 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.07 -34.66 72.21 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.267 -0.895 . . . . 1.91 109.076 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.73 HD11 HE21 ' C' ' 354' ' ' GLN . 10.4 tp -65.27 -39.95 93.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.377 -0.827 . . . . 0.43 109.035 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.05 -46.46 89.06 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.922 -0.77 . . . . 1.57 108.922 179.721 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.04 -30.89 62.59 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.585 -0.697 . . . . 1.44 109.589 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.39 90.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.348 -0.845 . . . . 0.64 109.583 -179.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.751 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -83.14 -12.28 57.14 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.225 -0.922 . . . . 1.21 109.536 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.18 -11.37 60.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.212 -0.93 . . . . 1.22 109.46 179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.39 -81.09 1.11 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.508 -1.437 . . . . 1.5 109.508 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -86.9 124.25 32.91 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.298 -1.119 . . . . 4.18 109.411 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.77 156.13 1.73 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.224 -0.922 . . . . 5.67 109.536 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.83 126.17 19.02 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.137 1.891 . . . . 5.65 110.189 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 117.974 -1.459 . . . . 7.27 109.567 179.92 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 46.8 mttt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.592 -0.521 . . . . 7.33 109.592 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.656 ' C ' ' HD2' ' A' ' 322' ' ' PRO . 24.1 tttm 81.73 -52.77 0.26 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.726 -0.472 . . . . 7.21 109.726 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.621 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 0.7 OUTLIER 99.79 -57.34 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.217 0 CA-C-O 118.695 -0.669 . . . . 6.47 111.798 -179.625 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.656 ' HD2' ' C ' ' A' ' 320' ' ' LYS . 3.4 Cg_exo -63.56 155.17 64.43 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 120.829 1.02 . . . . 4.53 110.177 -179.712 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.02 124.05 28.85 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.277 -0.889 . . . . 4.35 109.523 179.778 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.49 -103.83 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.186 -0.947 . . . . 2.48 109.446 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.35 147.55 44.24 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.656 -1.378 . . . . 0.98 109.656 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.39 138.18 58.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.406 -1.055 . . . . 1.7 109.483 179.736 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.53 156.57 16.39 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.894 . . . . 0.61 109.461 179.807 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 75.0 m-85 -140.17 -172.01 3.32 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.246 -0.909 . . . . 0.58 109.628 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 7.5 p -153.53 163.0 40.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.292 -0.88 . . . . 0.42 109.494 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.47 133.75 17.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.277 -0.889 . . . . 0.36 109.403 -179.704 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.49 131.02 34.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.346 -0.846 . . . . 1.37 109.482 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 38.5 mt -123.82 116.73 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.237 -0.915 . . . . 0.47 109.526 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.9 153.88 39.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 2.1 109.615 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.83 138.72 3.19 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.77 -1.332 . . . . 0.42 109.77 179.674 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.438 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 4.5 ttt180 -81.74 -51.02 8.59 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 2.68 109.36 179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.14 -46.52 85.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.289 -0.882 . . . . 2.22 109.504 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.33 -41.24 93.13 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.245 -0.909 . . . . 2.77 109.479 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 58.3 t80 -55.42 -54.89 38.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -0.827 . . . . 0.43 109.809 -179.888 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 14.9 mt-10 -50.24 -34.65 23.8 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 1.66 109.902 -179.71 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.1 -50.08 71.93 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.106 -0.996 . . . . 0.44 110.077 -179.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.487 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.0 m-85 -61.1 -53.99 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.261 -0.899 . . . . 0.29 109.266 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.41 -34.43 24.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.424 -0.798 . . . . 2.44 109.575 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.58 -50.41 73.66 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.142 -0.974 . . . . 1.74 109.868 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' B' ' 344' ' ' LEU . 90.4 mt -61.48 -34.66 75.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.274 -0.891 . . . . 0.3 108.941 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -58.84 -53.54 57.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.506 -0.746 . . . . 1.22 109.595 179.75 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.85 76.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.339 -0.851 . . . . 1.72 110.027 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.93 -53.61 55.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.27 110.139 -179.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.97 -40.09 92.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.219 -0.926 . . . . 0.29 109.557 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.41 -36.4 78.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.176 -0.952 . . . . 1.91 109.58 179.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.66 -48.03 76.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.275 -0.891 . . . . 0.41 109.738 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.47 -36.86 81.6 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.364 -0.835 . . . . 1.56 109.194 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.5 -39.59 76.82 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.57 -0.706 . . . . 1.43 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.19 -45.89 75.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.26 -0.9 . . . . 0.66 109.456 -179.834 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.634 ' NE2' HD21 ' B' ' 350' ' ' LEU . 13.9 mt-30 -81.32 -1.45 45.33 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.302 -0.874 . . . . 1.18 109.738 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.87 -85.11 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.193 -0.942 . . . . 1.23 109.419 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.15 96.98 1.13 Allowed Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.49 -1.444 . . . . 1.54 109.49 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.06 56.7 3.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.286 -1.126 . . . . 4.18 109.482 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.56 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -49.99 -56.19 19.22 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 5.71 109.758 -179.908 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 3.0 Cg_endo -60.88 121.4 9.64 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 121.888 1.725 . . . . 5.61 110.084 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.952 -1.471 . . . . 7.24 109.632 -179.966 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.541 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 46.6 mttt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.167 0.508 . . . . 7.34 109.635 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.657 ' C ' ' HD2' ' B' ' 322' ' ' PRO . 24.2 tttm 81.7 -52.73 0.26 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.864 -0.523 . . . . 7.17 109.711 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.62 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 0.7 OUTLIER 99.81 -57.32 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.156 0 CA-C-O 118.597 -0.716 . . . . 6.44 111.76 -179.713 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.657 ' HD2' ' C ' ' B' ' 320' ' ' LYS . 3.5 Cg_exo -63.56 155.31 63.6 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 C-N-CA 120.754 0.969 . . . . 4.54 110.214 -179.732 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.17 124.05 28.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 4.32 109.385 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.37 -103.49 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.11 -0.994 . . . . 2.47 109.566 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -71.05 147.6 43.18 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.614 -1.395 . . . . 0.95 109.614 179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.41 138.22 58.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.298 -1.119 . . . . 1.61 109.48 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -94.55 156.66 16.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.57 109.38 179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 75.4 m-85 -140.22 -172.17 3.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.53 109.647 -179.828 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.428 HG23 ' O ' ' B' ' 328' ' ' PHE . 7.8 p -153.45 162.89 40.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.211 -0.931 . . . . 0.38 109.503 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.38 133.76 17.47 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -0.908 . . . . 0.36 109.459 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.53 131.09 34.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.282 -0.886 . . . . 1.36 109.425 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.0 mt -123.86 116.65 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.49 109.506 179.904 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.87 153.88 39.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.238 -0.914 . . . . 2.1 109.674 179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.92 138.65 3.22 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.76 -1.336 . . . . 0.44 109.76 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 4.5 ttt180 -81.71 -50.95 8.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.328 -1.101 . . . . 2.72 109.409 179.806 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.51 85.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -0.806 . . . . 2.21 109.508 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -41.29 93.21 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.322 -0.861 . . . . 2.79 109.445 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' B' ' 332' ' ' ILE . 57.9 t80 -55.41 -54.88 38.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.441 -0.787 . . . . 0.45 109.814 -179.845 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 14.8 mt-10 -50.2 -34.63 23.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.441 -0.787 . . . . 1.68 109.867 -179.733 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.16 -50.01 72.07 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.184 -0.948 . . . . 0.43 110.032 -179.423 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.2 m-85 -61.13 -53.98 50.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.161 -0.962 . . . . 0.28 109.292 -179.854 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.53 -34.37 25.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.371 -0.831 . . . . 2.52 109.567 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.56 -50.45 73.5 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.197 -0.939 . . . . 1.75 109.806 -179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.891 HD22 HD22 ' A' ' 344' ' ' LEU . 91.2 mt -61.41 -34.64 75.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.2 -0.937 . . . . 0.31 109.047 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.504 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.3 t-20 -58.86 -53.52 57.5 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.432 -0.792 . . . . 1.21 109.645 179.709 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.88 76.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.287 -0.883 . . . . 1.69 110.103 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.779 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.97 -53.57 56.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.27 110.142 -179.477 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.04 -39.92 91.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.219 -0.925 . . . . 0.3 109.632 -179.517 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.56 -36.33 78.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.15 -0.969 . . . . 1.93 109.542 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.634 HD21 ' NE2' ' A' ' 354' ' ' GLN . 13.7 tp -64.63 -48.02 76.38 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.418 -0.801 . . . . 0.4 109.785 -179.807 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.49 -36.98 81.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.433 -0.792 . . . . 1.59 109.133 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -57.37 -39.67 76.49 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.524 -0.735 . . . . 1.43 109.634 179.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -45.83 76.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 0.65 109.523 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -81.48 -1.32 45.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.368 -0.833 . . . . 1.19 109.646 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.86 -85.13 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.955 . . . . 1.22 109.443 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.26 97.12 1.15 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.434 -1.466 . . . . 1.53 109.434 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.12 56.6 3.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.346 -1.091 . . . . 4.21 109.537 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -49.84 -56.21 18.75 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.253 -0.904 . . . . 5.68 109.879 -179.926 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' B' ' 358' ' ' GLU . 3.0 Cg_endo -60.85 121.41 9.65 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.86 1.707 . . . . 5.57 110.121 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.469 -1.452 . . . . 7.2 109.469 -179.953 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 46.6 mttt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.63 -0.508 . . . . 8.96 109.63 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.659 ' C ' ' HD2' ' C' ' 322' ' ' PRO . 24.3 tttm 81.62 -52.61 0.26 Allowed 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.657 -0.497 . . . . 8.15 109.657 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.603 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 0.7 OUTLIER 99.77 -57.33 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.194 0 CA-C-O 118.651 -0.69 . . . . 7.15 111.773 -179.653 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.659 ' HD2' ' C ' ' C' ' 320' ' ' LYS . 3.4 Cg_exo -63.61 155.26 64.05 Favored 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 120.765 0.976 . . . . 4.35 110.236 -179.696 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.04 123.93 28.77 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.367 -0.833 . . . . 4.63 109.505 179.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -80.32 -103.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.196 -0.94 . . . . 2.85 109.527 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.54 147.56 43.94 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.68 -1.368 . . . . 1.12 109.68 179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.39 138.15 58.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.537 -0.978 . . . . 2.11 109.457 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -94.54 156.59 16.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.64 109.37 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 75.3 m-85 -140.13 -171.96 3.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.094 -1.004 . . . . 0.49 109.568 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.415 HG23 ' O ' ' C' ' 328' ' ' PHE . 7.6 p -153.6 162.92 40.81 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.47 109.541 -179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 329' ' ' THR . 14.4 tp -149.42 133.75 17.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.42 109.558 -179.787 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.42 131.02 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.282 -0.886 . . . . 1.81 109.54 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' C' ' 338' ' ' PHE . 39.1 mt -123.79 116.69 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.198 -0.939 . . . . 0.42 109.515 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.96 154.04 39.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.274 -0.891 . . . . 2.35 109.551 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.76 138.74 3.17 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.814 -1.314 . . . . 0.41 109.814 179.675 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.477 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 4.5 ttt180 -81.86 -50.87 8.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.339 -1.095 . . . . 2.59 109.384 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.22 -46.6 85.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 2.54 109.408 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -41.2 92.8 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.344 -0.848 . . . . 3.39 109.544 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' C' ' 332' ' ' ILE . 58.1 t80 -55.36 -55.05 36.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.409 -0.807 . . . . 0.47 109.747 -179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.17 -34.6 23.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.386 -0.821 . . . . 1.66 109.948 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.15 -50.02 72.07 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.147 -0.971 . . . . 0.61 110.065 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.479 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -53.84 51.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.189 -0.944 . . . . 0.33 109.303 -179.836 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.62 -34.23 25.35 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.844 . . . . 3.28 109.653 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.73 -50.3 74.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.088 -1.007 . . . . 1.78 109.831 -179.706 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.41 -34.72 75.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.188 -0.945 . . . . 0.38 109.026 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.433 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.5 t-20 -58.84 -53.66 55.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.512 -0.742 . . . . 1.2 109.554 179.765 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.14 -33.79 76.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.398 -0.814 . . . . 2.12 110.12 -179.573 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.05 -53.66 55.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.174 -0.954 . . . . 0.26 110.098 -179.501 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.87 -40.05 91.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.096 -1.003 . . . . 0.4 109.61 -179.581 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.45 -36.39 78.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 2.09 109.565 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.471 HD21 ' NE2' ' D' ' 354' ' ' GLN . 13.7 tp -64.6 -48.16 75.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.254 -0.904 . . . . 0.75 109.742 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.35 -36.97 81.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.357 -0.839 . . . . 2.19 109.134 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -57.52 -39.51 76.72 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.513 -0.742 . . . . 1.34 109.595 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.18 -45.91 75.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.72 109.487 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD21 ' D' ' 350' ' ' LEU . 13.8 mt-30 -81.31 -1.53 45.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.8 109.668 -179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.72 -85.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.172 -0.955 . . . . 1.39 109.524 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.1 96.92 1.12 Allowed Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.564 -1.414 . . . . 1.66 109.564 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.02 56.53 3.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -1.154 . . . . 4.45 109.457 -179.83 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.553 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -49.9 -56.13 19.41 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 6.19 109.795 -179.847 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 2.9 Cg_endo -60.91 121.46 9.72 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 121.833 1.689 . . . . 5.58 110.172 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 118.005 -1.441 . . . . 6.9 109.591 -179.939 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 46.5 mttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.607 -0.516 . . . . 7.36 109.607 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.661 ' C ' ' HD2' ' D' ' 322' ' ' PRO . 24.1 tttm 81.58 -52.72 0.27 Allowed 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 109.742 -0.466 . . . . 7.15 109.742 -179.91 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 0.7 OUTLIER 99.8 -57.24 0.0 OUTLIER Pre-proline 0 N--CA 1.502 2.149 0 CA-C-O 118.636 -0.697 . . . . 6.5 111.876 -179.656 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.661 ' HD2' ' C ' ' D' ' 320' ' ' LYS . 3.5 Cg_exo -63.65 155.24 64.34 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 120.804 1.003 . . . . 4.5 110.167 -179.757 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.3 mt -81.05 123.85 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.296 -0.877 . . . . 4.32 109.425 179.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.39 -103.69 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.088 -1.008 . . . . 2.46 109.454 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.61 147.53 43.78 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.628 -1.389 . . . . 0.97 109.628 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.36 138.12 58.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.471 -1.017 . . . . 1.67 109.567 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -94.57 156.54 16.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.165 -0.96 . . . . 0.61 109.46 179.873 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 75.2 m-85 -140.13 -172.11 3.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.183 -0.948 . . . . 0.56 109.644 -179.777 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.431 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 7.6 p -153.39 163.12 40.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.306 -0.871 . . . . 0.43 109.505 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.504 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.2 tp -149.52 133.85 17.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.307 -0.871 . . . . 0.35 109.491 -179.847 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -86.57 131.04 34.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.309 -0.87 . . . . 1.37 109.528 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.87 116.64 48.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.14 -0.975 . . . . 0.48 109.502 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -73.87 153.9 39.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.234 -0.916 . . . . 2.08 109.625 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.89 138.69 3.21 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.802 -1.319 . . . . 0.4 109.802 179.678 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 4.5 ttt180 -81.67 -51.02 8.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -1.133 . . . . 2.64 109.435 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.15 -46.56 85.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.333 -0.854 . . . . 2.22 109.456 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -41.38 92.81 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.224 -0.922 . . . . 2.74 109.446 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CD1' HD12 ' D' ' 332' ' ' ILE . 57.9 t80 -55.42 -54.88 38.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.822 . . . . 0.43 109.777 -179.811 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 14.7 mt-10 -50.22 -34.68 23.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.297 -0.877 . . . . 1.69 109.938 -179.713 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.1 ttp -62.99 -50.18 71.78 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.122 -0.987 . . . . 0.43 110.086 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.486 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.4 m-85 -61.06 -53.93 51.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 0.27 109.317 -179.843 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -50.6 -34.3 25.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.377 -0.827 . . . . 2.45 109.582 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.58 -50.38 73.74 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.226 -0.921 . . . . 1.75 109.78 -179.668 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.998 HD22 HD22 ' C' ' 344' ' ' LEU . 90.5 mt -61.47 -34.64 75.78 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.323 -0.861 . . . . 0.31 109.005 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.485 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -58.92 -53.47 58.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.409 -0.807 . . . . 1.22 109.628 179.781 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -63.26 -33.74 76.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.313 -0.867 . . . . 1.73 110.09 -179.594 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.889 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.02 -53.6 55.91 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.145 -0.972 . . . . 0.28 110.122 -179.471 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.01 -39.89 91.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.183 -0.948 . . . . 0.31 109.677 -179.548 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.51 -36.38 78.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 1.91 109.593 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.527 HD21 ' NE2' ' C' ' 354' ' ' GLN . 13.6 tp -64.49 -48.17 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 0.43 109.78 -179.859 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -61.4 -37.01 81.9 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.38 -0.825 . . . . 1.57 109.165 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.33 -39.68 76.37 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.56 -0.712 . . . . 1.44 109.656 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.92 75.67 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 0.64 109.478 -179.79 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.471 ' NE2' HD21 ' C' ' 350' ' ' LEU . 13.7 mt-30 -81.43 -1.38 45.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.338 -0.851 . . . . 1.21 109.684 -179.884 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.85 -85.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.159 -0.963 . . . . 1.22 109.5 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -76.18 97.11 1.14 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.47 -1.452 . . . . 1.5 109.47 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.19 56.7 3.94 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -1.153 . . . . 4.18 109.46 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.548 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -49.98 -56.13 19.63 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.318 -0.864 . . . . 5.67 109.804 -179.923 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 2.9 Cg_endo -60.86 121.25 9.41 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 121.922 1.748 . . . . 5.65 110.126 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 118.001 -1.444 . . . . 7.27 109.537 179.981 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.322 0.582 . . . . 7.33 109.528 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 8.8 mttt 60.26 15.69 5.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.226 -0.922 . . . . 7.21 109.577 179.927 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 320' ' ' LYS . 7.2 mtpt 58.99 161.58 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 6.47 109.534 179.911 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -61.05 -156.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.366 2.044 . . . . 4.53 110.318 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.71 167.84 20.11 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.437 -0.789 . . . . 4.35 109.577 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -79.14 -144.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.48 109.526 -179.92 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.84 161.94 48.81 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.571 -1.412 . . . . 0.98 109.571 -179.845 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.54 144.02 44.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.28 -1.129 . . . . 1.7 109.592 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.63 158.85 15.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.285 -0.884 . . . . 0.61 109.342 179.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.4 m-85 -138.96 -169.35 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.287 -0.883 . . . . 0.58 109.558 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.505 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 14.7 p -153.69 157.82 40.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.895 . . . . 0.42 109.398 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.5 tp -148.61 132.78 17.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.255 -0.903 . . . . 0.36 109.632 -179.882 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 3.2 tt0 -87.01 128.02 35.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.37 109.519 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.7 mt -123.77 118.74 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.165 -0.96 . . . . 0.47 109.691 179.887 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.481 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.6 OUTLIER -74.51 148.56 40.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.404 -0.81 . . . . 2.1 109.777 179.96 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 94.67 140.91 11.0 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.893 -1.283 . . . . 0.42 109.893 179.559 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.566 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 36.0 ttp180 -82.39 -59.24 2.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -1.095 . . . . 2.68 109.379 179.871 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -58.32 -42.48 86.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.322 -0.862 . . . . 2.22 109.347 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.573 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.22 96.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.336 -0.852 . . . . 2.77 109.058 179.958 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.487 ' CE1' ' O ' ' C' ' 329' ' ' THR . 34.8 t80 -56.18 -56.83 16.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.481 -0.762 . . . . 0.43 109.68 179.773 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -50.58 -34.44 25.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.425 -0.797 . . . . 1.66 109.737 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.2 ttp -61.91 -48.54 80.01 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.2 -0.938 . . . . 0.44 109.609 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.515 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.9 m-85 -61.34 -50.39 73.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.29 109.171 179.898 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.451 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.3 OUTLIER -51.15 -36.61 41.76 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.399 -0.813 . . . . 2.44 109.488 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.96 . . . . 1.74 109.873 -179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' B' ' 344' ' ' LEU . 78.5 mt -61.82 -45.23 94.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.3 109.488 -179.779 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.535 ' HB2' HD21 ' C' ' 330' ' ' LEU . 56.3 t30 -57.96 -44.69 87.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.294 -0.878 . . . . 1.22 109.595 -179.847 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.54 -38.81 91.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.253 -0.904 . . . . 1.72 109.622 -179.791 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.11 -49.56 77.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.868 . . . . 0.27 109.868 -179.757 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 42.8 mt -61.41 -41.78 97.69 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -0.925 . . . . 0.29 109.679 -179.664 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -60.75 -37.46 81.88 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.25 -0.906 . . . . 1.91 109.651 179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -64.22 -46.06 85.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.41 109.514 -179.653 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.384 -0.823 . . . . 1.56 109.008 179.884 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.64 -36.56 72.01 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.577 -0.702 . . . . 1.43 109.627 179.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.26 75.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.902 . . . . 0.66 109.735 -179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.466 ' NE2' HD11 ' B' ' 350' ' ' LEU . 15.6 mt-30 -82.92 -10.08 58.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.176 -0.952 . . . . 1.18 109.598 -179.918 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.25 68.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.921 . . . . 1.23 109.469 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.19 5.28 83.63 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.741 -1.344 . . . . 1.54 109.741 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 359' ' ' PRO . 20.2 mttt -85.48 150.36 24.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.18 -1.188 . . . . 4.18 109.555 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -48.0 107.1 0.68 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.294 -0.879 . . . . 5.71 109.548 -179.902 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.9 Cg_endo -60.85 133.64 48.99 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.999 1.8 . . . . 5.61 110.159 179.943 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.938 -1.479 . . . . 7.24 109.601 179.974 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.408 -0.59 . . . . 7.34 109.408 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 319' ' ' LYS . 8.8 mttt 60.33 15.66 5.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -0.882 . . . . 7.17 109.543 179.918 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.407 ' HG2' ' HD2' ' B' ' 322' ' ' PRO . 7.2 mtpt 58.9 161.46 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.352 -0.842 . . . . 6.44 109.551 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' B' ' 321' ' ' LYS . 3.0 Cg_exo -61.0 -156.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.214 1.942 . . . . 4.54 110.405 -179.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.84 167.86 20.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 4.32 109.555 -179.841 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.22 -144.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -0.88 . . . . 2.47 109.533 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.4 161.86 47.81 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.623 -1.391 . . . . 0.95 109.623 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.58 144.02 44.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -1.167 . . . . 1.61 109.588 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.62 158.87 15.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.57 109.33 179.802 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.3 m-85 -138.92 -169.33 2.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.53 109.5 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.539 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 14.6 p -153.64 157.75 40.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.247 -0.908 . . . . 0.38 109.482 -179.792 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.6 tp -148.59 132.92 17.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.36 109.552 -179.925 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 3.2 tt0 -87.1 128.01 35.12 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.275 -0.891 . . . . 1.36 109.507 179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.519 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.8 mt -123.73 118.84 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.127 -0.983 . . . . 0.49 109.718 179.876 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.6 OUTLIER -74.64 148.74 40.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.3 -0.875 . . . . 2.1 109.712 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.48 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 94.52 140.98 10.97 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.964 -1.255 . . . . 0.44 109.964 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 36.0 ttp180 -82.48 -59.26 2.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.391 -1.064 . . . . 2.72 109.363 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -58.34 -42.69 87.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.361 -0.837 . . . . 2.21 109.254 179.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.566 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.26 -44.23 95.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 2.79 109.11 179.941 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.541 ' CE1' ' O ' ' D' ' 329' ' ' THR . 34.5 t80 -56.27 -56.83 16.22 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.546 -0.721 . . . . 0.45 109.656 179.894 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -50.52 -34.37 25.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.822 . . . . 1.68 109.731 -179.723 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.03 -48.42 80.34 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.228 -0.92 . . . . 0.43 109.637 -179.602 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.519 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.2 m-85 -61.42 -50.39 73.03 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.236 -0.915 . . . . 0.28 109.157 179.834 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.452 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.3 OUTLIER -51.12 -36.6 41.35 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 2.52 109.46 179.829 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.89 -45.03 95.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.935 . . . . 1.75 109.783 -179.801 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.786 HD22 HD22 ' A' ' 344' ' ' LEU . 79.1 mt -61.73 -45.23 94.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.299 -0.876 . . . . 0.31 109.609 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.53 ' HB2' HD21 ' D' ' 330' ' ' LEU . 56.2 t30 -57.89 -44.71 86.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.91 . . . . 1.21 109.692 -179.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -62.55 -38.63 90.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 1.69 109.649 -179.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.929 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.4 -49.39 77.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.345 -0.847 . . . . 0.27 109.837 -179.691 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.56 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 42.9 mt -61.46 -41.78 97.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.276 -0.89 . . . . 0.3 109.615 -179.728 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.89 -37.39 82.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 1.93 109.673 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.666 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -64.25 -46.08 85.35 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.419 -0.801 . . . . 0.4 109.586 -179.768 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -61.59 -38.4 87.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.371 -0.831 . . . . 1.59 109.003 179.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.64 72.17 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.548 -0.72 . . . . 1.43 109.643 179.749 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.37 75.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.212 -0.93 . . . . 0.65 109.685 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' A' ' 350' ' ' LEU . 15.8 mt-30 -82.89 -10.08 59.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.164 -0.96 . . . . 1.19 109.516 -179.795 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.17 68.8 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.177 -0.952 . . . . 1.22 109.568 179.841 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 5.27 83.71 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.768 -1.333 . . . . 1.53 109.768 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.427 ' O ' ' HD3' ' B' ' 359' ' ' PRO . 20.1 mttt -85.62 150.39 24.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -1.17 . . . . 4.21 109.526 -179.894 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -47.91 107.04 0.67 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 5.68 109.458 -179.849 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.9 Cg_endo -60.82 133.48 48.16 Favored 'Trans proline' 0 C--N 1.312 -1.346 0 C-N-CA 121.998 1.799 . . . . 5.57 110.205 179.84 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.977 -1.457 . . . . 7.2 109.579 179.978 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.451 -0.574 . . . . 8.96 109.451 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 8.8 mttt 60.36 15.56 5.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.322 -0.861 . . . . 8.15 109.558 179.886 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' C' ' 320' ' ' LYS . 7.3 mtpt 58.97 161.46 0.09 OUTLIER Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.309 -0.869 . . . . 7.15 109.584 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.99 -156.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.324 2.016 . . . . 4.35 110.377 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.81 167.96 19.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 4.63 109.562 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -79.31 -144.25 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 2.85 109.425 -179.845 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.46 161.84 47.98 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.662 -1.375 . . . . 1.12 109.662 -179.834 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -58.55 143.97 44.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.314 -1.11 . . . . 2.11 109.668 -179.953 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -93.65 158.95 15.44 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.299 -0.876 . . . . 0.64 109.335 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.566 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 94.3 m-85 -138.99 -169.32 2.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.49 109.491 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.487 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 14.8 p -153.65 157.81 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.192 -0.943 . . . . 0.47 109.501 -179.793 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.4 tp -148.64 132.89 17.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.42 109.581 -179.923 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 3.2 tt0 -87.04 127.96 35.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.358 -0.839 . . . . 1.81 109.584 179.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.4 mt -123.67 118.84 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.131 -0.981 . . . . 0.42 109.67 179.869 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.6 OUTLIER -74.59 148.63 40.61 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.36 -0.837 . . . . 2.35 109.77 179.945 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 94.54 140.89 10.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.964 -1.255 . . . . 0.41 109.964 179.622 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 36.0 ttp180 -82.27 -59.32 2.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.38 -1.07 . . . . 2.59 109.416 179.823 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -58.32 -42.5 86.89 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.385 -0.822 . . . . 2.54 109.317 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.53 -44.14 96.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.245 -0.909 . . . . 3.39 109.029 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 329' ' ' THR . 34.5 t80 -56.35 -56.75 17.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.538 -0.726 . . . . 0.47 109.628 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -50.59 -34.32 25.39 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 1.66 109.812 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -61.96 -48.41 80.49 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.218 -0.926 . . . . 0.61 109.72 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.8 m-85 -61.46 -50.41 72.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.225 -0.922 . . . . 0.33 109.074 179.856 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.447 ' NH1' ' CG ' ' C' ' 342' ' ' ARG . 0.3 OUTLIER -51.11 -36.63 41.41 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.351 -0.843 . . . . 3.28 109.495 179.877 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.78 -45.04 95.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 1.78 109.838 -179.85 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' D' ' 344' ' ' LEU . 78.4 mt -61.76 -45.26 94.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.295 -0.878 . . . . 0.38 109.521 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.537 ' HB2' HD21 ' A' ' 330' ' ' LEU . 56.1 t30 -57.87 -44.72 86.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.345 -0.847 . . . . 1.2 109.751 -179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.55 -38.6 90.67 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.243 -0.911 . . . . 2.12 109.641 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.47 77.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.335 -0.853 . . . . 0.26 109.89 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 42.8 mt -61.35 -41.87 97.76 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.41 -0.807 . . . . 0.4 109.654 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.77 -37.35 81.56 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.309 -0.869 . . . . 2.09 109.657 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.658 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -64.32 -46.11 84.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.417 -0.802 . . . . 0.75 109.502 -179.655 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -61.52 -38.53 87.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 2.19 108.966 179.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.55 -36.54 71.77 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.651 -0.655 . . . . 1.34 109.695 179.746 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.33 75.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.346 -0.846 . . . . 0.72 109.628 -179.708 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.627 ' NE2' HD11 ' D' ' 350' ' ' LEU . 15.7 mt-30 -82.82 -10.12 59.01 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.256 -0.903 . . . . 1.8 109.639 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.4 -37.18 68.75 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.212 -0.93 . . . . 1.39 109.496 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.18 5.21 83.86 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.727 -1.349 . . . . 1.66 109.727 -179.88 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.411 ' O ' ' HD3' ' C' ' 359' ' ' PRO . 20.3 mttt -85.51 150.37 24.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.219 -1.165 . . . . 4.45 109.615 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -47.99 107.16 0.69 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.445 -0.784 . . . . 6.19 109.532 -179.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.0 Cg_endo -60.91 133.52 48.08 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.02 1.813 . . . . 5.58 110.164 179.895 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.042 -1.421 . . . . 6.9 109.599 -179.905 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.444 -0.576 . . . . 7.36 109.444 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 8.7 mttt 60.33 15.66 5.6 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.23 -0.919 . . . . 7.15 109.559 179.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' D' ' 320' ' ' LYS . 7.3 mtpt 58.91 161.49 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 6.5 109.627 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.95 -156.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.217 1.944 . . . . 4.5 110.445 -179.941 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 13.1 mt -79.65 167.97 19.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.318 -0.864 . . . . 4.32 109.569 -179.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -79.36 -144.15 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 2.46 109.44 -179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 161.89 48.29 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.595 -1.402 . . . . 0.97 109.595 -179.837 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -58.6 143.89 44.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.246 -1.15 . . . . 1.67 109.557 -179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.49 158.95 15.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.61 109.324 179.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.7 m-85 -139.01 -169.44 2.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.214 -0.929 . . . . 0.56 109.539 -179.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 14.9 p -153.63 157.73 40.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 0.43 109.507 -179.823 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.5 tp -148.52 132.85 17.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 0.35 109.647 -179.861 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 3.2 tt0 -87.06 128.1 35.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.284 -0.885 . . . . 1.37 109.475 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -123.8 118.74 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.48 109.7 179.874 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.6 OUTLIER -74.5 148.73 40.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.08 109.68 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.487 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 94.55 140.83 10.89 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.904 -1.278 . . . . 0.4 109.904 179.488 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 36.0 ttp180 -82.35 -59.21 2.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.282 -1.129 . . . . 2.64 109.414 179.857 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -58.42 -42.59 87.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.316 -0.865 . . . . 2.22 109.274 179.869 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.56 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -60.35 -44.22 95.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.389 -0.819 . . . . 2.74 109.061 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.539 ' CE1' ' O ' ' B' ' 329' ' ' THR . 34.4 t80 -56.3 -56.72 17.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.53 -0.731 . . . . 0.43 109.645 179.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -50.63 -34.38 25.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.311 -0.868 . . . . 1.69 109.73 -179.716 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttp -62.02 -48.44 80.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.15 -0.968 . . . . 0.43 109.682 -179.668 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.505 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.1 m-85 -61.37 -50.36 73.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.266 -0.896 . . . . 0.27 109.188 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.448 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.3 OUTLIER -51.19 -36.57 41.99 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.416 -0.803 . . . . 2.45 109.5 179.804 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.81 -45.03 95.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.21 -0.931 . . . . 1.75 109.825 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.734 HD22 HD22 ' C' ' 344' ' ' LEU . 79.0 mt -61.76 -45.3 94.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.3 -0.875 . . . . 0.31 109.535 -179.78 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.52 ' HB2' HD21 ' B' ' 330' ' ' LEU . 56.3 t30 -57.9 -44.75 86.95 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 1.22 109.664 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.53 -38.64 90.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.281 -0.887 . . . . 1.73 109.625 -179.842 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.863 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.35 -49.48 77.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.291 -0.881 . . . . 0.28 109.9 -179.741 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.566 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 42.7 mt -61.31 -41.88 97.73 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.291 -0.881 . . . . 0.31 109.637 -179.769 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.9 -37.34 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 1.91 109.609 -179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -64.29 -45.97 85.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.355 -0.84 . . . . 0.43 109.532 -179.683 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 24.2 ttmt -61.56 -38.53 87.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.36 -0.838 . . . . 1.57 109.031 179.841 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.67 -36.45 71.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.568 -0.708 . . . . 1.44 109.596 179.823 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.3 75.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.64 109.647 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -82.81 -10.26 58.95 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.205 -0.934 . . . . 1.21 109.583 -179.914 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.32 69.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.271 -0.893 . . . . 1.22 109.414 179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 5.19 83.82 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.79 -1.324 . . . . 1.5 109.79 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' D' ' 359' ' ' PRO . 20.3 mttt -85.47 150.33 24.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.137 -1.214 . . . . 4.18 109.576 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -47.91 107.11 0.68 Allowed Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 5.67 109.456 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.8 Cg_endo -60.83 133.56 48.57 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 C-N-CA 121.958 1.772 . . . . 5.65 110.27 179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.577 -1.409 . . . . 7.27 109.577 -179.956 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.435 -0.58 . . . . 7.33 109.435 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.32 102.23 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.26 -0.9 . . . . 7.21 109.343 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.539 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 55.9 mttt 57.78 60.41 6.37 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.234 -0.916 . . . . 6.47 109.194 -179.813 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.2 Cg_endo -61.92 84.71 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.192 1.928 . . . . 4.53 110.504 -179.662 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.14 110.82 15.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -0.918 . . . . 4.35 108.999 179.526 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.61 97.83 8.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.154 -0.966 . . . . 2.48 109.902 -179.69 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.413 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -73.42 158.43 52.64 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.302 -1.519 . . . . 0.98 109.302 179.268 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.64 123.29 15.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.066 -1.255 . . . . 1.7 108.787 179.381 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 62.7 m-85 -92.13 148.13 22.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.18 -0.95 . . . . 0.61 109.943 -179.501 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 66.2 m-85 -138.29 -168.14 2.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.41 -0.807 . . . . 0.58 109.216 179.935 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.414 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 37.3 p -153.48 157.73 40.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.42 109.29 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.75 131.35 14.89 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.299 -0.876 . . . . 0.36 109.582 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.9 tt0 -86.38 131.0 34.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 1.37 109.195 179.768 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 338' ' ' PHE . 39.4 mt -123.89 118.36 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.185 -0.947 . . . . 0.47 109.552 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.72 151.39 40.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.369 -0.832 . . . . 2.1 109.445 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.95 135.15 4.25 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.672 -1.371 . . . . 0.42 109.672 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.38 -51.23 9.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 2.68 109.522 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.14 -45.7 86.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.8 . . . . 2.22 109.42 179.944 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 1.4 ttt180 -60.29 -41.2 92.88 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.307 -0.87 . . . . 2.77 109.491 -179.811 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.458 ' CD1' HD12 ' A' ' 332' ' ' ILE . 83.3 t80 -55.02 -55.0 35.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.458 -0.776 . . . . 0.43 109.664 -179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -51.05 -37.1 43.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.278 -0.889 . . . . 1.66 109.93 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.0 -50.47 70.62 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.191 -0.943 . . . . 0.44 110.182 -179.242 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.418 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 34.2 m-85 -60.17 -55.56 32.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.29 109.232 -179.687 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.58 -36.19 33.55 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.486 -0.759 . . . . 2.44 109.632 179.798 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.92 -45.0 96.41 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.115 -0.991 . . . . 1.74 109.758 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' B' ' 344' ' ' LEU . 91.2 mt -61.2 -43.96 98.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.363 -0.836 . . . . 0.3 109.458 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 349' ' ' GLU . 41.3 t30 -58.24 -46.01 86.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.276 -0.89 . . . . 1.22 109.811 -179.858 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -38.68 91.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.294 -0.879 . . . . 1.72 110.03 -179.637 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.13 -53.91 52.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.165 -0.959 . . . . 0.27 110.038 -179.556 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.501 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 25.8 mt -60.68 -40.75 93.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.29 109.648 -179.59 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 345' ' ' ASN . 11.1 mt-10 -59.84 -35.91 75.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.889 . . . . 1.91 109.422 179.844 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.8 tt -64.63 -45.9 84.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.364 -0.835 . . . . 0.41 109.213 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.29 -37.44 83.2 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.406 -0.809 . . . . 1.56 108.858 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -57.7 -32.66 67.59 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.602 -0.686 . . . . 1.43 109.472 179.644 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.04 85.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.842 . . . . 0.66 109.333 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.51 -3.24 52.56 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 1.18 109.59 179.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.85 -82.59 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -0.91 . . . . 1.23 109.494 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.25 91.52 0.06 OUTLIER Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.57 -1.412 . . . . 1.54 109.57 179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.95 -162.38 0.73 Allowed 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.259 -1.142 . . . . 4.18 109.468 -179.904 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.53 0.86 Allowed Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.189 -0.944 . . . . 5.71 109.401 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.69 107.95 0.57 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.054 1.836 . . . . 5.61 110.141 179.876 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.957 -1.468 . . . . 7.24 109.514 -179.876 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.413 -0.588 . . . . 7.34 109.413 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.36 102.13 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.19 -0.943 . . . . 7.17 109.357 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.54 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 56.0 mttt 57.87 60.37 6.28 Favored Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 6.44 109.19 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.2 Cg_endo -61.87 84.68 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.316 2.011 . . . . 4.54 110.486 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.11 110.65 15.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 4.32 109.013 179.503 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -81.42 98.61 8.3 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.134 -0.979 . . . . 2.47 109.917 -179.833 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -74.82 158.48 51.35 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.18 -1.568 . . . . 0.95 109.18 179.557 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.42 123.16 14.51 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.001 -1.294 . . . . 1.61 108.815 179.723 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.427 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 62.7 m-85 -92.1 148.18 22.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.162 -0.961 . . . . 0.57 109.84 -179.438 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 66.2 m-85 -138.3 -168.17 2.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.393 -0.817 . . . . 0.53 109.257 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.436 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.0 p -153.52 157.72 40.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.38 109.282 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.72 131.4 14.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.189 -0.945 . . . . 0.36 109.569 -179.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.9 tt0 -86.35 130.9 34.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.322 -0.861 . . . . 1.36 109.218 179.744 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' B' ' 338' ' ' PHE . 38.9 mt -123.82 118.35 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.49 109.582 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.78 151.14 40.69 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.368 -0.833 . . . . 2.1 109.576 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.34 135.18 4.46 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.623 -1.391 . . . . 0.44 109.623 179.819 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.552 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.37 -51.3 9.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.263 -1.139 . . . . 2.72 109.518 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.15 -45.64 87.08 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 2.21 109.341 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.456 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 1.4 ttt180 -60.46 -41.12 93.47 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.275 -0.891 . . . . 2.79 109.477 -179.741 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' B' ' 332' ' ' ILE . 83.5 t80 -55.07 -55.01 35.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.338 -0.851 . . . . 0.45 109.68 -179.919 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -51.03 -37.06 43.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 1.68 109.873 -179.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -63.03 -50.48 70.49 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.208 -0.932 . . . . 0.43 110.224 -179.264 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 34.6 m-85 -60.1 -55.64 31.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.259 -0.901 . . . . 0.28 109.235 -179.745 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -50.54 -36.19 33.16 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.418 -0.801 . . . . 2.52 109.605 179.887 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 -60.88 -44.99 96.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.274 -0.891 . . . . 1.75 109.813 -179.756 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.603 HD22 HD22 ' A' ' 344' ' ' LEU . 91.3 mt -61.34 -43.79 98.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.214 -0.929 . . . . 0.31 109.474 -179.859 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -58.29 -45.98 86.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.314 -0.867 . . . . 1.21 109.813 -179.922 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.83 92.19 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.291 -0.881 . . . . 1.69 110.011 -179.624 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.756 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.96 -53.84 53.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.878 . . . . 0.27 110.093 -179.64 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.445 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 25.8 mt -60.67 -40.89 93.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.201 -0.937 . . . . 0.3 109.552 -179.586 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -59.83 -35.94 75.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.176 -0.953 . . . . 1.93 109.435 179.879 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.668 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.8 tt -64.51 -46.01 84.8 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.3 -0.875 . . . . 0.4 109.281 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.853 -0.795 . . . . 1.59 108.853 179.656 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.58 -32.66 67.38 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.558 -0.714 . . . . 1.43 109.47 179.629 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.19 -43.98 85.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.272 -0.892 . . . . 0.65 109.326 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -81.59 -3.23 52.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.288 -0.883 . . . . 1.19 109.488 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.97 -82.55 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.124 -0.985 . . . . 1.22 109.424 -179.942 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.2 91.43 0.06 OUTLIER Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.507 -1.437 . . . . 1.53 109.507 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -162.39 0.73 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.333 -1.098 . . . . 4.21 109.446 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.85 158.59 0.86 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 5.68 109.404 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.62 107.84 0.56 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.196 1.931 . . . . 5.57 110.107 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.037 -1.424 . . . . 7.2 109.544 179.988 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.475 -0.565 . . . . 8.96 109.475 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.23 102.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.156 -0.965 . . . . 8.15 109.39 -179.881 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.525 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 55.8 mttt 57.94 60.27 6.25 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.323 -0.86 . . . . 7.15 109.183 -179.786 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.525 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.2 Cg_endo -61.76 84.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.264 1.976 . . . . 4.35 110.581 -179.718 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.23 110.8 16.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.238 -0.914 . . . . 4.63 109.001 179.595 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -81.53 98.11 8.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.112 -0.992 . . . . 2.85 109.946 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -73.99 158.55 52.18 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.28 -1.528 . . . . 1.12 109.28 179.387 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.66 123.12 14.53 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.082 -1.246 . . . . 2.11 108.832 179.602 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 63.0 m-85 -92.02 148.17 22.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.073 -1.017 . . . . 0.64 109.895 -179.406 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 66.1 m-85 -138.33 -168.13 2.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.486 -0.759 . . . . 0.49 109.29 179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 37.2 p -153.51 157.8 40.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.47 109.262 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -149.83 131.35 14.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.275 -0.891 . . . . 0.42 109.536 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.93 34.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.195 -0.941 . . . . 1.81 109.175 179.821 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' C' ' 338' ' ' PHE . 38.2 mt -123.74 118.28 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.958 . . . . 0.42 109.687 -179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -73.71 151.27 40.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 2.35 109.512 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.13 135.16 4.35 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.684 -1.367 . . . . 0.41 109.684 179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.545 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.47 -51.21 9.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -1.22 . . . . 2.59 109.498 179.932 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.18 -45.72 87.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.851 . . . . 2.54 109.44 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.501 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 1.4 ttt180 -60.33 -41.1 92.84 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.347 -0.845 . . . . 3.39 109.491 -179.772 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' C' ' 332' ' ' ILE . 83.0 t80 -55.1 -55.08 35.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.376 -0.827 . . . . 0.47 109.628 -179.869 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.9 -37.21 42.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 1.66 109.969 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.83 -50.53 70.61 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.296 -0.878 . . . . 0.61 110.304 -179.331 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.429 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 35.0 m-85 -59.95 -55.62 31.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.224 -0.922 . . . . 0.33 109.331 -179.822 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.73 -36.12 34.78 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.441 -0.787 . . . . 3.28 109.615 179.868 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -60.8 -45.08 95.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 1.78 109.781 -179.782 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' D' ' 344' ' ' LEU . 91.0 mt -61.24 -43.94 98.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.29 -0.882 . . . . 0.38 109.431 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' C' ' 349' ' ' GLU . 41.4 t30 -58.26 -45.87 87.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.368 -0.833 . . . . 1.2 109.897 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -38.75 92.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.243 -0.911 . . . . 2.12 110.021 -179.703 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.81 54.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.901 . . . . 0.26 110.024 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.425 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 25.9 mt -60.76 -40.87 94.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.4 109.537 -179.555 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' C' ' 345' ' ' ASN . 11.1 mt-10 -59.74 -35.97 75.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.287 -0.883 . . . . 2.09 109.457 179.833 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.684 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.8 tt -64.62 -45.8 85.31 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -0.838 . . . . 0.75 109.34 -179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.6 ttmt -61.24 -37.58 83.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.393 -0.817 . . . . 2.19 108.904 179.608 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.54 -32.77 67.42 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.56 -0.712 . . . . 1.34 109.464 179.649 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.07 85.75 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.305 -0.872 . . . . 0.72 109.37 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.58 -3.22 52.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 1.8 109.498 179.896 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.95 -82.51 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 1.39 109.525 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.33 91.54 0.06 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.559 -1.416 . . . . 1.66 109.559 179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.78 -162.49 0.74 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.204 -1.174 . . . . 4.45 109.52 -179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.43 0.88 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.215 -0.928 . . . . 6.19 109.417 179.85 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.41 107.79 0.53 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.185 1.923 . . . . 5.58 110.084 179.839 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 117.967 -1.463 . . . . 6.9 109.62 179.973 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.55 -0.537 . . . . 7.36 109.55 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.29 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 7.15 109.418 -179.834 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.529 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 55.7 mttt 57.87 60.23 6.35 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.104 -0.997 . . . . 6.5 109.215 -179.775 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.1 Cg_endo -61.67 84.54 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.318 2.012 . . . . 4.5 110.595 -179.739 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.1 110.78 15.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.235 -0.916 . . . . 4.32 109.067 179.537 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.6 98.19 8.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.13 -0.982 . . . . 2.46 109.811 -179.642 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -74.06 158.46 52.04 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.213 -1.555 . . . . 0.97 109.213 179.398 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.55 123.32 15.13 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.028 -1.277 . . . . 1.67 108.78 179.554 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 63.2 m-85 -92.22 148.03 22.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.111 -0.993 . . . . 0.61 109.816 -179.397 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 65.6 m-85 -138.21 -168.14 2.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.822 . . . . 0.56 109.19 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.416 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.3 p -153.47 157.67 40.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.223 -0.923 . . . . 0.43 109.328 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.6 tp -149.72 131.37 14.93 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.237 -0.914 . . . . 0.35 109.539 -179.797 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 43.0 tt0 -86.37 130.98 34.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.358 -0.838 . . . . 1.37 109.183 179.809 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.445 HD12 ' CD1' ' D' ' 338' ' ' PHE . 39.4 mt -123.84 118.3 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.1 -1.0 . . . . 0.48 109.55 -179.917 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -73.71 151.22 40.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.36 -0.837 . . . . 2.08 109.497 179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.18 135.17 4.38 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.43 -51.24 9.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.272 -1.134 . . . . 2.64 109.522 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.11 -45.7 86.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.389 -0.82 . . . . 2.22 109.456 179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 1.4 ttt180 -60.41 -41.09 93.19 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.293 -0.879 . . . . 2.74 109.472 -179.799 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.445 ' CD1' HD12 ' D' ' 332' ' ' ILE . 83.3 t80 -55.0 -55.14 34.19 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.36 -0.837 . . . . 0.43 109.636 -179.846 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -50.95 -37.09 42.31 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.362 -0.836 . . . . 1.69 109.97 -179.765 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.94 -50.51 70.52 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.259 -0.901 . . . . 0.43 110.213 -179.287 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.445 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 34.7 m-85 -60.04 -55.55 32.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.191 -0.943 . . . . 0.27 109.34 -179.795 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -50.64 -36.14 33.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.369 -0.832 . . . . 2.45 109.628 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -60.93 -44.94 96.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 1.75 109.833 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.555 HD22 HD22 ' C' ' 344' ' ' LEU . 91.5 mt -61.31 -43.85 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.31 109.408 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' D' ' 349' ' ' GLU . 41.3 t30 -58.28 -46.03 86.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.315 -0.866 . . . . 1.22 109.79 -179.833 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.67 91.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 1.73 110.023 -179.648 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.683 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.23 -53.83 53.77 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.312 -0.868 . . . . 0.28 109.997 -179.49 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 25.3 mt -60.61 -40.8 93.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.253 -0.904 . . . . 0.31 109.705 -179.636 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' D' ' 345' ' ' ASN . 11.2 mt-10 -59.87 -35.88 75.73 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 1.91 109.468 179.819 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.8 tt -64.66 -45.88 84.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.309 -0.869 . . . . 0.43 109.238 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.6 ttmt -61.23 -37.62 83.7 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.445 -0.785 . . . . 1.57 108.887 179.634 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -57.65 -32.64 67.48 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.551 -0.718 . . . . 1.44 109.472 179.673 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.1 85.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.324 -0.86 . . . . 0.64 109.365 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -81.54 -3.24 52.65 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 1.21 109.519 179.853 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.89 -82.54 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.29 -0.882 . . . . 1.22 109.463 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -61.32 91.54 0.06 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.474 -1.45 . . . . 1.5 109.474 -179.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.89 -162.49 0.74 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.249 -1.148 . . . . 4.18 109.445 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.8 158.52 0.86 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.264 -0.898 . . . . 5.67 109.453 179.933 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.51 107.87 0.55 Allowed 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.088 1.859 . . . . 5.65 110.171 179.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.978 -1.456 . . . . 7.27 109.49 -179.869 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.437 -0.579 . . . . 7.33 109.437 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 10.0 tptt 58.94 91.75 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.231 -0.918 . . . . 7.21 109.23 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.732 ' CB ' ' CD ' ' A' ' 322' ' ' PRO . 17.1 mmtt 34.79 -91.11 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.855 0 CA-C-O 118.549 -0.739 . . . . 6.47 110.816 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.732 ' CD ' ' CB ' ' A' ' 321' ' ' LYS . 5.6 Cg_exo -53.65 141.87 62.75 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 CA-C-N 119.736 0.942 . . . . 4.53 110.416 179.743 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.89 139.93 35.63 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 4.35 109.546 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -79.74 -134.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.31 -0.869 . . . . 2.48 109.152 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.427 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.21 158.03 51.07 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.338 -1.505 . . . . 0.98 109.338 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.18 130.0 44.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.151 -1.205 . . . . 1.7 109.357 -179.74 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 16.9 m-85 -92.98 158.35 15.85 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.61 109.451 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.2 m-85 -139.38 -169.79 2.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.187 -0.946 . . . . 0.58 109.358 -179.898 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 12.1 p -153.56 160.06 42.37 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.047 -1.033 . . . . 0.42 109.565 -179.723 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 9.7 tp -148.89 129.62 14.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.852 . . . . 0.36 109.503 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -86.92 128.15 35.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.326 -0.859 . . . . 1.37 109.646 -179.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.494 HD12 ' HD1' ' A' ' 338' ' ' PHE . 33.1 mt -123.87 119.65 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.47 109.668 179.818 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.7 OUTLIER -73.49 149.79 42.05 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.305 -0.872 . . . . 2.1 109.589 179.873 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 89.37 130.46 3.95 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.769 -1.333 . . . . 0.42 109.769 179.811 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 2.2 ttp180 -76.93 -51.76 10.62 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -1.063 . . . . 2.68 109.504 179.902 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.05 -46.86 87.16 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 2.22 109.49 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.537 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.1 ttt180 -61.6 -42.8 99.39 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.255 -0.903 . . . . 2.77 109.452 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.3 t80 -55.46 -56.89 14.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.52 -0.737 . . . . 0.43 109.936 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.64 -32.98 20.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.66 109.909 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.7 -49.8 73.65 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.146 -0.972 . . . . 0.44 109.925 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.701 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 25.8 m-85 -61.34 -47.69 84.74 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.16 -0.963 . . . . 0.29 109.116 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.22 -41.25 60.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.411 -0.806 . . . . 2.44 109.552 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.08 -42.96 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 1.74 109.976 -179.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.33 -45.06 94.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.3 109.531 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.403 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 49.1 t30 -57.9 -46.0 85.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.298 -0.876 . . . . 1.22 109.767 -179.918 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -61.8 -37.56 84.83 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 1.72 109.731 -179.734 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.64 -45.32 94.53 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.27 109.908 -179.794 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.716 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 12.7 mt -61.61 -46.15 91.05 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.212 -0.93 . . . . 0.29 109.783 -179.621 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.53 -39.17 83.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.311 -0.868 . . . . 1.91 109.958 -179.885 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 15.8 tp -63.57 -43.46 96.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 0.41 109.762 -179.682 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.6 -39.03 89.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 1.56 108.834 179.819 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.6 -34.03 64.48 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.425 -0.797 . . . . 1.43 109.507 179.746 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.4 80.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.66 109.491 179.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.489 HE22 HD13 ' B' ' 350' ' ' LEU . 8.0 mt-30 -82.1 5.59 19.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.275 -0.891 . . . . 1.18 109.823 -179.852 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.37 -79.69 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.155 -0.965 . . . . 1.23 109.415 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.29 73.37 2.5 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.732 -1.347 . . . . 1.54 109.732 -179.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -88.75 20.34 3.54 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.221 -1.164 . . . . 4.18 109.703 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -49.69 152.09 2.69 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.156 -0.965 . . . . 5.71 109.636 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.72 153.61 66.23 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.228 1.952 . . . . 5.61 110.142 -179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 CA-C-O 117.995 -1.447 . . . . 7.24 109.534 179.982 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.428 -0.582 . . . . 7.34 109.428 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.555 ' O ' ' HD2' ' B' ' 322' ' ' PRO . 10.0 tptt 58.85 91.68 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.262 -0.899 . . . . 7.17 109.307 -179.838 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.719 ' CB ' ' CD ' ' B' ' 322' ' ' PRO . 17.1 mmtt 34.85 -91.17 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.851 0 CA-C-O 118.503 -0.76 . . . . 6.44 110.819 -179.835 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.719 ' CD ' ' CB ' ' B' ' 321' ' ' LYS . 5.6 Cg_exo -53.8 141.81 64.62 Favored 'Trans proline' 0 C--O 1.214 -0.685 0 CA-C-N 119.763 0.951 . . . . 4.54 110.395 179.854 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -80.75 139.98 35.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.331 -0.856 . . . . 4.32 109.473 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.81 -135.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 2.47 109.089 179.828 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.66 158.19 49.78 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.366 -1.494 . . . . 0.95 109.366 179.851 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.43 130.12 45.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.196 -1.179 . . . . 1.61 109.414 -179.889 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 17.2 m-85 -93.1 158.33 15.83 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.338 -0.851 . . . . 0.57 109.403 -179.957 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.2 m-85 -139.31 -169.67 2.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.284 -0.885 . . . . 0.53 109.51 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.3 p -153.58 160.1 42.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.094 -1.004 . . . . 0.38 109.646 -179.732 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.7 tp -148.94 129.71 14.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.36 109.453 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -87.0 128.28 35.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.285 -0.884 . . . . 1.36 109.545 -179.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.498 HD12 ' HD1' ' B' ' 338' ' ' PHE . 33.0 mt -124.02 119.68 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.216 -0.927 . . . . 0.49 109.561 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.488 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.7 OUTLIER -73.63 149.89 41.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.929 . . . . 2.1 109.47 179.92 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.453 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 89.36 130.5 3.96 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.706 -1.358 . . . . 0.44 109.706 179.719 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 2.2 ttp180 -76.94 -51.81 10.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.324 -1.104 . . . . 2.72 109.431 179.928 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.84 87.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.295 -0.878 . . . . 2.21 109.588 179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.493 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.1 ttt180 -61.52 -42.85 99.42 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 2.79 109.448 -179.845 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.498 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.9 t80 -55.56 -56.86 15.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.471 -0.768 . . . . 0.45 109.838 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.57 -33.02 20.32 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.337 -0.852 . . . . 1.68 109.893 -179.669 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.109 -0.994 . . . . 0.43 109.847 -179.609 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.675 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 25.6 m-85 -61.31 -47.69 84.79 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.218 -0.926 . . . . 0.28 109.12 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -51.21 -41.31 60.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.384 -0.822 . . . . 2.52 109.526 179.829 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.17 -42.83 95.82 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 1.75 109.923 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.29 -45.13 94.64 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.31 109.576 -179.802 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.88 -45.96 85.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.288 -0.883 . . . . 1.21 109.821 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.8 -37.58 84.91 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.935 . . . . 1.69 109.742 -179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.954 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.6 -45.23 94.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.279 -0.888 . . . . 0.27 109.948 -179.84 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.717 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 12.7 mt -61.67 -46.12 91.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.3 -0.875 . . . . 0.3 109.807 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.57 -39.24 83.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.298 -0.876 . . . . 1.93 109.948 -179.845 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 16.3 tp -63.45 -43.55 97.07 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.239 -0.913 . . . . 0.4 109.76 -179.741 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.57 -39.03 89.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 1.59 108.853 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.56 -34.16 64.5 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.616 -0.678 . . . . 1.43 109.471 179.747 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.44 80.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.898 . . . . 0.65 109.433 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.496 HE22 HD13 ' A' ' 350' ' ' LEU . 7.9 mt-30 -82.03 5.5 19.14 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.225 -0.922 . . . . 1.19 109.749 -179.816 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.29 -79.56 0.06 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.142 -0.974 . . . . 1.22 109.514 -179.962 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.45 73.21 2.54 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.718 -1.353 . . . . 1.53 109.718 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -88.57 20.29 3.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.15 -1.206 . . . . 4.21 109.741 -179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -49.68 152.15 2.65 Favored Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.163 -0.96 . . . . 5.68 109.563 -179.848 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.63 153.58 66.06 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.242 1.961 . . . . 5.57 110.166 179.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.516 -1.434 . . . . 7.2 109.516 179.909 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 33.0 mttt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.483 -0.562 . . . . 8.96 109.483 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.545 ' O ' ' HD2' ' C' ' 322' ' ' PRO . 10.1 tptt 59.03 91.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 8.15 109.178 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.731 ' CB ' ' CD ' ' C' ' 322' ' ' PRO . 17.1 mmtt 34.79 -90.99 0.0 OUTLIER Pre-proline 0 N--CA 1.495 1.814 0 CA-C-O 118.522 -0.751 . . . . 7.15 110.892 -179.765 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.731 ' CD ' ' CB ' ' C' ' 321' ' ' LYS . 5.5 Cg_exo -53.69 141.91 63.08 Favored 'Trans proline' 0 C--O 1.216 -0.624 0 CA-C-N 119.731 0.94 . . . . 4.35 110.456 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -80.85 139.85 35.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.382 -0.824 . . . . 4.63 109.476 179.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.72 -134.85 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.259 -0.9 . . . . 2.85 109.074 179.786 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.03 158.03 50.86 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.303 -1.519 . . . . 1.12 109.303 179.971 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -58.15 130.06 44.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -1.155 . . . . 2.11 109.414 -179.793 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 17.0 m-85 -93.02 158.4 15.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -0.883 . . . . 0.64 109.486 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.2 m-85 -139.39 -169.73 2.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.203 -0.936 . . . . 0.49 109.45 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.497 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 12.2 p -153.63 160.03 42.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.194 -0.941 . . . . 0.47 109.661 -179.756 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.6 tp -148.84 129.81 14.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.313 -0.867 . . . . 0.42 109.46 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -87.12 128.1 35.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.22 -0.925 . . . . 1.81 109.531 -179.919 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' C' ' 338' ' ' PHE . 33.5 mt -123.86 119.72 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.148 -0.97 . . . . 0.42 109.618 179.8 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.7 OUTLIER -73.57 149.82 41.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.241 -0.912 . . . . 2.35 109.458 179.941 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 89.32 130.47 3.93 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.755 -1.338 . . . . 0.41 109.755 179.779 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 2.2 ttp180 -76.8 -51.82 10.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -1.154 . . . . 2.59 109.483 179.85 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.04 -46.81 87.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.228 -0.92 . . . . 2.54 109.579 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.1 ttt180 -61.64 -42.82 99.43 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.327 -0.858 . . . . 3.39 109.469 -179.837 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.9 t80 -55.5 -56.9 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.372 -0.83 . . . . 0.47 109.83 -179.871 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -50.54 -33.09 20.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.332 -0.855 . . . . 1.66 110.013 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.65 -49.78 73.8 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.093 -1.004 . . . . 0.61 109.919 -179.654 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.716 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 25.5 m-85 -61.45 -47.67 84.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.33 109.094 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.11 -41.35 59.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.354 -0.842 . . . . 3.28 109.592 179.78 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.11 -42.92 95.75 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.291 -0.88 . . . . 1.78 109.941 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' C' ' 344' ' ' LEU . 87.6 mt -62.34 -45.03 95.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.38 109.578 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -57.92 -46.01 85.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.848 . . . . 1.2 109.727 -179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 5.1 mt-10 -61.92 -37.32 84.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.12 109.759 -179.644 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.67 -45.27 94.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 0.26 109.969 -179.921 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.701 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 12.6 mt -61.75 -46.13 90.94 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.253 -0.905 . . . . 0.4 109.788 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -59.39 -39.27 82.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.187 -0.945 . . . . 2.09 109.92 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.53 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.3 tp -63.54 -43.53 96.81 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.75 109.691 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -61.55 -39.02 89.59 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.27 -0.894 . . . . 2.19 108.898 179.831 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.65 -34.04 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.452 -0.78 . . . . 1.34 109.457 179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.37 80.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.72 109.424 -179.961 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.494 HE22 HD13 ' D' ' 350' ' ' LEU . 8.0 mt-30 -82.11 5.7 18.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.326 -0.859 . . . . 1.8 109.837 -179.895 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.46 -79.63 0.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.973 . . . . 1.39 109.457 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.28 73.23 2.51 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.726 -1.35 . . . . 1.66 109.726 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -88.62 20.23 3.54 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.289 -1.124 . . . . 4.45 109.798 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -49.65 152.04 2.68 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.089 -1.007 . . . . 6.19 109.695 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.66 153.56 66.31 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.225 1.95 . . . . 5.58 110.226 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.975 -1.458 . . . . 6.9 109.545 179.958 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 33.1 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.397 -0.594 . . . . 7.36 109.397 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.566 ' O ' ' HD2' ' D' ' 322' ' ' PRO . 9.9 tptt 58.9 91.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 7.15 109.267 -179.876 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.728 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 17.0 mmtt 34.73 -91.07 0.0 OUTLIER Pre-proline 0 N--CA 1.496 1.844 0 CA-C-O 118.513 -0.756 . . . . 6.5 110.845 -179.777 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.728 ' CD ' ' CB ' ' D' ' 321' ' ' LYS . 5.5 Cg_exo -53.6 141.86 62.16 Favored 'Trans proline' 0 C--O 1.216 -0.616 0 CA-C-N 119.688 0.924 . . . . 4.5 110.502 179.706 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.96 139.97 35.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.838 . . . . 4.32 109.444 179.901 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -79.78 -134.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.242 -0.911 . . . . 2.46 109.039 179.933 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.428 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -66.92 157.96 50.66 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.347 -1.501 . . . . 0.97 109.347 179.885 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -58.08 129.96 44.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.195 -1.179 . . . . 1.67 109.495 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 17.1 m-85 -93.01 158.48 15.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.32 -0.863 . . . . 0.61 109.444 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -139.44 -169.82 2.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.28 -0.887 . . . . 0.56 109.408 -179.885 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.484 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 12.1 p -153.54 160.13 42.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.43 109.716 -179.828 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -148.92 129.67 14.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.343 -0.848 . . . . 0.35 109.421 -179.809 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.7 tp60 -86.97 128.17 35.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 1.37 109.55 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.502 HD12 ' HD1' ' D' ' 338' ' ' PHE . 33.4 mt -123.96 119.61 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.48 109.584 179.81 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.495 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 0.7 OUTLIER -73.51 149.84 41.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.933 . . . . 2.08 109.517 179.832 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 89.39 130.22 3.88 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.824 -1.31 . . . . 0.4 109.824 179.751 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 2.2 ttp180 -76.7 -51.78 10.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -1.111 . . . . 2.64 109.518 179.917 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.05 -46.71 87.56 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.3 -0.875 . . . . 2.22 109.571 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.1 ttt180 -61.65 -42.83 99.44 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.339 -0.851 . . . . 2.74 109.433 -179.822 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.502 ' HD1' HD12 ' D' ' 332' ' ' ILE . 46.0 t80 -55.54 -56.9 14.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.468 -0.77 . . . . 0.43 109.832 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -50.49 -33.2 20.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 1.69 109.882 -179.64 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.58 -49.96 73.2 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.112 -0.993 . . . . 0.43 109.906 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.717 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 25.7 m-85 -61.29 -47.62 85.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.27 109.192 179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -51.16 -41.36 60.1 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.38 -0.825 . . . . 2.45 109.579 179.748 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.14 -42.78 95.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 1.75 110.011 -179.68 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' D' ' 344' ' ' LEU . 88.0 mt -62.36 -45.16 94.45 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.919 . . . . 0.31 109.547 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.442 ' HA ' ' CZ ' ' B' ' 341' ' ' PHE . 49.1 t30 -57.84 -45.97 85.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.37 -0.831 . . . . 1.22 109.765 -179.939 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.8 -37.5 84.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.216 -0.927 . . . . 1.73 109.754 -179.748 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.916 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.64 -45.34 94.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.877 . . . . 0.28 109.943 -179.832 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 12.8 mt -61.63 -46.1 91.23 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.327 -0.858 . . . . 0.31 109.863 -179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.48 -39.21 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 1.91 109.895 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.53 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 16.0 tp -63.63 -43.51 96.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.212 -0.93 . . . . 0.43 109.718 -179.599 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.441 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 12.3 ttmm -61.5 -39.02 89.46 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.26 -0.9 . . . . 1.57 108.897 179.725 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.53 -34.2 64.46 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.593 -0.692 . . . . 1.44 109.47 179.717 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.24 80.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.246 -0.909 . . . . 0.64 109.528 -179.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.52 HE22 HD13 ' C' ' 350' ' ' LEU . 7.9 mt-30 -82.16 5.67 18.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.858 . . . . 1.21 109.828 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.38 -79.73 0.06 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 1.22 109.364 -179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -80.21 73.17 2.51 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.785 -1.326 . . . . 1.5 109.785 -179.874 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -88.65 20.3 3.51 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.191 -1.182 . . . . 4.18 109.728 -179.841 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -49.71 151.99 2.76 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.117 -0.99 . . . . 5.67 109.688 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.47 153.49 65.89 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.289 1.992 . . . . 5.65 110.209 179.979 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.007 -1.44 . . . . 7.27 109.57 179.867 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.259 -0.645 . . . . 7.33 109.259 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 9.9 mttt 77.44 -29.51 0.17 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.342 -0.849 . . . . 7.21 110.586 -179.869 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.44 ' CG ' HD21 ' A' ' 323' ' ' LEU . 19.2 tttt 58.35 66.77 2.45 Favored Pre-proline 0 N--CA 1.487 1.392 0 O-C-N 120.763 -1.211 . . . . 6.47 109.376 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.4 86.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.067 1.844 . . . . 4.53 110.427 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.44 HD21 ' CG ' ' A' ' 321' ' ' LYS . 17.3 mt -84.99 43.61 1.01 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 4.35 109.803 179.873 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.5 -163.79 0.56 Allowed 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.377 -0.827 . . . . 2.48 109.585 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 166.74 45.03 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.583 -1.407 . . . . 0.98 109.583 -179.799 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -58.74 141.76 51.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.338 -1.095 . . . . 1.7 109.563 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -93.81 154.26 17.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.362 -0.837 . . . . 0.61 109.35 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' C' ' 335' ' ' ARG . 67.6 m-85 -138.72 -168.33 2.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.234 -0.916 . . . . 0.58 109.496 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.1 p -152.93 161.1 42.97 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.234 -0.916 . . . . 0.42 109.597 -179.798 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' C' ' 329' ' ' THR . 15.7 tp -148.93 132.68 16.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.199 -0.938 . . . . 0.36 109.474 -179.732 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 1.0 OUTLIER -86.3 126.23 34.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.315 -0.866 . . . . 1.37 109.617 -179.856 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.486 HD13 ' CD2' ' A' ' 341' ' ' PHE . 41.9 mt -124.0 115.28 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.254 -0.904 . . . . 0.47 109.407 179.759 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.62 147.0 44.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.346 -0.846 . . . . 2.1 109.547 -179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 99.54 134.46 8.51 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.881 -1.288 . . . . 0.42 109.881 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.6 -58.34 3.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 2.68 109.371 179.844 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -58.63 -45.34 89.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.27 -0.894 . . . . 2.22 109.424 179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.525 ' NH1' HD22 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -60.44 -41.62 94.43 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.278 -0.889 . . . . 2.77 109.472 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' C' ' 329' ' ' THR . 46.2 t80 -55.9 -53.98 50.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.272 -0.893 . . . . 0.43 109.48 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -50.83 -31.18 16.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.332 -0.855 . . . . 1.66 110.031 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 32.6 ttp -64.69 -48.95 72.81 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.124 -0.985 . . . . 0.44 109.671 -179.761 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 332' ' ' ILE . 22.1 m-85 -60.58 -52.12 66.49 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.144 -0.972 . . . . 0.29 109.253 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.55 -39.21 48.65 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.351 -0.843 . . . . 2.44 109.735 179.916 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -61.18 -43.87 98.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 1.74 110.005 -179.848 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.96 -45.78 92.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.3 109.627 -179.682 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.1 -44.19 87.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.336 -0.852 . . . . 1.22 109.849 -179.843 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.99 -41.38 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -0.861 . . . . 1.72 109.776 -179.722 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.69 -46.54 87.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.27 109.559 -179.82 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.595 HD22 ' NH1' ' C' ' 337' ' ' ARG . 25.5 mt -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.451 -0.781 . . . . 0.29 109.553 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.46 -38.01 82.82 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 1.91 109.801 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.689 HD11 HE22 ' B' ' 354' ' ' GLN . 16.2 tp -63.22 -48.61 77.55 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.425 -0.797 . . . . 0.41 109.879 -179.515 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.72 83.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 1.56 109.112 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -33.72 68.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.582 -0.699 . . . . 1.43 109.717 179.844 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.69 13.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.66 109.651 -179.725 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.692 HE22 HD11 ' B' ' 350' ' ' LEU . 22.3 mt-30 -80.17 2.48 24.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.258 -0.901 . . . . 1.18 109.649 179.942 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -80.93 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.167 -0.958 . . . . 1.23 109.78 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.41 26.44 5.71 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.353 -1.099 . . . . 1.54 110.353 -179.512 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.9 0.38 55.92 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.938 -1.331 . . . . 4.18 109.67 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.441 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 1.0 OUTLIER -51.43 158.25 1.48 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.088 -1.007 . . . . 5.71 109.621 -179.907 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 2.3 Cg_endo -62.48 132.25 37.38 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.125 1.883 . . . . 5.61 110.226 179.915 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 118.043 -1.421 . . . . 7.24 109.55 180.0 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.237 -0.653 . . . . 7.34 109.237 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 9.9 mttt 77.43 -29.52 0.17 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.221 -0.924 . . . . 7.17 110.574 -179.828 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.432 ' CG ' HD21 ' B' ' 323' ' ' LEU . 19.2 tttt 58.36 66.84 2.41 Favored Pre-proline 0 N--CA 1.487 1.378 0 O-C-N 120.837 -1.164 . . . . 6.44 109.382 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.48 86.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.145 1.897 . . . . 4.54 110.357 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.432 HD21 ' CG ' ' B' ' 321' ' ' LYS . 17.2 mt -85.09 43.79 1.03 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 4.32 109.744 179.888 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.55 -164.18 0.61 Allowed 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.4 -0.813 . . . . 2.47 109.657 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.0 166.73 43.6 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.621 -1.392 . . . . 0.95 109.621 -179.928 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -58.8 141.76 52.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.368 -1.078 . . . . 1.61 109.593 -179.962 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -93.76 154.28 17.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.57 109.385 179.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.587 ' CZ ' ' HD2' ' D' ' 335' ' ' ARG . 67.7 m-85 -138.71 -168.24 2.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.53 109.589 -179.846 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 15.7 p -153.04 161.08 42.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.38 109.563 -179.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' D' ' 329' ' ' THR . 15.8 tp -148.92 132.95 17.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.36 109.411 -179.754 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -86.45 126.25 34.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 1.36 109.541 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' B' ' 341' ' ' PHE . 41.3 mt -123.97 115.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -0.938 . . . . 0.49 109.451 179.639 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.61 146.92 44.29 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 2.1 109.676 179.952 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 99.54 134.57 8.55 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.947 -1.261 . . . . 0.44 109.947 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.572 ' HD2' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -79.62 -58.39 3.21 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.376 -1.073 . . . . 2.72 109.354 179.857 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' B' ' 337' ' ' ARG . 15.7 pt-20 -58.6 -45.29 89.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.31 -0.869 . . . . 2.21 109.437 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.624 ' NH1' HD22 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -60.6 -41.47 94.81 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.343 -0.848 . . . . 2.79 109.476 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' D' ' 329' ' ' THR . 46.2 t80 -56.09 -53.89 51.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.273 -0.892 . . . . 0.45 109.43 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.9 -31.05 16.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.495 -0.753 . . . . 1.68 110.111 -179.793 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.483 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 32.7 ttp -64.83 -48.88 72.74 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.075 -1.016 . . . . 0.43 109.601 -179.738 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD2' HD13 ' B' ' 332' ' ' ILE . 21.8 m-85 -60.59 -51.97 67.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.221 -0.924 . . . . 0.28 109.304 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.468 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.64 -39.25 50.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.362 -0.836 . . . . 2.52 109.615 179.94 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.28 -43.74 98.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.254 -0.904 . . . . 1.75 109.956 -179.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.01 -45.73 92.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.202 -0.936 . . . . 0.31 109.612 -179.667 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.11 -44.11 87.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.349 -0.844 . . . . 1.21 109.89 -179.871 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.05 -41.44 98.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.295 -0.878 . . . . 1.69 109.721 -179.704 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.776 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.69 -46.39 87.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.323 -0.86 . . . . 0.27 109.59 -179.747 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.609 HD22 ' NH1' ' D' ' 337' ' ' ARG . 25.5 mt -62.18 -40.55 96.39 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.3 109.581 -179.829 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -60.61 -37.92 83.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.369 -0.832 . . . . 1.93 109.725 179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.692 HD11 HE22 ' A' ' 354' ' ' GLN . 16.1 tp -63.14 -48.76 77.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.507 -0.746 . . . . 0.4 109.841 -179.585 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.02 -37.77 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.289 -0.882 . . . . 1.59 109.141 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.46 -33.69 68.22 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.489 -0.757 . . . . 1.43 109.685 179.881 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.95 -55.69 13.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.65 109.691 -179.743 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.689 HE22 HD11 ' A' ' 350' ' ' LEU . 22.3 mt-30 -80.24 2.45 24.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.318 -0.864 . . . . 1.19 109.621 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.46 -80.95 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.227 -0.92 . . . . 1.22 109.799 -179.836 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 26.45 5.76 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.455 -1.058 . . . . 1.53 110.455 -179.547 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.81 0.39 55.85 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.925 -1.338 . . . . 4.21 109.841 179.831 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.449 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 1.0 OUTLIER -51.42 158.12 1.51 Allowed Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.185 -0.947 . . . . 5.68 109.547 -179.964 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 2.3 Cg_endo -62.31 132.21 37.63 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.208 1.939 . . . . 5.57 110.236 179.83 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.923 -1.487 . . . . 7.2 109.542 179.96 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.261 -0.644 . . . . 8.96 109.261 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 9.9 mttt 77.6 -29.73 0.16 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.289 -0.882 . . . . 8.15 110.557 -179.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.438 ' CG ' HD21 ' C' ' 323' ' ' LEU . 19.1 tttt 58.47 66.76 2.41 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 120.781 -1.2 . . . . 7.15 109.322 -179.902 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.5 86.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.161 1.908 . . . . 4.35 110.365 -179.961 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.438 HD21 ' CG ' ' C' ' 321' ' ' LYS . 17.2 mt -85.02 43.84 1.03 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.343 -0.848 . . . . 4.63 109.804 179.838 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.59 -163.85 0.57 Allowed 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.381 -0.824 . . . . 2.85 109.65 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.29 166.73 44.6 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.661 -1.376 . . . . 1.12 109.661 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -58.72 141.76 51.86 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 2.11 109.568 -179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -93.8 154.29 17.83 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.352 -0.842 . . . . 0.64 109.312 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.558 ' CZ ' ' HD2' ' A' ' 335' ' ' ARG . 67.8 m-85 -138.71 -168.36 2.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.157 -0.964 . . . . 0.49 109.584 -179.835 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.0 p -152.96 160.98 43.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.162 -0.961 . . . . 0.47 109.619 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 329' ' ' THR . 15.8 tp -148.84 132.79 17.13 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.322 -0.861 . . . . 0.42 109.498 -179.739 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.34 126.24 34.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 1.81 109.588 -179.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.482 HD13 ' CD2' ' C' ' 341' ' ' PHE . 41.6 mt -123.98 115.32 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.14 -0.975 . . . . 0.42 109.427 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.66 146.86 44.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.283 -0.886 . . . . 2.35 109.674 179.99 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 99.62 134.43 8.5 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.95 -1.26 . . . . 0.41 109.95 179.691 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -79.47 -58.41 3.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.315 -1.109 . . . . 2.59 109.444 179.84 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -58.62 -45.27 89.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.312 -0.867 . . . . 2.54 109.452 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.595 ' NH1' HD22 ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.66 -41.56 95.24 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.291 -0.88 . . . . 3.39 109.367 -179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.44 ' CE1' ' O ' ' A' ' 329' ' ' THR . 46.1 t80 -56.05 -53.86 51.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 0.47 109.496 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -50.87 -31.14 16.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 1.66 110.088 -179.833 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.484 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 32.7 ttp -64.79 -48.85 72.97 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.078 -1.014 . . . . 0.61 109.647 -179.77 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.482 ' CD2' HD13 ' C' ' 332' ' ' ILE . 22.3 m-85 -60.57 -52.15 66.41 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.167 -0.958 . . . . 0.33 109.3 179.861 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.467 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.63 -39.2 49.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 3.28 109.696 179.901 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.22 -43.77 98.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.196 -0.94 . . . . 1.78 109.943 -179.756 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' D' ' 344' ' ' LEU . 82.2 mt -61.99 -45.67 92.6 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.38 109.727 -179.758 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.24 -44.11 88.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.375 -0.828 . . . . 1.2 109.834 -179.821 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.95 -41.48 98.03 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.31 -0.869 . . . . 2.12 109.752 -179.745 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.63 -46.48 86.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.3 -0.875 . . . . 0.26 109.574 -179.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.525 HD22 ' NH1' ' A' ' 337' ' ' ARG . 25.8 mt -62.12 -40.61 96.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.4 109.537 -179.851 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.51 -38.09 83.23 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 2.09 109.718 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.842 HD11 HE22 ' D' ' 354' ' ' GLN . 16.1 tp -63.18 -48.58 77.76 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.361 -0.837 . . . . 0.75 109.949 -179.574 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -61.15 -37.75 83.98 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.193 -0.942 . . . . 2.19 109.049 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -33.6 68.19 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.598 -0.689 . . . . 1.34 109.7 179.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.08 -55.63 13.49 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.72 109.596 -179.676 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.747 HE22 HD11 ' D' ' 350' ' ' LEU . 22.2 mt-30 -80.31 2.47 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 1.8 109.548 -179.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.44 -80.92 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.17 -0.956 . . . . 1.39 109.883 -179.898 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 26.43 5.77 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 110.3 -1.12 . . . . 1.66 110.3 -179.542 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.84 0.32 55.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.975 -1.309 . . . . 4.45 109.738 179.885 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 1.0 OUTLIER -51.39 158.24 1.46 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.109 -0.995 . . . . 6.19 109.591 -179.906 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 2.3 Cg_endo -62.43 132.26 37.54 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.146 1.898 . . . . 5.58 110.236 179.86 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.947 -1.474 . . . . 6.9 109.51 179.924 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.25 -0.648 . . . . 7.36 109.25 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 9.9 mttt 77.53 -29.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.36 -0.838 . . . . 7.15 110.533 -179.902 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.447 ' CG ' HD21 ' D' ' 323' ' ' LEU . 19.1 tttt 58.46 66.76 2.42 Favored Pre-proline 0 N--CA 1.486 1.372 0 O-C-N 120.73 -1.231 . . . . 6.5 109.38 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.46 86.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.136 1.89 . . . . 4.5 110.416 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.447 HD21 ' CG ' ' D' ' 321' ' ' LYS . 17.1 mt -84.98 43.7 1.02 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.276 -0.89 . . . . 4.32 109.827 179.821 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -79.43 -163.87 0.57 Allowed 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.356 -0.84 . . . . 2.46 109.666 -179.834 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.71 44.86 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.603 -1.399 . . . . 0.97 109.603 -179.894 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -58.72 141.8 51.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.186 -1.185 . . . . 1.67 109.548 -179.899 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -93.83 154.2 17.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.332 -0.855 . . . . 0.61 109.377 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' B' ' 335' ' ' ARG . 67.7 m-85 -138.74 -168.3 2.38 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.152 -0.968 . . . . 0.56 109.533 -179.812 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.463 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.0 p -152.99 161.09 42.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.18 -0.95 . . . . 0.43 109.63 -179.743 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.0 tp -148.9 132.78 17.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.35 109.549 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.35 126.17 34.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 1.37 109.626 -179.839 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' D' ' 341' ' ' PHE . 41.4 mt -123.91 115.24 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.171 -0.956 . . . . 0.48 109.485 179.702 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.59 146.79 44.42 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -0.869 . . . . 2.08 109.638 -179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 99.68 134.44 8.5 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.864 -1.294 . . . . 0.4 109.864 179.64 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.587 ' HD2' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.53 -58.42 3.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.222 -1.163 . . . . 2.64 109.395 179.828 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' D' ' 337' ' ' ARG . 15.7 pt-20 -58.63 -45.33 89.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.403 -0.811 . . . . 2.22 109.407 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.609 ' NH1' HD22 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.45 -41.64 94.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.332 -0.855 . . . . 2.74 109.468 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' B' ' 329' ' ' THR . 46.5 t80 -55.88 -53.95 50.59 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.257 -0.902 . . . . 0.43 109.513 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -50.92 -31.07 16.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 1.69 110.063 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.489 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 32.5 ttp -64.85 -48.83 72.91 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.087 -1.008 . . . . 0.43 109.644 -179.742 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' D' ' 332' ' ' ILE . 22.0 m-85 -60.55 -52.14 66.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.27 109.26 179.865 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.45 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.69 -39.17 50.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.342 -0.849 . . . . 2.45 109.647 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.24 -43.81 98.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.917 . . . . 1.75 109.927 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 344' ' ' LEU . 82.1 mt -61.88 -45.73 92.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.286 -0.883 . . . . 0.31 109.71 -179.718 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.2 -44.13 87.97 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 1.22 109.826 -179.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.06 -41.4 98.11 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.273 -0.892 . . . . 1.73 109.748 -179.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.876 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.74 -46.23 87.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.347 -0.845 . . . . 0.28 109.651 -179.807 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.624 HD22 ' NH1' ' B' ' 337' ' ' ARG . 25.8 mt -62.27 -40.68 97.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.31 109.412 -179.892 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -60.43 -38.21 83.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.455 -0.778 . . . . 1.91 109.726 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.747 HD11 HE22 ' C' ' 354' ' ' GLN . 16.1 tp -63.0 -48.67 77.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.43 109.978 -179.609 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -61.11 -37.8 84.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -0.924 . . . . 1.57 109.124 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.41 -33.65 68.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.643 -0.661 . . . . 1.44 109.737 179.818 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.65 13.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.64 109.71 -179.739 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.842 HE22 HD11 ' C' ' 350' ' ' LEU . 22.4 mt-30 -80.19 2.45 24.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -0.879 . . . . 1.21 109.662 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.4 -81.04 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.328 -0.857 . . . . 1.22 109.86 -179.939 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.37 26.41 5.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 110.458 -1.057 . . . . 1.5 110.458 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.86 0.35 55.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.942 -1.328 . . . . 4.18 109.758 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 1.0 OUTLIER -51.37 158.14 1.48 Allowed Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.144 -0.972 . . . . 5.67 109.618 -179.955 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 2.3 Cg_endo -62.39 132.15 37.15 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.207 1.938 . . . . 5.65 110.162 179.867 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 117.984 -1.453 . . . . 7.27 109.58 179.952 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 3.1 mtmt . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.419 -0.586 . . . . 7.33 109.419 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 0.0 OUTLIER 80.88 -40.95 0.16 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.528 -0.733 . . . . 7.21 110.184 -179.859 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 59.97 99.93 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.985 -1.072 . . . . 6.47 109.582 179.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.13 127.34 23.8 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.005 1.803 . . . . 4.53 110.23 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 323' ' ' LEU . 49.6 mt -80.65 124.08 28.7 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.313 -0.867 . . . . 4.35 109.635 -179.863 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -81.78 6.44 15.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 2.48 109.797 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.72 151.28 52.01 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.7 -1.36 . . . . 0.98 109.7 -179.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.27 132.94 55.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.338 -1.095 . . . . 1.7 109.703 -179.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.57 157.8 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.181 -0.949 . . . . 0.61 109.383 179.84 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 97.3 m-85 -140.17 -174.88 4.05 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.328 -0.858 . . . . 0.58 109.48 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 4.0 p -153.12 159.68 42.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.981 . . . . 0.42 109.688 -179.681 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.58 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.5 tp -148.23 130.26 15.36 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.36 109.365 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.97 34.29 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.874 . . . . 1.37 109.676 -179.872 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.7 mt -123.98 118.85 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.935 . . . . 0.47 109.412 179.715 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 334' ' ' GLY . 0.1 OUTLIER -74.21 136.39 42.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 2.1 109.606 179.947 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.471 ' N ' ' HD3' ' A' ' 333' ' ' ARG . . . 103.11 129.9 6.8 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.888 -1.285 . . . . 0.42 109.888 179.637 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 55.7 ttt180 -74.83 -54.71 6.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.34 -1.094 . . . . 2.68 109.421 179.859 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.07 -45.99 86.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.299 -0.875 . . . . 2.22 109.541 179.954 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.7 OUTLIER -60.6 -41.67 95.23 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.262 -0.899 . . . . 2.77 109.38 179.958 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' C' ' 329' ' ' THR . 61.6 t80 -56.05 -55.81 28.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.538 -0.726 . . . . 0.43 109.784 -179.884 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.87 -33.74 17.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 1.66 110.024 -179.515 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.82 -49.18 75.94 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.188 -0.945 . . . . 0.44 109.77 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.554 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 21.0 m-85 -61.64 -50.78 71.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.366 -0.834 . . . . 0.29 109.172 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.457 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.94 32.86 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.358 -0.839 . . . . 2.44 109.603 179.754 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.21 -48.57 81.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.138 -0.976 . . . . 1.74 109.493 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.99 -35.16 77.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.3 109.038 179.65 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.569 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.5 t-20 -59.4 -52.74 64.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.38 -0.825 . . . . 1.22 109.651 179.87 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -62.82 -33.24 74.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.436 -0.79 . . . . 1.72 109.884 -179.646 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.35 -51.59 68.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.189 -0.944 . . . . 0.27 110.106 -179.638 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.6 mt -61.23 -43.69 98.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.238 -0.913 . . . . 0.29 109.814 -179.615 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -59.83 -38.57 82.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.199 -0.938 . . . . 1.91 109.717 -179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.702 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -64.85 -41.77 95.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.41 109.192 -179.596 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.455 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.3 OUTLIER -61.6 -40.53 95.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.828 . . . . 1.56 108.89 179.625 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.88 -35.08 63.69 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.622 -0.674 . . . . 1.43 109.492 179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.84 87.73 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.301 -0.874 . . . . 0.66 109.289 179.815 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.471 ' OE1' HD21 ' B' ' 350' ' ' LEU . 7.3 mt-30 -82.2 -5.54 58.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.437 -0.789 . . . . 1.18 109.521 179.846 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -88.72 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 1.23 109.428 179.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.27 97.81 2.03 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.609 -1.397 . . . . 1.54 109.609 179.926 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -87.84 110.99 20.92 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -1.135 . . . . 4.18 109.386 179.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 359' ' ' PRO . 18.6 tt0 -50.42 138.15 21.78 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.334 -0.854 . . . . 5.71 109.499 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 358' ' ' GLU . 3.2 Cg_exo -61.06 135.87 61.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.978 1.785 . . . . 5.61 110.204 179.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.952 -1.471 . . . . 7.24 109.574 179.944 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 3.2 mtmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.497 -0.557 . . . . 7.34 109.497 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 0.0 OUTLIER 80.86 -40.9 0.16 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.57 -0.706 . . . . 7.17 110.152 -179.808 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 59.99 99.89 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 120.871 -1.143 . . . . 6.44 109.526 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.04 127.37 23.98 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 122.119 1.879 . . . . 4.54 110.129 179.922 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 50.2 mt -80.7 124.0 28.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.911 . . . . 4.32 109.655 -179.964 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -81.65 6.15 16.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.25 -0.906 . . . . 2.47 109.755 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 151.13 52.13 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.684 -1.366 . . . . 0.95 109.684 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.23 132.89 55.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.378 -1.072 . . . . 1.61 109.712 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -94.47 157.87 15.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.19 -0.944 . . . . 0.57 109.374 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 97.3 m-85 -140.22 -174.94 4.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.201 -0.937 . . . . 0.53 109.447 -179.922 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.509 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 3.9 p -153.12 159.63 42.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.119 -0.988 . . . . 0.38 109.681 -179.737 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.5 tp -148.12 130.29 15.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.36 109.433 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 37.9 tt0 -87.16 130.95 34.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 1.36 109.667 -179.816 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.93 118.85 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.138 -0.976 . . . . 0.49 109.403 179.733 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' B' ' 334' ' ' GLY . 0.1 OUTLIER -74.18 136.41 42.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 2.1 109.68 179.907 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' B' ' 333' ' ' ARG . . . 103.09 129.89 6.8 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.916 -1.274 . . . . 0.44 109.916 179.659 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.507 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 55.6 ttt180 -74.77 -54.7 6.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.309 -1.113 . . . . 2.72 109.465 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.16 -45.84 86.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.285 -0.884 . . . . 2.21 109.476 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.7 OUTLIER -60.66 -41.86 95.86 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.287 -0.883 . . . . 2.79 109.251 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' D' ' 329' ' ' THR . 61.8 t80 -55.8 -55.92 26.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.603 -0.685 . . . . 0.45 109.903 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -49.86 -33.72 17.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.327 -0.858 . . . . 1.68 110.039 -179.535 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.81 -49.24 75.74 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.161 -0.962 . . . . 0.43 109.764 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 20.7 m-85 -61.65 -50.77 71.18 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.173 -0.955 . . . . 0.28 109.169 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.458 ' CG ' HH11 ' B' ' 342' ' ' ARG . 0.4 OUTLIER -50.65 -35.99 33.36 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.471 -0.768 . . . . 2.52 109.511 179.855 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.03 -48.69 80.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.168 -0.958 . . . . 1.75 109.514 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.16 -34.93 77.34 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.232 -0.917 . . . . 0.31 109.045 179.742 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.604 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.6 t-20 -59.35 -52.86 63.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.418 -0.802 . . . . 1.21 109.627 179.746 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.19 74.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.341 -0.849 . . . . 1.69 109.905 -179.591 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.89 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.47 -51.54 68.24 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.247 -0.908 . . . . 0.27 109.972 -179.569 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.2 mt -61.35 -43.55 98.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.3 109.75 -179.507 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.92 -38.54 82.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 1.93 109.801 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -64.77 -41.81 95.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.289 -0.882 . . . . 0.4 109.315 -179.722 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -40.39 94.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.426 -0.796 . . . . 1.59 108.946 179.566 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.83 -35.2 63.7 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.604 -0.685 . . . . 1.43 109.55 179.874 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -41.85 88.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.227 -0.921 . . . . 0.65 109.323 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.451 ' OE1' HD21 ' A' ' 350' ' ' LEU . 7.3 mt-30 -82.13 -5.59 58.55 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.354 -0.841 . . . . 1.19 109.55 179.803 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.45 -88.66 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.181 -0.949 . . . . 1.22 109.432 179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.42 97.87 2.04 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.555 -1.418 . . . . 1.53 109.555 179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -87.78 110.99 20.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.225 -1.162 . . . . 4.21 109.486 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.462 ' CG ' ' HD2' ' B' ' 359' ' ' PRO . 18.6 tt0 -50.39 138.07 21.69 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.225 -0.922 . . . . 5.68 109.453 -179.937 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' B' ' 358' ' ' GLU . 3.2 Cg_exo -60.98 135.79 61.45 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 122.066 1.844 . . . . 5.57 110.202 179.844 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 117.955 -1.469 . . . . 7.2 109.548 179.952 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 3.1 mtmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.476 -0.565 . . . . 8.96 109.476 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 0.0 OUTLIER 80.9 -40.96 0.16 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.465 -0.772 . . . . 8.15 110.149 -179.813 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 60.1 100.01 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 120.974 -1.079 . . . . 7.15 109.509 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -59.33 127.37 23.69 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.013 1.809 . . . . 4.35 110.132 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 50.0 mt -80.63 124.1 28.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.873 . . . . 4.63 109.624 -179.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -81.74 6.32 15.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 2.85 109.688 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.55 151.3 52.12 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.622 -1.391 . . . . 1.12 109.622 -179.826 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.4 132.91 55.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.385 -1.067 . . . . 2.11 109.674 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.85 15.82 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.898 . . . . 0.64 109.36 179.808 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.51 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.3 m-85 -140.25 -174.95 4.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.2 -0.938 . . . . 0.49 109.429 -179.916 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 3.9 p -153.08 159.76 42.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.073 -1.017 . . . . 0.47 109.736 -179.751 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.5 tp -148.22 130.27 15.39 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.384 -0.823 . . . . 0.42 109.349 -179.759 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 37.9 tt0 -87.05 131.05 34.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.303 -0.873 . . . . 1.81 109.654 -179.874 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' C' ' 341' ' ' PHE . 50.6 mt -124.02 118.86 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.186 -0.946 . . . . 0.42 109.416 179.654 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' C' ' 334' ' ' GLY . 0.1 OUTLIER -74.16 136.45 42.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.196 -0.94 . . . . 2.35 109.574 179.981 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.473 ' N ' ' HD3' ' C' ' 333' ' ' ARG . . . 103.14 129.87 6.79 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.929 -1.268 . . . . 0.41 109.929 179.679 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.509 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 55.7 ttt180 -74.89 -54.72 6.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.225 -1.162 . . . . 2.59 109.389 179.76 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.09 -45.89 86.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.376 -0.828 . . . . 2.54 109.484 -179.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.7 OUTLIER -60.76 -41.7 96.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.31 -0.869 . . . . 3.39 109.283 -179.965 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.522 ' CE1' ' O ' ' A' ' 329' ' ' THR . 61.8 t80 -55.98 -55.94 26.74 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.548 -0.72 . . . . 0.47 109.768 -179.943 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.83 -33.74 17.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 1.66 110.025 -179.545 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.4 ttp -62.86 -49.19 75.83 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.08 -1.013 . . . . 0.61 109.768 -179.711 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.553 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 21.1 m-85 -61.59 -50.76 71.31 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.255 -0.903 . . . . 0.33 109.235 179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.457 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.4 OUTLIER -50.62 -35.95 32.82 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.843 . . . . 3.28 109.614 179.778 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.14 -48.66 80.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 1.78 109.436 -179.914 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.07 -35.05 77.5 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.243 -0.911 . . . . 0.38 109.044 179.739 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.58 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.31 -52.87 63.79 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.493 -0.754 . . . . 1.2 109.649 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.78 -33.18 74.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.409 -0.807 . . . . 2.12 109.962 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.42 -51.59 68.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.26 110.005 -179.655 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.554 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.0 mt -61.33 -43.46 98.83 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.887 . . . . 0.4 109.803 -179.518 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -59.92 -38.62 82.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.948 . . . . 2.09 109.774 -179.921 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.698 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -64.82 -41.71 95.54 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.273 -0.892 . . . . 0.75 109.353 -179.711 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -40.4 94.85 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.351 -0.843 . . . . 2.19 108.923 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.83 -35.23 63.72 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.607 -0.683 . . . . 1.34 109.421 179.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.8 87.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.72 109.25 179.9 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' D' ' 350' ' ' LEU . 7.3 mt-30 -82.18 -5.51 58.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.387 -0.821 . . . . 1.8 109.56 179.84 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.51 -88.53 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.265 -0.897 . . . . 1.39 109.462 179.97 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.52 97.86 2.05 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.534 -1.426 . . . . 1.66 109.534 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -87.8 111.07 20.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.136 -1.214 . . . . 4.45 109.382 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' C' ' 359' ' ' PRO . 18.6 tt0 -50.42 138.16 21.76 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 6.19 109.469 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.05 135.84 61.51 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.0 1.8 . . . . 5.58 110.229 179.81 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.489 -1.444 . . . . 6.9 109.489 179.997 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 3.2 mtmt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.472 -0.566 . . . . 7.36 109.472 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 0.0 OUTLIER 80.81 -40.86 0.17 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.456 -0.777 . . . . 7.15 110.197 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 60.06 99.97 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 120.943 -1.098 . . . . 6.5 109.505 179.754 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.28 127.41 23.9 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 121.941 1.761 . . . . 4.5 110.187 -179.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 50.0 mt -80.65 124.04 28.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -0.896 . . . . 4.32 109.668 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -81.72 6.35 15.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 2.46 109.758 -179.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.62 151.28 52.07 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.661 -1.376 . . . . 0.97 109.661 -179.774 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.3 132.88 55.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.424 -1.045 . . . . 1.67 109.638 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -94.49 157.86 15.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.093 -1.004 . . . . 0.61 109.34 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.507 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 97.5 m-85 -140.31 -174.91 4.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.197 -0.94 . . . . 0.56 109.432 -179.936 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.524 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 3.9 p -153.03 159.73 42.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.103 -0.998 . . . . 0.43 109.621 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.604 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -148.22 130.21 15.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.327 -0.858 . . . . 0.35 109.463 -179.89 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 37.9 tt0 -87.1 130.89 34.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.911 . . . . 1.37 109.658 -179.799 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' D' ' 341' ' ' PHE . 50.5 mt -123.91 118.82 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 0.48 109.451 179.694 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' D' ' 334' ' ' GLY . 0.1 OUTLIER -74.06 136.32 43.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.081 -1.012 . . . . 2.08 109.61 179.979 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HD3' ' D' ' 333' ' ' ARG . . . 103.17 130.01 6.83 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 109.839 -1.304 . . . . 0.4 109.839 179.611 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.546 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 55.7 ttt180 -75.0 -54.52 7.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -1.126 . . . . 2.64 109.525 179.778 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.27 -45.84 87.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.384 -0.822 . . . . 2.22 109.491 179.906 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.512 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.7 OUTLIER -60.64 -41.81 95.67 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.236 -0.915 . . . . 2.74 109.255 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.509 ' CE1' ' O ' ' B' ' 329' ' ' THR . 61.6 t80 -55.94 -55.93 26.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.586 -0.696 . . . . 0.43 109.811 -179.875 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -49.76 -33.8 17.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.262 -0.899 . . . . 1.69 110.041 -179.567 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttp -62.75 -49.16 76.1 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.136 -0.978 . . . . 0.43 109.818 -179.648 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.8 m-85 -61.74 -50.68 71.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.198 -0.939 . . . . 0.27 109.145 -179.967 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.463 ' NH1' ' CG ' ' D' ' 342' ' ' ARG . 0.4 OUTLIER -50.69 -35.91 33.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.44 -0.787 . . . . 2.45 109.519 179.89 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.19 -48.58 81.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.165 -0.959 . . . . 1.75 109.454 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.01 -35.2 77.83 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.202 -0.936 . . . . 0.31 109.004 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.614 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.6 t-20 -59.45 -52.77 64.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.423 -0.798 . . . . 1.22 109.621 179.858 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.84 -33.06 74.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.358 -0.839 . . . . 1.73 109.947 -179.662 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.886 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.5 -51.56 68.14 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.28 109.981 -179.654 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.6 mt -61.31 -43.53 98.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.31 -0.869 . . . . 0.31 109.837 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -59.9 -38.56 82.64 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.354 -0.842 . . . . 1.91 109.794 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.686 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -64.76 -41.78 95.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.297 -0.877 . . . . 0.43 109.267 -179.689 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.3 OUTLIER -61.69 -40.43 94.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.381 -0.824 . . . . 1.57 108.996 179.562 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.85 -35.09 63.64 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.585 -0.697 . . . . 1.44 109.532 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.89 87.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 0.64 109.234 179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.489 ' OE1' HD21 ' C' ' 350' ' ' LEU . 7.3 mt-30 -82.03 -5.7 58.57 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.867 . . . . 1.21 109.48 179.832 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.4 -88.7 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.175 -0.953 . . . . 1.22 109.445 -179.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.36 97.82 2.03 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.553 -1.419 . . . . 1.5 109.553 179.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -87.79 111.02 20.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.263 -1.14 . . . . 4.18 109.457 179.864 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.45 ' CG ' ' HD2' ' D' ' 359' ' ' PRO . 18.6 tt0 -50.4 138.14 21.69 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.307 -0.871 . . . . 5.67 109.421 -179.933 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.45 ' HD2' ' CG ' ' D' ' 358' ' ' GLU . 3.2 Cg_exo -61.03 135.8 61.33 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 122.008 1.805 . . . . 5.65 110.199 179.826 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.899 -1.5 . . . . 7.27 109.572 179.936 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.258 0.551 . . . . 7.33 109.519 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt 63.68 139.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 7.21 109.436 179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.24 147.68 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.237 -0.914 . . . . 6.47 109.443 179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.55 -154.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.067 1.845 . . . . 4.53 110.255 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 131.64 35.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.873 . . . . 4.35 109.472 -179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.63 -128.91 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.241 -0.912 . . . . 2.48 109.173 179.772 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.78 155.81 52.82 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.379 -1.489 . . . . 0.98 109.379 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.01 140.31 52.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -1.199 . . . . 1.7 109.507 -179.72 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 327' ' ' TYR . 25.1 m-85 -93.34 154.58 17.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.217 -0.927 . . . . 0.61 109.307 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.2 m-85 -139.34 -168.92 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.173 -0.954 . . . . 0.58 109.734 -179.708 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 16.5 p -153.15 157.75 40.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.302 -0.874 . . . . 0.42 109.295 -179.858 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -149.41 136.08 19.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.291 -0.881 . . . . 0.36 109.52 -179.729 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -85.84 130.79 34.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.247 -0.908 . . . . 1.37 109.365 -179.996 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.4 mt -123.86 112.49 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.47 109.557 179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.3 41.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 2.1 109.471 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.75 138.28 8.01 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.755 -1.338 . . . . 0.42 109.755 179.838 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 31.5 ttm180 -80.7 -58.48 3.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.351 -1.088 . . . . 2.68 109.47 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.72 -43.68 85.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 2.22 109.452 179.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -60.42 -43.5 96.68 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.3 -0.875 . . . . 2.77 109.302 179.9 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.492 ' HD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -55.35 -56.4 20.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.302 -0.874 . . . . 0.43 109.546 179.897 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.44 -34.98 37.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.29 -0.881 . . . . 1.66 110.001 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.93 -48.65 77.99 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.072 -1.018 . . . . 0.44 109.95 -179.495 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.506 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.1 m-85 -61.31 -46.47 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.185 -0.947 . . . . 0.29 109.152 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -41.51 63.68 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 2.44 109.736 179.805 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.38 81.87 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.249 -0.907 . . . . 1.74 110.051 -179.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' B' ' 344' ' ' LEU . 46.1 mt -61.61 -34.12 75.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.986 . . . . 0.3 108.925 179.9 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.552 ' HB2' HD21 ' C' ' 330' ' ' LEU . 25.9 t-20 -59.77 -57.74 11.6 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.398 -0.814 . . . . 1.22 109.432 179.715 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.61 -27.42 69.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.431 -0.793 . . . . 1.72 109.891 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -52.95 63.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.931 . . . . 0.27 109.811 -179.667 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.44 -38.52 87.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.29 109.437 -179.837 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.21 -38.06 82.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 1.91 109.667 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' B' ' 351' ' ' LYS . 9.8 tp -63.69 -46.52 85.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.41 109.609 -179.805 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.407 ' HE3' ' HG3' ' B' ' 346' ' ' GLU . 12.1 ttmm -61.3 -36.16 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.343 -0.848 . . . . 1.56 109.039 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -56.82 -35.99 69.44 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.537 -0.727 . . . . 1.43 109.757 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.78 -49.89 64.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.363 -0.835 . . . . 0.66 109.591 -179.847 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.442 ' NE2' HD21 ' B' ' 350' ' ' LEU . 19.0 mt-30 -81.13 0.62 35.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.18 109.728 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.98 -82.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.945 . . . . 1.23 109.778 -179.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.34 74.79 2.44 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.804 -1.318 . . . . 1.54 109.804 -179.745 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -87.69 130.71 34.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.214 -1.168 . . . . 4.18 109.553 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -49.88 110.84 1.77 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 5.71 109.522 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -59.97 139.27 87.05 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.949 1.766 . . . . 5.61 110.446 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 CA-C-O 117.987 -1.452 . . . . 7.24 109.562 179.955 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.279 0.561 . . . . 7.34 109.488 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.63 139.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 7.17 109.557 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 63.22 147.68 0.09 OUTLIER Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.347 -0.846 . . . . 6.44 109.425 -179.896 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.51 -154.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.075 1.85 . . . . 4.54 110.235 179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 131.61 35.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 4.32 109.474 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -79.83 -129.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 2.47 108.925 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.98 155.77 52.31 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.357 -1.497 . . . . 0.95 109.357 179.875 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.05 140.32 52.76 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.147 -1.208 . . . . 1.61 109.514 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 25.7 m-85 -93.4 154.75 17.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.206 -0.934 . . . . 0.57 109.315 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.3 m-85 -139.45 -169.0 2.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.256 -0.902 . . . . 0.53 109.717 -179.664 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.408 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 16.5 p -153.18 157.66 40.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.38 109.365 -179.899 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.9 tp -149.24 136.12 19.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.36 109.573 -179.628 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.89 130.66 34.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 1.36 109.455 179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.2 mt -123.73 112.49 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.49 109.578 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.3 151.31 41.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 2.1 109.433 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.1 7.94 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.756 -1.338 . . . . 0.44 109.756 179.851 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.511 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.5 ttm180 -80.46 -58.44 3.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -1.088 . . . . 2.72 109.642 179.919 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.82 -43.57 85.84 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 2.21 109.51 179.924 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.405 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 4.2 ttm180 -60.38 -43.58 96.47 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.237 -0.914 . . . . 2.79 109.385 179.824 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' B' ' 332' ' ' ILE . 40.8 t80 -55.3 -56.41 20.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.45 109.579 179.899 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -51.37 -34.99 36.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.312 -0.868 . . . . 1.68 110.006 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.97 -48.68 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.099 -1.001 . . . . 0.43 109.943 -179.48 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.502 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.8 m-85 -61.29 -46.38 90.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.116 -0.99 . . . . 0.28 109.21 -179.922 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -41.4 63.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.429 -0.794 . . . . 2.52 109.792 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.54 -48.32 82.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.184 -0.948 . . . . 1.75 109.943 -179.532 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.031 HD22 HD22 ' A' ' 344' ' ' LEU . 46.3 mt -61.72 -34.02 75.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.091 -1.006 . . . . 0.31 108.979 179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.543 ' HB2' HD21 ' D' ' 330' ' ' LEU . 26.0 t-20 -59.7 -57.71 11.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.434 -0.791 . . . . 1.21 109.494 179.61 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.407 ' HG3' ' HE3' ' A' ' 351' ' ' LYS . 12.7 pt-20 -62.7 -27.38 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 1.69 109.848 -179.771 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.516 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.84 -53.12 61.67 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.169 -0.957 . . . . 0.27 109.763 -179.652 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 62.4 mt -61.43 -38.5 87.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.299 -0.876 . . . . 0.3 109.384 -179.744 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.15 -38.01 81.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 1.93 109.695 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.442 HD21 ' NE2' ' A' ' 354' ' ' GLN . 9.7 tp -63.75 -46.55 84.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.349 -0.844 . . . . 0.4 109.527 -179.765 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.1 ttmm -61.3 -36.18 79.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.463 -0.773 . . . . 1.59 109.084 179.846 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -56.7 -36.11 69.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.551 -0.718 . . . . 1.43 109.731 179.834 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -50.02 64.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.65 109.579 -179.761 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -81.06 0.77 34.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.248 -0.908 . . . . 1.19 109.73 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.17 -82.37 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.112 -0.993 . . . . 1.22 109.753 -179.877 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.34 74.85 2.43 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.766 -1.334 . . . . 1.53 109.766 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.69 130.79 34.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -1.162 . . . . 4.21 109.555 179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -50.0 110.84 1.79 Allowed Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.288 -0.882 . . . . 5.68 109.455 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -59.97 139.35 87.45 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.969 1.779 . . . . 5.57 110.343 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 118.006 -1.441 . . . . 7.2 109.508 179.969 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.298 0.57 . . . . 8.96 109.483 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.66 139.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.221 -0.924 . . . . 8.15 109.452 -179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt 63.25 147.66 0.09 OUTLIER Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.367 -0.833 . . . . 7.15 109.407 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.47 -154.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.113 1.875 . . . . 4.35 110.301 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 131.67 35.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.264 -0.897 . . . . 4.63 109.486 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.7 -129.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 2.85 109.026 179.824 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.55 155.84 52.67 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.333 -1.507 . . . . 1.12 109.333 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -58.01 140.28 52.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.242 -1.152 . . . . 2.11 109.443 -179.792 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 25.2 m-85 -93.34 154.76 17.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.108 -0.995 . . . . 0.64 109.32 179.877 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.3 m-85 -139.5 -169.02 2.59 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.246 -0.909 . . . . 0.49 109.812 -179.684 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 16.6 p -153.11 157.72 40.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.47 109.316 -179.832 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 345' ' ' ASN . 23.7 tp -149.36 136.1 19.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.202 -0.936 . . . . 0.42 109.565 -179.709 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -85.87 130.79 34.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 1.81 109.41 179.994 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.509 HD13 ' HB2' ' C' ' 341' ' ' PHE . 31.5 mt -123.87 112.46 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.195 -0.941 . . . . 0.42 109.441 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.21 151.27 41.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.413 -0.804 . . . . 2.35 109.527 179.767 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.7 138.08 7.89 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.764 -1.334 . . . . 0.41 109.764 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.443 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 31.5 ttm180 -80.47 -58.44 3.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -1.107 . . . . 2.59 109.545 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.71 -43.66 85.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.357 -0.839 . . . . 2.54 109.437 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -60.42 -43.53 96.65 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.242 -0.911 . . . . 3.39 109.287 179.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.495 ' CD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -55.45 -56.25 22.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.476 -0.765 . . . . 0.47 109.547 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -51.46 -35.0 37.85 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.335 -0.853 . . . . 1.66 109.964 -179.846 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.86 -48.86 77.21 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.039 -1.038 . . . . 0.61 109.846 -179.436 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.509 ' HB2' HD13 ' C' ' 332' ' ' ILE . 21.0 m-85 -61.18 -46.47 90.37 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.186 -0.946 . . . . 0.33 109.193 -179.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -41.46 63.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.412 -0.805 . . . . 3.28 109.71 179.873 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.47 -48.35 81.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.207 -0.933 . . . . 1.78 110.037 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' D' ' 344' ' ' LEU . 45.7 mt -61.59 -34.09 75.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.091 -1.005 . . . . 0.38 109.055 179.847 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.514 ' HB2' HD21 ' A' ' 330' ' ' LEU . 25.9 t-20 -59.63 -57.7 11.79 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.504 -0.747 . . . . 1.2 109.504 179.606 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.71 -27.37 69.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.537 -0.727 . . . . 2.12 109.872 -179.711 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.93 -53.04 62.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.138 -0.976 . . . . 0.26 109.78 -179.589 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 62.8 mt -61.36 -38.58 87.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -0.927 . . . . 0.4 109.419 -179.824 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.22 -37.92 81.79 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -0.878 . . . . 2.09 109.667 179.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.74 -46.57 84.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.874 . . . . 0.75 109.627 -179.835 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -61.16 -36.21 79.2 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.359 -0.838 . . . . 2.19 109.146 179.744 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -56.86 -36.03 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 1.34 109.712 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.64 -50.0 64.39 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.277 -0.889 . . . . 0.72 109.571 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -81.12 0.64 35.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.399 -0.813 . . . . 1.8 109.695 -179.975 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.04 -82.52 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 1.39 109.711 -179.899 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.25 74.72 2.45 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.794 -1.322 . . . . 1.66 109.794 -179.693 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.67 130.73 34.69 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -1.146 . . . . 4.45 109.553 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -50.01 110.91 1.81 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.312 -0.868 . . . . 6.19 109.447 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.06 139.25 86.66 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 121.919 1.746 . . . . 5.58 110.381 -179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 CA-C-O 117.937 -1.48 . . . . 6.9 109.523 179.965 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.443 -0.577 . . . . 7.36 109.443 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt 63.5 139.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.286 -0.884 . . . . 7.15 109.572 -179.87 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt 63.21 147.73 0.09 OUTLIER Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.3 -0.875 . . . . 6.5 109.424 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.55 -154.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.065 1.843 . . . . 4.5 110.258 -179.983 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.99 131.55 35.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.893 . . . . 4.32 109.557 179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -79.65 -129.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 2.46 109.083 179.793 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.5 155.76 52.67 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.43 -1.468 . . . . 0.97 109.43 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -57.98 140.35 52.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 1.67 109.516 -179.787 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 25.2 m-85 -93.37 154.67 17.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.61 109.35 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 78.1 m-85 -139.39 -169.03 2.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.214 -0.929 . . . . 0.56 109.718 -179.65 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.405 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 16.5 p -153.18 157.7 40.68 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.283 -0.886 . . . . 0.43 109.216 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 345' ' ' ASN . 24.0 tp -149.24 136.17 19.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.169 -0.957 . . . . 0.35 109.576 -179.74 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.97 130.8 34.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -0.826 . . . . 1.37 109.358 179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.8 mt -123.84 112.54 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.48 109.511 179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -73.19 151.27 41.55 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.259 -0.901 . . . . 2.08 109.474 179.896 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.78 138.2 7.99 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.74 -1.344 . . . . 0.4 109.74 179.753 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 31.5 ttm180 -80.61 -58.55 3.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.309 -1.112 . . . . 2.64 109.518 -179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.68 -43.68 85.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 2.22 109.504 179.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.497 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 4.3 ttm180 -60.32 -43.55 96.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.257 -0.902 . . . . 2.74 109.333 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' D' ' 332' ' ' ILE . 40.4 t80 -55.41 -56.34 21.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.439 -0.788 . . . . 0.43 109.482 -179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -51.52 -34.84 37.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.353 -0.842 . . . . 1.69 109.994 -179.731 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -62.91 -48.88 77.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.063 -1.023 . . . . 0.43 109.893 -179.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.1 m-85 -61.19 -46.4 90.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.936 . . . . 0.27 109.205 -179.907 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -41.49 63.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.402 -0.811 . . . . 2.45 109.775 179.844 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.41 -48.35 81.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 1.75 110.035 -179.57 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.011 HD22 HD22 ' C' ' 344' ' ' LEU . 46.1 mt -61.69 -34.01 75.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.245 -0.91 . . . . 0.31 109.013 179.845 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.582 ' HB2' HD21 ' B' ' 330' ' ' LEU . 25.9 t-20 -59.69 -57.74 11.63 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.4 -0.813 . . . . 1.22 109.514 179.601 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.67 -27.3 69.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.425 -0.797 . . . . 1.73 109.92 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.01 62.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.226 -0.921 . . . . 0.28 109.717 -179.605 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 62.2 mt -61.39 -38.61 87.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.272 -0.893 . . . . 0.31 109.384 -179.799 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -37.95 81.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.91 109.749 179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 tp -63.83 -46.48 84.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.43 109.566 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -61.31 -36.14 79.29 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 1.57 109.105 179.808 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.76 -36.09 69.41 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.577 -0.702 . . . . 1.44 109.801 179.796 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.6 -49.98 64.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.214 -0.929 . . . . 0.64 109.668 -179.882 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -81.11 0.7 34.96 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.362 -0.836 . . . . 1.21 109.615 -179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.15 -82.35 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.205 -0.934 . . . . 1.22 109.778 -179.862 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.42 74.86 2.44 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.772 -1.331 . . . . 1.5 109.772 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -87.72 130.71 34.73 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -1.169 . . . . 4.18 109.517 179.865 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -49.83 110.72 1.72 Allowed Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 5.67 109.54 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.86 139.22 87.19 Favored 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.018 1.812 . . . . 5.65 110.366 179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.062 -1.41 . . . . 7.27 109.587 179.881 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.446 -0.576 . . . . 7.33 109.446 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 321' ' ' LYS . 36.1 tttp 60.24 81.66 0.17 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -0.938 . . . . 7.21 109.376 -179.902 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.9 tttt 62.51 140.52 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.187 -0.946 . . . . 6.47 109.282 179.995 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.7 -10.94 29.91 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 121.867 1.712 . . . . 4.53 110.454 -179.774 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 323' ' ' LEU . 70.2 mt -84.45 97.37 9.49 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.131 -0.981 . . . . 4.35 109.515 179.731 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.13 113.1 20.82 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.3 -0.875 . . . . 2.48 109.65 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.588 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -69.05 153.4 52.87 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.862 -1.695 . . . . 0.98 108.862 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.46 120.78 11.17 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.257 . . . . 1.7 109.769 -179.642 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 80.7 m-85 -97.8 153.2 18.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -0.933 . . . . 0.61 109.386 179.6 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 64.3 m-85 -140.26 -175.19 4.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.58 109.275 179.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.44 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 8.5 p -152.65 162.61 41.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.086 -1.009 . . . . 0.42 109.557 -179.684 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' C' ' 345' ' ' ASN . 44.2 tp -149.42 133.78 17.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.328 -0.858 . . . . 0.36 109.457 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.51 130.53 34.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.227 -0.921 . . . . 1.37 109.483 -179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 338' ' ' PHE . 43.7 mt -123.86 111.98 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.218 -0.926 . . . . 0.47 109.454 179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.48 150.06 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.278 -0.889 . . . . 2.1 109.611 179.844 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.96 123.74 2.26 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.731 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.576 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -70.9 -50.44 34.92 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.29 -1.124 . . . . 2.68 109.734 179.997 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.91 -47.98 81.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.21 -0.931 . . . . 2.22 109.649 -179.806 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.05 -39.3 85.48 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.242 -0.912 . . . . 2.77 109.629 -179.756 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 332' ' ' ILE . 54.1 t80 -55.36 -53.15 59.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.357 -0.839 . . . . 0.43 109.699 -179.814 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.91 -37.36 43.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -0.862 . . . . 1.66 109.914 -179.583 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.67 -47.46 83.59 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.18 -0.95 . . . . 0.44 110.116 -179.436 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.84 -51.25 70.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.176 -0.952 . . . . 0.29 109.503 -179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -50.93 -35.22 32.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.377 -0.827 . . . . 2.44 109.823 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.08 -52.5 64.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.003 . . . . 1.74 110.027 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 72.8 mt -60.5 -34.62 74.34 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.105 -0.997 . . . . 0.3 109.17 -179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.492 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.3 t-20 -59.18 -52.42 65.77 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 1.22 109.472 179.483 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.24 -29.91 71.16 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.42 -0.8 . . . . 1.72 109.836 -179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.96 -55.94 24.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.241 -0.912 . . . . 0.27 109.962 -179.735 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.01 -42.18 97.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.29 109.614 -179.542 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.31 -36.86 76.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.257 -0.902 . . . . 1.91 109.691 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.787 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -66.11 -36.99 84.63 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.313 -0.867 . . . . 0.41 109.21 -179.873 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.483 ' HD3' HD12 ' B' ' 350' ' ' LEU . 1.1 tppp? -60.59 -46.66 89.42 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.699 -0.852 . . . . 1.56 108.699 179.565 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.99 -31.14 62.77 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.609 -0.682 . . . . 1.43 109.357 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.77 80.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 0.66 109.521 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.547 ' OE1' HD21 ' B' ' 350' ' ' LEU . 4.5 mt-30 -83.38 -13.52 54.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 1.18 109.372 179.972 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.2 -14.18 61.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.298 -0.876 . . . . 1.23 109.113 179.56 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 37.9 3.09 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.625 -1.39 . . . . 1.54 109.625 179.753 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.6 151.62 23.76 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.068 -1.254 . . . . 4.18 109.38 -179.877 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -49.35 131.7 17.77 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 5.71 109.556 -179.769 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.41 158.03 38.01 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.953 1.769 . . . . 5.61 110.316 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.569 -1.412 . . . . 7.24 109.569 179.99 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 21.5 tttt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.533 -0.543 . . . . 7.34 109.533 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 321' ' ' LYS . 36.0 tttp 60.26 81.55 0.18 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 7.17 109.459 -179.922 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.9 tttt 62.42 140.57 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.253 -0.905 . . . . 6.44 109.366 -179.83 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.76 -10.9 29.83 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.9 1.734 . . . . 4.54 110.424 -179.687 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 323' ' ' LEU . 69.9 mt -84.46 97.44 9.53 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.191 -0.943 . . . . 4.32 109.478 179.674 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -84.18 112.99 20.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.417 -0.802 . . . . 2.47 109.71 179.872 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.74 153.61 52.99 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 108.845 -1.702 . . . . 0.95 108.845 179.482 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.65 120.7 11.12 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.061 -1.258 . . . . 1.61 109.764 -179.758 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 80.8 m-85 -97.69 153.18 18.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.34 -0.85 . . . . 0.57 109.357 179.614 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 63.8 m-85 -140.26 -175.12 4.14 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.188 -0.945 . . . . 0.53 109.211 179.707 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.477 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 8.6 p -152.69 162.69 40.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.091 -1.006 . . . . 0.38 109.632 -179.777 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' D' ' 345' ' ' ASN . 44.0 tp -149.46 133.82 17.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.384 -0.823 . . . . 0.36 109.334 -179.889 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.61 130.5 34.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.36 109.488 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.523 HD12 ' CD1' ' B' ' 338' ' ' PHE . 43.3 mt -123.8 111.93 30.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.191 -0.943 . . . . 0.49 109.564 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.51 150.11 41.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 2.1 109.505 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.0 123.83 2.28 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.795 -1.322 . . . . 0.44 109.795 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -71.08 -50.47 33.41 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.363 -1.08 . . . . 2.72 109.66 179.938 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.78 -48.09 80.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.922 . . . . 2.21 109.631 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.19 -39.28 85.94 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.311 -0.868 . . . . 2.79 109.528 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.523 ' CD1' HD12 ' B' ' 332' ' ' ILE . 54.0 t80 -55.26 -53.26 58.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.269 -0.894 . . . . 0.45 109.728 -179.893 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.76 -37.45 42.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.398 -0.814 . . . . 1.68 109.921 -179.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.63 -47.42 83.83 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.166 -0.959 . . . . 0.43 110.12 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -60.91 -51.25 70.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.145 -0.972 . . . . 0.28 109.412 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.96 -35.27 32.69 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.337 -0.852 . . . . 2.52 109.755 179.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.06 -52.61 64.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 1.75 109.996 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 72.8 mt -60.44 -34.57 74.17 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.31 109.143 -179.905 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.496 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.2 t-20 -59.33 -52.31 66.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.394 -0.816 . . . . 1.21 109.406 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.35 -29.77 71.02 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.38 -0.825 . . . . 1.69 109.764 -179.723 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.824 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -62.09 -55.86 24.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.17 -0.956 . . . . 0.27 109.926 -179.708 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.05 -42.21 98.06 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.247 -0.908 . . . . 0.3 109.645 -179.571 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.28 -36.93 76.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 1.93 109.643 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.786 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -66.03 -37.06 84.93 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.268 -0.895 . . . . 0.4 109.128 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.533 ' HD3' HD12 ' A' ' 350' ' ' LEU . 1.1 tppp? -60.58 -46.74 89.1 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.653 -0.869 . . . . 1.59 108.653 179.604 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.9 -31.15 62.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.681 -0.637 . . . . 1.43 109.328 179.497 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.84 -35.68 80.6 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.27 -0.894 . . . . 0.65 109.558 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.558 ' OE1' HD21 ' A' ' 350' ' ' LEU . 4.5 mt-30 -83.23 -13.72 54.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 1.19 109.415 179.827 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.22 -14.07 61.27 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.205 -0.935 . . . . 1.22 109.193 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.17 37.96 3.09 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.616 -1.394 . . . . 1.53 109.616 179.7 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.59 151.61 23.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.137 -1.214 . . . . 4.21 109.438 -179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -49.5 131.58 18.92 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.071 -1.018 . . . . 5.68 109.466 -179.618 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.2 157.89 37.72 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.991 1.794 . . . . 5.57 110.282 179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.957 -1.469 . . . . 7.2 109.536 179.913 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.53 -0.545 . . . . 8.96 109.53 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 321' ' ' LYS . 36.3 tttp 60.19 81.66 0.17 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.199 -0.938 . . . . 8.15 109.379 -179.934 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.9 tttt 62.54 140.47 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 7.15 109.317 -179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.6 -11.13 30.5 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 121.975 1.784 . . . . 4.35 110.396 -179.772 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' C' ' 323' ' ' LEU . 69.6 mt -84.35 97.45 9.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.158 -0.964 . . . . 4.63 109.421 179.776 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.2 113.07 20.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.329 -0.857 . . . . 2.85 109.576 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.86 153.64 53.01 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.881 -1.688 . . . . 1.12 108.881 179.409 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.61 120.75 11.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.019 -1.283 . . . . 2.11 109.79 -179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 81.1 m-85 -97.71 153.23 18.38 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.321 -0.862 . . . . 0.64 109.347 179.588 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 64.2 m-85 -140.35 -175.22 4.18 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.223 -0.923 . . . . 0.49 109.298 179.745 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 8.5 p -152.7 162.7 40.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.47 109.558 -179.691 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 345' ' ' ASN . 43.8 tp -149.51 133.76 17.33 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.305 -0.872 . . . . 0.42 109.412 -179.926 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.57 130.49 34.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.176 -0.952 . . . . 1.81 109.509 -179.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' C' ' 338' ' ' PHE . 43.9 mt -123.8 112.05 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.42 109.529 179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -73.54 150.11 41.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.883 . . . . 2.35 109.531 179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.98 123.95 2.3 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.772 -1.331 . . . . 0.41 109.772 179.763 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.563 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -71.19 -50.47 32.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.291 -1.123 . . . . 2.59 109.575 -179.97 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -57.93 -47.75 81.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 2.54 109.701 -179.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.34 -39.23 86.37 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.348 -0.845 . . . . 3.39 109.535 -179.743 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.7 t80 -55.48 -53.05 61.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.374 -0.829 . . . . 0.47 109.719 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.85 -37.5 43.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 1.66 109.877 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.5 ttp -62.65 -47.45 83.65 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.181 -0.949 . . . . 0.61 110.049 -179.339 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -60.81 -51.32 69.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.168 -0.958 . . . . 0.33 109.458 -179.81 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -50.87 -35.32 32.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -0.895 . . . . 3.28 109.755 179.93 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.97 -52.58 64.42 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.12 -0.988 . . . . 1.78 109.993 -179.6 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' D' ' 344' ' ' LEU . 72.3 mt -60.54 -34.55 74.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.188 -0.945 . . . . 0.38 109.101 -179.787 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.26 -52.41 65.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.344 -0.848 . . . . 1.2 109.454 179.568 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.18 -29.85 71.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 2.12 109.848 -179.871 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -62.06 -55.86 24.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.293 -0.879 . . . . 0.26 109.946 -179.679 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.03 -42.15 97.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.356 -0.84 . . . . 0.4 109.666 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.36 -36.91 76.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 2.09 109.616 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.769 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -66.04 -36.99 84.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.305 -0.872 . . . . 0.75 109.16 -179.848 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.621 ' HD3' HD12 ' D' ' 350' ' ' LEU . 1.1 tppp? -60.64 -46.68 89.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.745 -0.835 . . . . 2.19 108.745 179.551 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.93 -31.2 62.71 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.605 -0.684 . . . . 1.34 109.398 179.415 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.85 81.2 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.374 -0.829 . . . . 0.72 109.583 -179.894 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.568 ' OE1' HD21 ' D' ' 350' ' ' LEU . 4.5 mt-30 -83.29 -13.55 54.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 1.8 109.398 179.897 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.22 -14.09 61.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.218 -0.926 . . . . 1.39 109.17 179.607 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.8 3.09 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.665 -1.374 . . . . 1.66 109.665 179.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.62 151.68 23.71 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.113 -1.228 . . . . 4.45 109.394 -179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.35 131.71 17.8 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.209 -0.932 . . . . 6.19 109.491 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.41 158.03 38.05 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.002 1.802 . . . . 5.58 110.202 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.534 -1.427 . . . . 6.9 109.534 179.875 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.433 -0.58 . . . . 7.36 109.433 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 321' ' ' LYS . 36.2 tttp 60.16 81.62 0.17 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.223 -0.923 . . . . 7.15 109.382 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.9 tttt 62.55 140.52 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.906 . . . . 6.5 109.292 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.73 -11.02 30.26 Favored 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.965 1.777 . . . . 4.5 110.333 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' D' ' 323' ' ' LEU . 69.9 mt -84.38 97.34 9.43 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.12 -0.987 . . . . 4.32 109.438 179.822 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -84.26 113.09 20.86 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.331 -0.855 . . . . 2.46 109.589 179.981 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.582 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.95 153.53 52.97 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 108.805 -1.718 . . . . 0.97 108.805 179.491 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.49 120.7 11.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.034 -1.274 . . . . 1.67 109.751 -179.725 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 80.7 m-85 -97.71 153.25 18.37 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.189 -0.945 . . . . 0.61 109.391 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 63.9 m-85 -140.44 -175.19 4.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.15 -0.969 . . . . 0.56 109.179 179.77 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.498 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 9.0 p -152.67 162.64 40.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.125 -0.984 . . . . 0.43 109.678 -179.642 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' B' ' 345' ' ' ASN . 43.8 tp -149.46 133.81 17.44 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.35 109.349 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.56 130.6 34.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.258 -0.901 . . . . 1.37 109.505 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' D' ' 338' ' ' PHE . 43.5 mt -123.94 112.01 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.18 -0.95 . . . . 0.48 109.435 -179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -73.5 149.94 41.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 2.08 109.545 179.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.14 123.77 2.31 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.694 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -70.96 -50.49 33.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.305 -1.115 . . . . 2.64 109.635 179.969 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -57.94 -47.79 81.85 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.281 -0.887 . . . . 2.22 109.719 -179.74 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -60.25 -39.26 86.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.262 -0.899 . . . . 2.74 109.616 -179.863 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.52 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.5 t80 -55.39 -53.15 59.77 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.43 109.712 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.79 -37.46 42.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.27 -0.894 . . . . 1.69 109.925 -179.653 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -62.61 -47.37 84.06 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.3 -0.875 . . . . 0.43 110.13 -179.358 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -60.99 -51.16 70.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.135 -0.978 . . . . 0.27 109.416 -179.766 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -51.06 -35.24 33.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.84 . . . . 2.45 109.73 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.94 -52.72 63.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 1.75 109.978 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.853 HD22 HD22 ' C' ' 344' ' ' LEU . 72.4 mt -60.37 -34.67 74.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.162 -0.961 . . . . 0.31 109.172 -179.881 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.457 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.3 t-20 -59.26 -52.3 66.28 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.326 -0.859 . . . . 1.22 109.426 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.31 -29.89 71.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.73 109.802 -179.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.98 -55.9 24.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.188 -0.945 . . . . 0.28 109.953 -179.672 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.11 -42.18 98.05 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.223 -0.923 . . . . 0.31 109.523 -179.462 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -59.38 -36.89 76.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.32 -0.862 . . . . 1.91 109.632 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.774 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -66.04 -36.97 84.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.43 109.231 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.488 ' HD3' HD12 ' C' ' 350' ' ' LEU . 1.1 tppp? -60.54 -46.77 88.96 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.694 -0.854 . . . . 1.57 108.694 179.47 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.91 -31.25 62.7 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.604 -0.685 . . . . 1.44 109.319 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.72 80.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.309 -0.87 . . . . 0.64 109.524 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.614 ' OE1' HD21 ' C' ' 350' ' ' LEU . 4.5 mt-30 -83.31 -13.64 54.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 1.21 109.407 179.953 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.21 -14.14 61.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 1.22 109.102 179.664 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.95 3.09 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.645 -1.382 . . . . 1.5 109.645 179.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 151.63 23.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -1.155 . . . . 4.18 109.339 -179.855 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -49.48 131.74 18.71 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.242 -0.911 . . . . 5.67 109.53 -179.687 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.28 157.99 37.63 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.097 1.865 . . . . 5.65 110.257 179.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.538 -1.425 . . . . 7.27 109.538 179.869 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.404 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 2.2 mmmt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.4 -0.592 . . . . 7.33 109.4 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.61 33.3 20.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.218 -0.927 . . . . 7.21 109.543 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 58.49 84.74 0.2 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.242 -0.911 . . . . 6.47 109.682 179.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 319' ' ' LYS . 1.8 Cg_endo -68.63 -1.07 6.87 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.159 1.906 . . . . 4.53 110.807 179.912 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 323' ' ' LEU . 14.1 mt -85.15 46.61 1.3 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.036 -1.04 . . . . 4.35 109.698 179.981 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -81.12 -79.52 0.16 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.329 -0.857 . . . . 2.48 109.857 -179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.89 145.8 43.89 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.855 -1.298 . . . . 0.98 109.855 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -61.61 138.31 58.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.369 -1.077 . . . . 1.7 109.542 179.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 9.4 m-85 -96.05 160.78 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.334 -0.854 . . . . 0.61 109.656 179.924 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' ' 329' ' ' THR . 97.5 m-85 -137.8 -169.53 2.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.105 -0.997 . . . . 0.58 109.424 179.97 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.523 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 22.0 p -154.17 154.48 33.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.165 -0.96 . . . . 0.42 109.498 -179.829 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' C' ' 345' ' ' ASN . 21.1 tp -146.8 133.95 20.47 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.36 109.588 -179.831 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -86.67 129.5 34.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.805 . . . . 1.37 109.747 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.714 HD13 ' HB2' ' A' ' 341' ' ' PHE . 31.1 mt -124.12 109.63 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.248 -0.908 . . . . 0.47 109.388 179.68 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.54 ' HD2' ' CZ ' ' C' ' 327' ' ' TYR . 1.9 ttt-85 -73.24 153.82 40.47 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.333 -0.855 . . . . 2.1 109.689 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.64 133.6 6.41 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.703 -1.359 . . . . 0.42 109.703 179.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 18.1 ttm180 -68.84 -57.62 5.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.43 -1.041 . . . . 2.68 109.496 179.846 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.43 -39.88 81.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.348 -0.845 . . . . 2.22 109.613 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.438 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -58.12 -48.34 80.5 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.209 -0.932 . . . . 2.77 109.949 -179.761 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' C' ' 329' ' ' THR . 19.1 t80 -55.1 -60.19 3.72 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.41 -0.806 . . . . 0.43 109.807 -179.853 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.46 -34.12 23.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.246 -0.909 . . . . 1.66 110.065 -179.69 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.24 -51.49 63.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.117 -0.99 . . . . 0.44 110.248 -179.314 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.714 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.9 m-85 -61.56 -54.67 39.98 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.141 -0.975 . . . . 0.29 109.346 -179.733 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.96 -34.08 19.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.45 -0.781 . . . . 2.44 109.53 179.826 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.81 -51.45 69.26 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 1.74 109.747 -179.879 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' B' ' 344' ' ' LEU . 64.5 mt -60.99 -34.46 74.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.148 -0.97 . . . . 0.3 109.141 179.766 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.554 ' HB2' HD21 ' C' ' 330' ' ' LEU . 10.5 t-20 -59.19 -53.84 53.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.456 -0.778 . . . . 1.22 109.61 179.72 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.61 -31.1 72.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.414 -0.804 . . . . 1.72 109.995 -179.763 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.09 -55.77 28.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.24 -0.912 . . . . 0.27 109.942 -179.715 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 29.6 mt -61.06 -43.55 98.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.887 . . . . 0.29 109.627 -179.689 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.46 -33.33 71.15 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.233 -0.917 . . . . 1.91 109.478 179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.727 HD21 HE21 ' B' ' 354' ' ' GLN . 10.4 tp -65.15 -44.53 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.256 -0.902 . . . . 0.41 109.206 179.914 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.55 -48.84 79.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.479 -0.763 . . . . 1.56 109.147 179.689 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.79 -33.29 66.52 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.566 -0.709 . . . . 1.43 109.734 179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.72 82.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.66 109.702 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.765 HE21 HD21 ' B' ' 350' ' ' LEU . 12.5 mt-30 -82.21 -9.04 59.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.24 -0.912 . . . . 1.18 109.59 -179.852 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.12 -22.68 61.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.128 -0.982 . . . . 1.23 109.164 179.748 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 17.17 37.51 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.84 -1.304 . . . . 1.54 109.84 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -85.11 138.67 32.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.19 -1.183 . . . . 4.18 109.613 -179.868 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -49.94 123.41 15.43 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.35 -0.844 . . . . 5.71 109.535 -179.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.78 133.72 46.5 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.042 1.828 . . . . 5.61 110.247 179.91 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 CA-C-O 118.051 -1.416 . . . . 7.24 109.592 179.889 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.411 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 2.3 mmmt . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.336 0.589 . . . . 7.34 109.512 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.71 33.31 20.23 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 7.17 109.511 179.923 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 35.4 mttm 58.45 84.84 0.2 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 6.44 109.66 179.936 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' B' ' 319' ' ' LYS . 1.9 Cg_endo -68.78 -0.92 6.77 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.223 1.949 . . . . 4.54 110.76 179.901 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' B' ' 323' ' ' LEU . 14.0 mt -85.33 46.59 1.31 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.961 -1.087 . . . . 4.32 109.696 179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -81.14 -79.61 0.16 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.355 -0.841 . . . . 2.47 109.88 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.55 145.92 44.66 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.963 -1.255 . . . . 0.95 109.963 -179.652 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.86 138.41 58.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -1.069 . . . . 1.61 109.48 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -96.11 160.72 14.3 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.206 -0.934 . . . . 0.57 109.558 179.924 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 97.5 m-85 -137.76 -169.41 2.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.948 . . . . 0.53 109.44 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.516 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 22.2 p -154.18 154.63 33.86 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.17 -0.956 . . . . 0.38 109.517 -179.867 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.6 tp -146.96 133.9 20.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.36 109.627 -179.814 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 28.8 tt0 -86.72 129.41 34.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.461 -0.774 . . . . 1.36 109.712 -179.716 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' B' ' 341' ' ' PHE . 31.1 mt -123.98 109.69 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.49 109.386 179.701 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.504 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.9 ttt-85 -73.38 153.64 40.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.17 -0.956 . . . . 2.1 109.696 -179.888 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.67 133.47 6.37 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.843 -1.303 . . . . 0.44 109.843 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.73 -57.62 5.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -1.092 . . . . 2.72 109.518 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.27 -40.07 80.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.292 -0.88 . . . . 2.21 109.564 -179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.441 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -58.01 -48.47 79.94 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.266 -0.896 . . . . 2.79 109.913 -179.701 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 19.3 t80 -55.09 -60.09 3.85 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.37 -0.831 . . . . 0.45 109.783 -179.753 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.45 -34.26 24.11 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.68 110.009 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.21 -51.45 63.65 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.243 -0.91 . . . . 0.43 110.301 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.715 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.7 m-85 -61.55 -54.76 38.87 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.136 -0.977 . . . . 0.28 109.334 -179.744 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -49.76 -34.19 18.52 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -0.827 . . . . 2.52 109.505 179.8 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -60.82 -51.42 69.4 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.093 -1.004 . . . . 1.75 109.782 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.594 HD22 HD22 ' A' ' 344' ' ' LEU . 65.4 mt -60.96 -34.53 74.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 0.31 109.108 179.819 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.516 ' HB2' HD21 ' D' ' 330' ' ' LEU . 10.5 t-20 -59.08 -53.92 52.88 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.391 -0.818 . . . . 1.21 109.591 179.699 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.58 -31.04 72.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.385 -0.822 . . . . 1.69 110.033 -179.732 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.592 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.27 -55.73 28.58 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.315 -0.866 . . . . 0.27 109.882 -179.617 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 29.3 mt -60.98 -43.6 98.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.419 -0.801 . . . . 0.3 109.64 -179.706 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.46 -33.29 71.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.345 -0.847 . . . . 1.93 109.465 179.908 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.765 HD21 HE21 ' A' ' 354' ' ' GLN . 10.5 tp -65.08 -44.46 88.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.238 -0.914 . . . . 0.4 109.338 179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 17.7 ttmm -61.75 -48.8 79.07 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.503 -0.748 . . . . 1.59 109.073 179.749 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -56.77 -33.28 66.45 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.515 -0.741 . . . . 1.43 109.777 179.745 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.62 82.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.65 109.725 -179.733 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.727 HE21 HD21 ' A' ' 350' ' ' LEU . 12.4 mt-30 -82.35 -8.84 59.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.295 -0.878 . . . . 1.19 109.691 -179.922 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.25 -22.54 61.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.168 -0.957 . . . . 1.22 109.168 179.754 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.94 17.22 37.77 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.812 -1.315 . . . . 1.53 109.812 179.97 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -85.26 138.53 32.27 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.107 -1.231 . . . . 4.21 109.565 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -49.74 123.31 14.64 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 5.68 109.508 -179.847 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.71 133.83 47.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 121.987 1.791 . . . . 5.57 110.208 179.841 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.08 -1.4 . . . . 7.2 109.698 179.903 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.414 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 2.3 mmmt . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.315 0.578 . . . . 8.96 109.561 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.57 33.2 20.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.194 -0.941 . . . . 8.15 109.634 179.967 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 35.3 mttm 58.52 84.79 0.2 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.931 . . . . 7.15 109.655 179.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' C' ' 319' ' ' LYS . 2.0 Cg_endo -68.66 -0.92 6.66 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.156 1.904 . . . . 4.35 110.806 179.825 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' C' ' 323' ' ' LEU . 13.9 mt -85.44 46.71 1.33 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 4.63 109.584 -179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -81.16 -79.51 0.16 Allowed 'General case' 0 C--N 1.294 -1.804 0 O-C-N 121.424 -0.798 . . . . 2.85 109.973 -179.819 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.87 145.59 43.6 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 110.004 -1.239 . . . . 1.12 110.004 -179.742 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -61.43 138.3 58.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.476 -1.014 . . . . 2.11 109.573 179.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.54 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 9.4 m-85 -95.99 160.99 14.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.207 -0.933 . . . . 0.64 109.506 179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 97.4 m-85 -138.05 -169.65 2.61 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.29 -0.881 . . . . 0.49 109.424 179.869 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.535 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 22.0 p -154.11 154.51 33.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.208 -0.933 . . . . 0.47 109.551 -179.936 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.3 tp -146.72 133.84 20.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.155 -0.966 . . . . 0.42 109.612 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 28.5 tt0 -86.7 129.45 34.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.267 -0.896 . . . . 1.81 109.685 -179.757 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' C' ' 341' ' ' PHE . 30.8 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.21 -0.931 . . . . 0.42 109.347 179.661 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.498 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.0 ttt-85 -73.36 153.86 40.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.289 -0.882 . . . . 2.35 109.647 -179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.54 133.35 6.27 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.758 -1.337 . . . . 0.41 109.758 179.621 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -68.63 -57.67 5.38 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.242 -1.152 . . . . 2.59 109.448 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.37 -39.85 80.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 2.54 109.62 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.446 ' NH1' ' HG2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -58.1 -48.42 80.25 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.234 -0.917 . . . . 3.39 109.803 -179.696 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE1' ' O ' ' A' ' 329' ' ' THR . 19.4 t80 -55.27 -59.97 4.04 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.387 -0.821 . . . . 0.47 109.816 -179.691 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.49 -34.19 24.1 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.308 -0.87 . . . . 1.66 110.039 -179.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -64.16 -51.58 63.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.093 -1.005 . . . . 0.61 110.256 -179.306 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.5 m-85 -61.56 -54.65 40.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.235 -0.916 . . . . 0.33 109.354 -179.677 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -50.0 -34.0 19.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.375 -0.828 . . . . 3.28 109.472 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -60.88 -51.38 69.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.16 -0.963 . . . . 1.78 109.711 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' D' ' 344' ' ' LEU . 65.3 mt -61.11 -34.43 74.95 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.38 109.037 179.84 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.506 ' HB2' HD21 ' A' ' 330' ' ' LEU . 10.5 t-20 -59.09 -53.94 52.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.502 -0.748 . . . . 1.2 109.529 179.738 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.64 -31.16 72.25 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.347 -0.845 . . . . 2.12 109.897 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.14 -55.72 29.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.201 -0.937 . . . . 0.26 109.924 -179.635 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.01 -43.66 98.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.42 -0.8 . . . . 0.4 109.584 -179.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -59.43 -33.3 71.08 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 2.09 109.507 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.723 HD21 HE21 ' D' ' 354' ' ' GLN . 10.5 tp -65.13 -44.4 88.79 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.75 109.311 179.819 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -48.88 78.68 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.512 -0.743 . . . . 2.19 109.03 179.767 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -56.64 -33.37 66.25 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.496 -0.752 . . . . 1.34 109.682 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.67 82.89 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.18 -0.95 . . . . 0.72 109.747 -179.661 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.712 HE21 HD21 ' D' ' 350' ' ' LEU . 12.5 mt-30 -82.26 -8.84 59.65 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.189 -0.944 . . . . 1.8 109.703 -179.915 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.23 -22.67 61.21 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 1.39 109.146 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.84 17.12 37.85 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.738 -1.345 . . . . 1.66 109.738 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -85.17 138.65 32.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.091 -1.241 . . . . 4.45 109.597 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -49.84 123.37 15.04 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.333 -0.854 . . . . 6.19 109.598 -179.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.86 133.89 47.17 Favored 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.003 1.802 . . . . 5.58 110.14 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.964 -1.464 . . . . 6.9 109.553 179.828 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 2.3 mmmt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.438 -0.578 . . . . 7.36 109.438 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.5 33.32 20.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 7.15 109.636 -179.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 35.3 mttm 58.49 84.75 0.2 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.244 -0.91 . . . . 6.5 109.717 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' D' ' 319' ' ' LYS . 2.0 Cg_endo -68.65 -1.04 6.84 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.142 1.895 . . . . 4.5 110.864 179.849 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' D' ' 323' ' ' LEU . 14.1 mt -85.24 46.61 1.31 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.962 -1.086 . . . . 4.32 109.687 179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -81.13 -79.58 0.16 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.314 -0.866 . . . . 2.46 109.907 -179.765 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.84 145.74 43.89 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.903 -1.279 . . . . 0.97 109.903 -179.668 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -61.56 138.21 58.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.442 -1.034 . . . . 1.67 109.552 179.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 9.3 m-85 -95.95 160.73 14.31 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.61 109.59 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.423 ' O ' HG23 ' D' ' 329' ' ' THR . 97.5 m-85 -137.75 -169.53 2.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.161 -0.962 . . . . 0.56 109.498 179.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 22.0 p -154.16 154.6 33.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.253 -0.904 . . . . 0.43 109.509 -179.854 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.4 tp -146.92 133.94 20.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.22 -0.925 . . . . 0.35 109.628 -179.836 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 28.5 tt0 -86.62 129.38 34.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.33 -0.856 . . . . 1.37 109.714 -179.743 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' D' ' 341' ' ' PHE . 31.1 mt -124.03 109.76 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.326 -0.859 . . . . 0.48 109.381 179.615 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.492 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.9 ttt-85 -73.42 153.71 40.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.273 -0.892 . . . . 2.08 109.709 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.63 133.23 6.26 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.828 -1.309 . . . . 0.4 109.828 179.703 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -68.46 -57.69 5.45 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.325 -1.103 . . . . 2.64 109.571 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.25 -40.01 80.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.413 -0.804 . . . . 2.22 109.621 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -58.03 -48.4 80.18 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.287 -0.883 . . . . 2.74 109.9 -179.63 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' B' ' 329' ' ' THR . 19.3 t80 -55.16 -60.02 3.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.488 -0.758 . . . . 0.43 109.878 -179.808 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -50.56 -34.22 24.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 1.69 109.939 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.17 -51.42 63.88 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.107 -0.996 . . . . 0.43 110.296 -179.328 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.701 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -61.59 -54.72 39.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.211 -0.931 . . . . 0.27 109.323 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -49.95 -34.0 19.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.442 -0.787 . . . . 2.45 109.573 179.854 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.85 -51.39 69.52 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.063 -1.023 . . . . 1.75 109.778 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.55 HD22 HD22 ' C' ' 344' ' ' LEU . 65.7 mt -61.05 -34.38 74.78 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.31 109.156 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.518 ' HB2' HD21 ' B' ' 330' ' ' LEU . 10.5 t-20 -59.12 -53.9 53.11 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.354 -0.841 . . . . 1.22 109.648 179.642 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -63.68 -31.07 72.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.378 -0.826 . . . . 1.73 109.937 -179.681 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.667 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.16 -55.86 27.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.174 -0.954 . . . . 0.28 109.854 -179.656 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.99 -43.48 98.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.376 -0.827 . . . . 0.31 109.669 -179.699 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -59.44 -33.34 71.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.23 -0.919 . . . . 1.91 109.432 179.857 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.712 HD21 HE21 ' C' ' 354' ' ' GLN . 10.5 tp -65.11 -44.49 88.58 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.319 -0.863 . . . . 0.43 109.273 179.875 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.739 . . . . 1.57 109.113 179.755 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -56.62 -33.35 66.19 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.59 -0.694 . . . . 1.44 109.719 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.61 82.61 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 0.64 109.681 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.723 HE21 HD21 ' C' ' 350' ' ' LEU . 12.6 mt-30 -82.25 -9.0 59.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.15 -0.969 . . . . 1.21 109.613 -179.946 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.17 -22.61 61.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 1.22 109.174 179.794 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.85 17.18 37.58 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.782 -1.327 . . . . 1.5 109.782 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -85.21 138.71 32.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -1.194 . . . . 4.18 109.549 -179.823 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -49.84 123.28 14.91 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.386 -0.821 . . . . 5.67 109.523 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.74 133.81 47.13 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.935 1.757 . . . . 5.65 110.217 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 117.946 -1.474 . . . . 7.27 109.529 179.839 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.445 -0.576 . . . . 7.33 109.445 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 18.0 mtpt 61.44 22.07 12.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 7.21 109.553 179.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 320' ' ' LYS . 6.1 mtmt 60.16 84.33 0.2 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.254 -0.904 . . . . 6.47 109.492 179.983 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.63 144.24 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.137 1.891 . . . . 4.53 110.064 179.829 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.8 mt -80.51 106.69 12.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.15 -0.969 . . . . 4.35 109.549 -179.767 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.407 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 5.5 m-20 -81.0 -164.78 0.79 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.411 -0.806 . . . . 2.48 109.561 179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.57 174.97 34.44 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.493 -1.443 . . . . 0.98 109.493 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.85 135.51 57.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.208 -1.172 . . . . 1.7 109.264 179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' HB3' ' CD ' ' C' ' 331' ' ' GLN . 42.3 m-85 -93.07 160.33 14.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.61 109.559 -179.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.1 2.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.207 -0.933 . . . . 0.58 109.389 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.526 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.6 p -155.35 151.84 28.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.267 -0.896 . . . . 0.42 109.487 -179.873 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' C' ' 329' ' ' THR . 11.4 tp -147.24 131.42 17.38 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.226 -0.921 . . . . 0.36 109.47 -179.626 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.9 tt0 -86.67 134.01 33.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.89 . . . . 1.37 109.726 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.8 mt -124.15 115.15 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.314 -0.866 . . . . 0.47 109.359 179.563 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.404 ' CZ ' ' H ' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -74.06 145.92 44.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.186 -0.946 . . . . 2.1 109.731 179.9 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.57 135.04 8.51 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.868 -1.293 . . . . 0.42 109.868 179.639 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.474 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 39.8 ttm180 -71.06 -56.94 5.08 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.458 -1.025 . . . . 2.68 109.569 179.877 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.31 -39.54 79.64 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.318 -0.864 . . . . 2.22 109.577 -179.894 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.466 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.73 -46.36 84.54 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.128 -0.983 . . . . 2.77 109.904 -179.579 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.529 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.8 t80 -55.23 -59.13 5.2 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.387 -0.821 . . . . 0.43 109.713 -179.73 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.24 -35.9 39.27 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 1.66 110.05 -179.571 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.22 -49.96 72.12 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.23 -0.919 . . . . 0.44 110.35 -179.036 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.583 ' HB2' HD13 ' A' ' 332' ' ' ILE . 27.0 m-85 -62.4 -51.6 66.93 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.103 -0.998 . . . . 0.29 109.338 -179.648 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 19.6 ttp180 -50.22 -36.33 30.36 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.776 179.998 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.91 -50.13 74.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.032 -1.042 . . . . 1.74 109.638 -179.695 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' B' ' 344' ' ' LEU . 95.9 mt -61.7 -33.16 73.51 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.231 -0.918 . . . . 0.3 108.995 179.853 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.62 -55.6 32.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.319 -0.863 . . . . 1.22 109.671 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.59 -31.8 73.08 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 1.72 110.122 -179.422 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -57.55 12.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.109 -0.994 . . . . 0.27 110.025 -179.605 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.72 -41.36 95.12 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.268 -0.895 . . . . 0.29 109.642 -179.435 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.42 -34.49 74.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.235 -0.916 . . . . 1.91 109.735 -179.979 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.2 tt -65.7 -46.5 78.78 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.25 -0.906 . . . . 0.41 109.476 -179.485 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.2 -40.08 92.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.353 -0.842 . . . . 1.56 108.945 179.694 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.59 -32.49 65.28 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.602 -0.686 . . . . 1.43 109.747 179.8 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.66 -53.33 35.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.66 109.556 -179.763 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.47 4.22 18.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.261 -0.899 . . . . 1.18 109.679 179.841 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.27 -80.33 0.06 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.161 -0.962 . . . . 1.23 110.199 -179.615 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.21 10.37 35.36 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 120.292 -0.956 . . . . 1.54 110.777 -178.917 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 47.4 tttt -87.19 95.44 9.97 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.896 -1.355 . . . . 4.18 109.581 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -52.33 130.17 42.64 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.342 -0.849 . . . . 5.71 109.393 -179.991 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.9 122.79 11.48 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 121.965 1.777 . . . . 5.61 110.202 179.725 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 118.013 -1.437 . . . . 7.24 109.546 179.912 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.476 -0.564 . . . . 7.34 109.476 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' B' ' 321' ' ' LYS . 17.9 mtpt 61.31 22.15 12.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.325 -0.859 . . . . 7.17 109.58 179.976 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' B' ' 320' ' ' LYS . 6.1 mtmt 60.13 84.31 0.2 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 6.44 109.435 179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.62 144.23 99.51 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.17 1.913 . . . . 4.54 110.103 179.775 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.54 106.78 12.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.113 -0.992 . . . . 4.32 109.681 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.404 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 5.5 m-20 -81.01 -164.52 0.75 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.396 -0.815 . . . . 2.47 109.578 -179.919 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.87 175.0 35.47 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.447 -1.461 . . . . 0.95 109.447 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -58.67 135.45 57.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.183 -1.187 . . . . 1.61 109.317 179.83 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 41.8 m-85 -93.1 160.18 14.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.199 -0.938 . . . . 0.57 109.511 -179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 99.5 m-85 -137.08 -168.37 2.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.53 109.429 179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.536 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -155.1 151.89 28.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.167 -0.958 . . . . 0.38 109.547 -179.874 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -147.14 131.67 17.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.276 -0.89 . . . . 0.36 109.507 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.8 tt0 -86.99 133.82 33.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 1.36 109.653 -179.954 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' B' ' 341' ' ' PHE . 37.7 mt -124.04 115.33 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.49 109.361 179.586 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.19 145.93 43.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.169 -0.957 . . . . 2.1 109.587 179.974 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.84 8.43 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.887 -1.285 . . . . 0.44 109.887 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 39.9 ttm180 -70.95 -56.97 5.07 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.72 109.571 179.869 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.18 -39.57 79.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 2.21 109.677 -179.967 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' NH1' ' HG2' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.69 -46.32 84.47 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.33 -0.856 . . . . 2.79 109.942 -179.566 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.8 t80 -55.29 -59.11 5.25 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.37 -0.831 . . . . 0.45 109.702 -179.718 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.32 -35.84 39.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.351 -0.843 . . . . 1.68 110.038 -179.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.2 -50.08 71.71 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.159 -0.963 . . . . 0.43 110.298 -179.075 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.59 ' HB2' HD13 ' B' ' 332' ' ' ILE . 27.2 m-85 -62.38 -51.48 67.42 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.986 -1.072 . . . . 0.28 109.409 -179.646 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.21 -36.53 31.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.38 -0.825 . . . . 2.52 109.742 179.922 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.82 -50.11 75.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.077 -1.014 . . . . 1.75 109.665 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 344' ' ' LEU . 95.9 mt -61.76 -33.16 73.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.31 108.997 179.827 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.49 -55.72 31.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -0.8 . . . . 1.21 109.616 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.57 -31.6 72.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -0.835 . . . . 1.69 110.131 -179.373 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.568 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.32 -57.46 12.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.23 -0.919 . . . . 0.27 110.054 -179.547 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.8 -41.23 95.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.319 -0.863 . . . . 0.3 109.649 -179.465 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.48 -34.52 74.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 1.93 109.706 -179.965 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.681 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.2 tt -65.67 -46.47 78.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -0.921 . . . . 0.4 109.533 -179.514 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.22 -40.0 92.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.312 -0.868 . . . . 1.59 108.976 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.63 -32.6 65.48 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.684 -0.635 . . . . 1.43 109.606 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.56 -53.36 35.51 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.273 -0.892 . . . . 0.65 109.637 -179.799 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.38 3.97 19.48 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.314 -0.866 . . . . 1.19 109.623 179.846 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.05 -80.35 0.06 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 1.22 110.289 -179.618 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.2 10.37 35.3 Favored Glycine 0 N--CA 1.493 2.481 0 C-N-CA 120.245 -0.978 . . . . 1.53 110.804 -178.945 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 47.3 tttt -87.17 95.35 9.93 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.8 -1.412 . . . . 4.21 109.566 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.26 130.07 41.94 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.321 -0.862 . . . . 5.68 109.506 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.9 122.75 11.43 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.948 1.765 . . . . 5.57 110.18 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.984 -1.453 . . . . 7.2 109.583 179.952 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.254 0.55 . . . . 8.96 109.524 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 17.9 mtpt 61.36 22.19 12.61 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.283 -0.886 . . . . 8.15 109.517 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' C' ' 320' ' ' LYS . 6.1 mtmt 60.15 84.28 0.2 Allowed Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.315 -0.865 . . . . 7.15 109.483 179.934 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.57 144.26 99.51 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.157 1.905 . . . . 4.35 110.027 179.841 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.5 106.71 12.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.119 -0.988 . . . . 4.63 109.602 -179.888 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 5.5 m-20 -81.07 -164.67 0.78 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.284 -0.885 . . . . 2.85 109.648 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.404 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -69.58 174.9 34.61 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.488 -1.445 . . . . 1.12 109.488 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -58.69 135.51 57.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -1.129 . . . . 2.11 109.298 179.764 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 42.8 m-85 -93.18 160.35 14.88 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.121 -0.987 . . . . 0.64 109.499 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.505 ' O ' HG23 ' C' ' 329' ' ' THR . 99.6 m-85 -137.1 -168.18 2.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.918 . . . . 0.49 109.302 -179.905 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.529 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.7 p -155.35 151.78 28.34 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.303 -0.873 . . . . 0.47 109.526 -179.923 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -147.1 131.4 17.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.248 -0.908 . . . . 0.42 109.484 -179.585 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.9 tt0 -86.63 133.99 33.66 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 1.81 109.733 -179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' C' ' 341' ' ' PHE . 37.3 mt -124.2 115.21 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.236 -0.915 . . . . 0.42 109.413 179.517 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 145.89 44.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.864 . . . . 2.35 109.65 -179.993 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.59 134.95 8.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.568 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 39.9 ttm180 -71.11 -56.86 5.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.424 -1.045 . . . . 2.59 109.505 179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.19 -39.67 79.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -0.828 . . . . 2.54 109.632 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.455 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.74 -46.33 84.6 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.312 -0.868 . . . . 3.39 109.889 -179.474 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.526 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.8 t80 -55.22 -59.07 5.29 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.347 -0.846 . . . . 0.47 109.723 -179.782 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -51.37 -35.82 40.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.898 . . . . 1.66 110.059 -179.547 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.16 -50.05 71.9 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.258 -0.901 . . . . 0.61 110.318 -179.083 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' C' ' 332' ' ' ILE . 27.1 m-85 -62.44 -51.45 67.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.082 -1.011 . . . . 0.33 109.359 -179.611 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -50.31 -36.32 31.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.485 -0.759 . . . . 3.28 109.805 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -60.04 -49.88 75.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.045 -1.035 . . . . 1.78 109.637 -179.627 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' D' ' 344' ' ' LEU . 95.9 mt -62.05 -32.97 73.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.155 -0.966 . . . . 0.38 108.9 179.842 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.66 -55.6 32.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.492 -0.755 . . . . 1.2 109.648 179.7 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.65 -31.55 72.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.446 -0.784 . . . . 2.12 110.094 -179.386 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.46 -57.49 11.98 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.175 -0.953 . . . . 0.26 109.894 -179.501 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.57 -41.55 94.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.32 -0.863 . . . . 0.4 109.607 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.35 -34.59 74.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 2.09 109.759 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.669 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.2 tt -65.58 -46.49 79.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.259 -0.901 . . . . 0.75 109.54 -179.565 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -61.24 -39.96 92.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 2.19 108.987 179.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.67 -32.48 65.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.587 -0.696 . . . . 1.34 109.65 179.751 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.66 -53.37 34.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.72 109.553 -179.725 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.41 4.1 19.16 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 1.8 109.686 179.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.11 -80.45 0.06 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.111 -0.993 . . . . 1.39 110.114 -179.553 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.22 10.42 35.19 Favored Glycine 0 N--CA 1.493 2.455 0 C-N-CA 120.217 -0.992 . . . . 1.66 110.822 -178.843 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 47.6 tttt -87.25 95.46 9.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.786 -1.42 . . . . 4.45 109.489 179.994 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -52.32 130.26 42.57 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.839 . . . . 6.19 109.449 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.98 122.74 11.39 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.908 1.738 . . . . 5.58 110.217 179.79 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 CA-C-O 117.953 -1.471 . . . . 6.9 109.611 179.934 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 7.2 pttt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.37 0.605 . . . . 7.36 109.424 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 17.8 mtpt 61.3 22.18 12.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.247 -0.908 . . . . 7.15 109.547 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' D' ' 320' ' ' LYS . 6.0 mtmt 60.19 84.28 0.2 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 6.5 109.473 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.65 144.17 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.152 1.901 . . . . 4.5 110.048 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.36 106.61 12.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.183 -0.948 . . . . 4.32 109.597 -179.818 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.411 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.4 m-20 -80.93 -164.67 0.77 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.441 -0.787 . . . . 2.46 109.584 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.66 175.05 34.64 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.459 -1.456 . . . . 0.97 109.459 179.808 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.83 135.53 57.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -1.135 . . . . 1.67 109.238 179.854 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 41.6 m-85 -93.08 160.32 14.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 0.61 109.552 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.493 ' O ' HG23 ' D' ' 329' ' ' THR . 99.6 m-85 -137.21 -168.37 2.28 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.56 109.407 -179.967 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.569 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.8 p -155.32 151.33 27.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.261 -0.899 . . . . 0.43 109.529 -179.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -146.75 131.65 18.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.196 -0.94 . . . . 0.35 109.446 -179.622 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -86.86 133.85 33.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.327 -0.858 . . . . 1.37 109.604 -179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.575 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.5 mt -123.98 115.41 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.48 109.424 179.48 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 145.85 43.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.175 -0.953 . . . . 2.08 109.645 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.41 135.15 8.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.903 -1.279 . . . . 0.4 109.903 179.629 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.492 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 39.8 ttm180 -70.92 -57.11 4.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -1.124 . . . . 2.64 109.595 179.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.22 -39.57 79.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -0.909 . . . . 2.22 109.651 -179.921 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.467 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.67 -46.39 84.33 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.248 -0.908 . . . . 2.74 109.885 -179.585 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.536 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -55.32 -58.93 5.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.269 -0.894 . . . . 0.43 109.724 -179.66 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.45 -35.86 41.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.396 -0.815 . . . . 1.69 110.032 -179.594 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.3 ttp -63.17 -50.0 72.1 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.124 -0.985 . . . . 0.43 110.354 -179.044 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.575 ' HB2' HD13 ' D' ' 332' ' ' ILE . 27.1 m-85 -62.29 -51.61 67.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.062 -1.024 . . . . 0.27 109.397 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -50.19 -36.51 30.82 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.41 -0.807 . . . . 2.45 109.686 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.94 -49.99 75.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.052 -1.03 . . . . 1.75 109.61 -179.516 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.478 HD22 HD22 ' C' ' 344' ' ' LEU . 95.9 mt -61.81 -33.1 73.53 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.295 -0.878 . . . . 0.31 108.965 179.805 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -59.67 -55.68 31.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.361 -0.837 . . . . 1.22 109.577 179.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.55 -31.52 72.7 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 1.73 110.173 -179.462 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.598 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.49 -57.51 11.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.28 109.979 -179.528 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.63 -41.37 94.74 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.31 109.655 -179.484 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.47 -34.46 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.34 -0.85 . . . . 1.91 109.775 179.989 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.661 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.2 tt -65.69 -46.51 78.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.43 109.476 -179.558 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -61.05 -40.09 92.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 1.57 109.049 179.584 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.7 -32.49 65.53 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.631 -0.668 . . . . 1.44 109.624 179.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.66 -53.34 34.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.231 -0.918 . . . . 0.64 109.572 -179.778 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -80.31 3.92 19.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -0.885 . . . . 1.21 109.705 179.759 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.08 -80.32 0.06 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.279 -0.888 . . . . 1.22 110.245 -179.565 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -79.3 10.39 35.93 Favored Glycine 0 N--CA 1.493 2.488 0 C-N-CA 120.273 -0.965 . . . . 1.5 110.761 -178.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 47.2 tttt -87.11 95.39 9.94 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.836 -1.391 . . . . 4.18 109.574 179.904 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -52.25 130.15 41.84 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.288 -0.883 . . . . 5.67 109.42 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.98 122.86 11.56 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.903 1.735 . . . . 5.65 110.145 179.745 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 CA-C-O 118.048 -1.418 . . . . 7.27 109.561 179.931 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.465 -0.568 . . . . 7.33 109.465 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.27 92.57 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.268 -0.895 . . . . 7.21 109.421 -179.918 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.1 OUTLIER 57.85 63.89 4.29 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.238 -0.913 . . . . 6.47 109.367 -179.847 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -67.7 -1.49 6.82 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.275 1.983 . . . . 4.53 110.973 -179.804 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 32.1 mt -81.92 94.06 7.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.984 -1.073 . . . . 4.35 109.646 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.44 -154.5 0.15 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 2.48 109.254 179.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 172.12 35.79 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.399 -1.48 . . . . 0.98 109.399 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -58.9 132.77 54.97 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.228 -1.16 . . . . 1.7 109.623 -179.958 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -93.32 160.51 14.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 0.61 109.428 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.631 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.9 m-85 -140.31 -173.75 3.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.291 -0.881 . . . . 0.58 109.515 -179.977 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 70.2 p -153.21 157.26 39.98 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.42 109.549 -179.72 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.7 tp -148.03 130.9 16.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.194 -0.941 . . . . 0.36 109.414 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.448 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 5.5 tt0 -86.56 131.1 34.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.177 -0.952 . . . . 1.37 109.646 -179.736 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.7 mt -123.86 115.36 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.47 109.548 179.834 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -73.33 147.53 44.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.272 -0.893 . . . . 2.1 109.466 179.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.06 131.6 5.85 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.784 -1.326 . . . . 0.42 109.784 179.655 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 24.4 ttp180 -74.21 -54.03 8.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -1.148 . . . . 2.68 109.362 179.846 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.33 -43.66 88.32 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.337 -0.852 . . . . 2.22 109.568 179.899 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.425 ' NH2' ' HB2' ' C' ' 348' ' ' LEU . 0.3 OUTLIER -60.97 -42.8 99.03 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.305 -0.872 . . . . 2.77 109.403 179.927 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.535 ' HD1' HD12 ' A' ' 332' ' ' ILE . 44.9 t80 -55.8 -53.24 59.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.443 -0.786 . . . . 0.43 109.822 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.85 -36.07 35.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.326 -0.859 . . . . 1.66 109.989 -179.688 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.29 -48.8 76.59 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.463 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 332' ' ' ILE . 22.4 m-85 -61.33 -54.79 39.3 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.187 -0.945 . . . . 0.29 109.384 -179.755 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -50.96 -34.55 29.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 2.44 109.544 179.84 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.64 -51.12 70.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.177 -0.952 . . . . 1.74 109.73 -179.912 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' B' ' 344' ' ' LEU . 59.9 mt -61.65 -34.36 75.57 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.182 -0.949 . . . . 0.3 109.062 179.829 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.664 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.9 t-20 -59.07 -51.58 69.43 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.415 -0.803 . . . . 1.22 109.402 179.543 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.17 -32.58 74.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.377 -0.827 . . . . 1.72 109.65 179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.31 -50.6 72.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.279 -0.888 . . . . 0.27 109.92 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.521 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 70.3 mt -61.78 -45.62 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.29 109.739 -179.585 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -35.19 73.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.126 -0.983 . . . . 1.91 109.707 -179.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.525 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 30.5 tp -65.31 -46.05 81.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.41 109.555 -179.895 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.41 -38.3 86.62 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.278 -0.888 . . . . 1.56 108.762 179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.66 -37.06 70.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.511 -0.743 . . . . 1.43 109.345 179.668 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.55 -35.06 78.32 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.286 -0.883 . . . . 0.66 109.484 179.887 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.51 -2.78 51.07 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.343 -0.848 . . . . 1.18 109.648 179.896 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.24 -27.24 64.29 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.912 . . . . 1.23 109.359 179.96 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.6 -8.89 79.63 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.46 -1.456 . . . . 1.54 109.46 179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -87.27 138.23 31.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.252 -1.146 . . . . 4.18 109.363 179.947 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.13 152.02 4.33 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.233 -0.917 . . . . 5.71 109.542 179.993 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.39 -163.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.198 1.932 . . . . 5.61 110.25 179.924 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 117.924 -1.487 . . . . 7.24 109.56 179.84 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.45 -0.574 . . . . 7.34 109.45 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.21 92.65 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.23 -0.919 . . . . 7.17 109.437 -179.736 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.1 OUTLIER 57.95 63.91 4.22 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.251 -0.906 . . . . 6.44 109.275 -179.919 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.8 Cg_endo -67.77 -1.56 7.0 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.27 1.98 . . . . 4.54 110.907 -179.84 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 32.3 mt -81.91 94.12 7.04 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.886 -1.134 . . . . 4.32 109.632 -179.94 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' B' ' 324' ' ' ASP . 5.1 m-20 -83.43 -154.64 0.15 Allowed 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.368 -0.832 . . . . 2.47 109.226 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.43 172.2 35.41 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.351 -1.5 . . . . 0.95 109.351 179.704 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.0 132.75 54.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -1.165 . . . . 1.61 109.597 -179.92 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -93.31 160.58 14.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.57 109.462 179.878 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.9 m-85 -140.35 -173.79 3.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.267 -0.896 . . . . 0.53 109.483 -179.898 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 71.9 p -153.19 157.4 40.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.18 -0.95 . . . . 0.38 109.632 -179.762 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -148.18 130.89 15.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.927 . . . . 0.36 109.272 -179.884 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 5.5 tt0 -86.53 131.23 34.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 1.36 109.632 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.6 mt -123.98 115.41 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.49 109.569 179.759 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 6.1 ttt180 -73.47 147.65 43.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 2.1 109.587 179.933 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 92.96 131.63 5.83 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.811 -1.315 . . . . 0.44 109.811 179.767 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.456 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 24.3 ttp180 -74.22 -53.93 8.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -1.092 . . . . 2.72 109.357 179.866 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.41 -43.67 88.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 2.21 109.428 179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.44 ' NH2' ' HB2' ' D' ' 348' ' ' LEU . 0.2 OUTLIER -61.06 -42.59 98.78 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.394 -0.816 . . . . 2.79 109.423 -179.95 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' B' ' 332' ' ' ILE . 45.0 t80 -55.97 -53.27 58.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.419 -0.8 . . . . 0.45 109.741 -179.846 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.78 -36.09 35.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.307 -0.87 . . . . 1.68 109.994 -179.693 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.5 ttp -63.23 -48.83 76.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.137 -0.977 . . . . 0.43 110.133 -179.458 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' B' ' 332' ' ' ILE . 22.3 m-85 -61.35 -54.77 39.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.957 . . . . 0.28 109.408 -179.766 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -50.9 -34.52 28.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.395 -0.816 . . . . 2.52 109.619 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.68 -51.22 70.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.22 -0.925 . . . . 1.75 109.666 -179.849 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.737 HD22 HD22 ' A' ' 344' ' ' LEU . 59.8 mt -61.66 -34.21 75.32 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.294 -0.879 . . . . 0.31 109.109 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.612 ' HB2' HD21 ' D' ' 330' ' ' LEU . 16.0 t-20 -59.09 -51.7 68.89 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.398 -0.814 . . . . 1.21 109.333 179.534 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.07 -32.67 74.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.319 -0.863 . . . . 1.69 109.675 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.866 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.19 -50.64 72.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.334 -0.854 . . . . 0.27 109.939 -179.796 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.494 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 70.3 mt -61.72 -45.64 93.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.219 -0.926 . . . . 0.3 109.773 -179.604 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.54 -35.31 73.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 1.93 109.679 -179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.525 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 30.2 tp -65.24 -46.05 82.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.4 109.543 -179.781 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.41 -38.36 86.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.383 -0.823 . . . . 1.59 108.823 179.796 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.56 -36.98 69.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.567 -0.708 . . . . 1.43 109.416 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.2 78.56 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.306 -0.871 . . . . 0.65 109.41 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' A' ' 350' ' ' LEU . 0.4 OUTLIER -81.47 -2.84 51.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.311 -0.868 . . . . 1.19 109.61 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.22 -27.22 64.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.072 -1.017 . . . . 1.22 109.311 179.969 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.59 -9.03 79.43 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.363 -1.495 . . . . 1.53 109.363 179.76 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.21 138.14 31.74 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.2 -1.176 . . . . 4.21 109.396 179.967 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.04 151.96 4.21 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.185 -0.947 . . . . 5.68 109.54 179.973 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.45 -163.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.195 1.93 . . . . 5.57 110.231 179.902 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 117.954 -1.47 . . . . 7.2 109.567 179.974 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.278 0.561 . . . . 8.96 109.512 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.28 92.53 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 8.15 109.414 -179.891 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.514 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.1 OUTLIER 58.02 63.78 4.24 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.316 -0.865 . . . . 7.15 109.337 -179.954 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.514 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.8 Cg_endo -67.71 -1.49 6.85 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.24 1.96 . . . . 4.35 110.978 -179.82 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 32.0 mt -81.89 94.03 7.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.937 -1.102 . . . . 4.63 109.67 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' C' ' 324' ' ' ASP . 5.1 m-20 -83.45 -154.49 0.15 Allowed 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.507 -0.746 . . . . 2.85 109.294 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.5 172.24 35.59 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.302 -1.519 . . . . 1.12 109.302 179.773 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.07 132.86 55.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -1.143 . . . . 2.11 109.588 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 10.4 m-85 -93.33 160.45 14.81 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.224 -0.922 . . . . 0.64 109.45 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.9 m-85 -140.26 -173.81 3.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.49 109.474 -179.979 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 70.8 p -153.06 157.37 40.35 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.169 -0.957 . . . . 0.47 109.639 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.664 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.7 tp -148.05 130.78 16.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.91 . . . . 0.42 109.427 -179.983 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 5.5 tt0 -86.52 131.11 34.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 1.81 109.73 -179.851 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' C' ' 341' ' ' PHE . 29.6 mt -123.82 115.41 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.893 . . . . 0.42 109.577 179.763 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -73.4 147.5 44.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.274 -0.891 . . . . 2.35 109.556 179.843 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.0 131.69 5.87 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.836 -1.305 . . . . 0.41 109.836 179.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.631 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 24.2 ttp180 -74.31 -53.92 8.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -1.1 . . . . 2.59 109.341 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.38 -43.88 88.65 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.335 -0.853 . . . . 2.54 109.468 179.98 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.445 ' NH2' ' HB2' ' A' ' 348' ' ' LEU . 0.2 OUTLIER -60.83 -42.71 98.26 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.334 -0.854 . . . . 3.39 109.439 179.971 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.537 ' HD1' HD12 ' C' ' 332' ' ' ILE . 45.0 t80 -55.89 -53.26 58.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.484 -0.76 . . . . 0.47 109.79 -179.847 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -50.86 -36.1 36.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 1.66 109.928 -179.659 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.23 -48.9 76.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.116 -0.99 . . . . 0.61 110.075 -179.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' C' ' 332' ' ' ILE . 22.5 m-85 -61.25 -54.91 38.13 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.33 109.403 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.52 28.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 3.28 109.61 179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -60.73 -51.05 71.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 1.78 109.71 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' D' ' 344' ' ' LEU . 59.0 mt -61.74 -34.26 75.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -0.906 . . . . 0.38 109.048 179.791 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.732 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.9 t-20 -59.09 -51.65 69.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.382 -0.824 . . . . 1.2 109.26 179.618 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.16 -32.57 74.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.339 -0.85 . . . . 2.12 109.612 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.41 -50.52 72.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 0.26 109.899 -179.724 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 70.3 mt -61.7 -45.78 92.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.206 -0.934 . . . . 0.4 109.731 -179.652 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.47 -35.23 73.68 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.22 -0.925 . . . . 2.09 109.683 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.509 HD13 ' NE2' ' D' ' 354' ' ' GLN . 30.5 tp -65.24 -46.21 81.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.75 109.576 -179.817 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.21 -38.43 86.56 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.407 -0.808 . . . . 2.19 108.846 179.802 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -56.54 -37.01 69.91 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.472 -0.768 . . . . 1.34 109.395 179.587 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.16 78.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.72 109.368 -179.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.473 ' NE2' HD13 ' D' ' 350' ' ' LEU . 0.4 OUTLIER -81.54 -2.77 51.14 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.877 . . . . 1.8 109.643 -179.933 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.17 -27.34 64.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.194 -0.941 . . . . 1.39 109.334 179.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.48 -8.98 79.9 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.471 -1.452 . . . . 1.66 109.471 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.19 138.08 31.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -1.134 . . . . 4.45 109.455 179.942 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.12 151.93 4.39 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 6.19 109.541 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.46 -163.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.228 1.952 . . . . 5.58 110.216 179.997 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 117.975 -1.459 . . . . 6.9 109.586 -179.987 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.525 -0.546 . . . . 7.36 109.525 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 16.8 tptt 58.34 92.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 7.15 109.43 -179.83 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.1 OUTLIER 57.92 63.9 4.24 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.19 -0.944 . . . . 6.5 109.309 -179.918 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.8 Cg_endo -67.84 -1.48 6.93 Favored 'Trans proline' 0 C--N 1.311 -1.416 0 C-N-CA 122.227 1.951 . . . . 4.5 110.926 -179.802 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 31.8 mt -81.85 93.99 6.98 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.979 -1.076 . . . . 4.32 109.712 -179.973 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.1 m-20 -83.42 -154.44 0.15 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.47 -0.769 . . . . 2.46 109.27 179.699 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.53 172.23 35.73 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.334 -1.506 . . . . 0.97 109.334 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.06 132.83 55.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.219 -1.166 . . . . 1.67 109.64 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 10.7 m-85 -93.3 160.59 14.76 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.271 -0.893 . . . . 0.61 109.419 179.934 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.456 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.9 m-85 -140.4 -173.75 3.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.169 -0.957 . . . . 0.56 109.438 -179.955 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.435 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 69.3 p -153.17 157.39 40.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.253 -0.905 . . . . 0.43 109.575 -179.666 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.612 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.7 tp -148.18 130.9 15.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.375 -0.828 . . . . 0.35 109.37 -179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 5.5 tt0 -86.65 131.33 34.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.316 -0.865 . . . . 1.37 109.599 -179.767 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.63 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.7 mt -124.0 115.43 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.48 109.446 179.873 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 6.0 ttt180 -73.42 147.58 44.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.217 -0.927 . . . . 2.08 109.469 179.901 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 93.0 131.6 5.83 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.676 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.518 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 24.4 ttp180 -74.19 -53.92 8.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -1.121 . . . . 2.64 109.41 179.806 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -58.44 -43.76 88.92 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.294 -0.879 . . . . 2.22 109.463 179.988 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' B' ' 348' ' ' LEU . 0.2 OUTLIER -60.89 -42.68 98.44 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.278 -0.889 . . . . 2.74 109.434 179.953 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.542 ' HD1' HD12 ' D' ' 332' ' ' ILE . 45.2 t80 -55.84 -53.32 58.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.407 -0.808 . . . . 0.43 109.718 -179.838 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -50.92 -36.07 36.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 1.69 109.881 -179.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -63.15 -48.97 76.19 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.195 -0.941 . . . . 0.43 110.119 -179.444 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.63 ' HB2' HD13 ' D' ' 332' ' ' ILE . 22.8 m-85 -61.2 -54.83 39.31 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.126 -0.984 . . . . 0.27 109.446 -179.793 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.85 -34.53 28.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 2.45 109.603 179.835 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -60.7 -51.27 70.07 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.132 -0.98 . . . . 1.75 109.652 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.733 HD22 HD22 ' C' ' 344' ' ' LEU . 60.6 mt -61.58 -34.31 75.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.247 -0.908 . . . . 0.31 109.104 179.854 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.661 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.9 t-20 -59.06 -51.68 69.0 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.384 -0.823 . . . . 1.22 109.315 179.623 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.14 -32.63 74.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.387 -0.821 . . . . 1.73 109.613 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.822 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -50.56 72.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 0.28 109.945 -179.733 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.516 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 70.2 mt -61.77 -45.67 92.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.31 109.731 -179.698 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.51 -35.3 73.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.305 -0.872 . . . . 1.91 109.635 -179.881 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.5 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 30.7 tp -65.23 -46.1 81.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.398 -0.814 . . . . 0.43 109.582 -179.797 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.27 -38.34 86.37 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.37 -0.831 . . . . 1.57 108.876 179.736 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.61 -36.97 70.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.488 -0.757 . . . . 1.44 109.43 179.54 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.13 78.44 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.404 -0.81 . . . . 0.64 109.478 179.908 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.509 ' NE2' HD13 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -81.62 -2.7 51.14 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.233 -0.917 . . . . 1.21 109.641 -179.972 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -27.3 64.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.075 -1.016 . . . . 1.22 109.333 179.882 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -9.03 79.51 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.387 -1.485 . . . . 1.5 109.387 179.817 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -87.22 138.16 31.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -1.119 . . . . 4.18 109.352 179.983 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -51.11 151.98 4.33 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.891 . . . . 5.67 109.487 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.42 -163.36 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.179 1.92 . . . . 5.65 110.192 179.935 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.028 -1.429 . . . . 7.27 109.533 179.889 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.443 -0.577 . . . . 7.33 109.443 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.5 mttp 60.69 94.34 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.899 . . . . 7.21 109.464 -179.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 57.16 60.78 6.87 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 6.47 109.488 -179.967 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.2 Cg_endo -64.27 81.06 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.369 2.046 . . . . 4.53 110.662 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 323' ' ' LEU . 53.2 mt -82.79 108.84 16.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.208 -0.932 . . . . 4.35 109.17 179.473 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.08 96.57 7.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.108 -0.995 . . . . 2.48 109.917 -179.737 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.561 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -74.11 150.4 42.36 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.353 -1.499 . . . . 0.98 109.353 179.262 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 27.9 mt-10 -60.78 121.36 12.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.196 -1.179 . . . . 1.7 109.237 179.409 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.561 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 71.3 m-85 -95.51 146.34 24.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.14 -0.975 . . . . 0.61 109.775 179.937 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 81.8 m-85 -137.62 -173.19 3.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.205 -0.934 . . . . 0.58 109.376 179.926 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.514 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.9 p -152.55 164.77 36.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.228 -0.92 . . . . 0.42 109.255 -179.941 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 14.7 tp -148.28 131.95 16.88 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.36 109.62 -179.68 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.46 127.79 34.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.342 -0.849 . . . . 1.37 109.132 179.755 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.437 HD12 ' CD1' ' A' ' 338' ' ' PHE . 40.0 mt -123.53 109.54 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.141 -0.975 . . . . 0.47 109.879 -179.841 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.535 ' CZ ' ' HA3' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -74.57 129.28 37.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.436 -0.79 . . . . 2.1 109.136 179.614 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.452 ' HA2' ' NH2' ' A' ' 333' ' ' ARG . . . 116.72 129.86 4.39 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.583 -1.407 . . . . 0.42 109.583 -179.966 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -76.82 -57.58 3.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -1.172 . . . . 2.68 109.423 179.906 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.54 -44.36 89.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 2.22 109.323 179.848 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -44.07 95.94 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.325 -0.859 . . . . 2.77 109.405 179.996 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' C' ' 329' ' ' THR . 62.7 t80 -55.62 -53.23 59.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.417 -0.802 . . . . 0.43 109.749 -179.873 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.44 -37.21 36.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.329 -0.857 . . . . 1.66 110.035 -179.628 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.71 81.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.148 -0.97 . . . . 0.44 110.143 -179.514 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.02 -53.54 55.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.29 109.283 -179.94 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.91 -35.57 33.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.333 -0.854 . . . . 2.44 109.546 179.763 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -61.14 -51.14 70.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.74 109.952 -179.644 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.78 -35.01 75.37 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.196 -0.94 . . . . 0.3 109.019 -179.975 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.14 -53.65 55.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.468 -0.77 . . . . 1.22 109.448 179.586 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.99 -31.79 73.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.425 -0.797 . . . . 1.72 110.023 -179.697 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.76 -54.14 48.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.27 110.006 -179.704 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.07 -41.27 96.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.212 -0.93 . . . . 0.29 109.567 -179.745 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.42 -34.99 74.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.268 -0.895 . . . . 1.91 109.447 179.868 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.01 -46.66 80.42 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.349 -0.844 . . . . 0.41 109.521 -179.97 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.2 -40.97 95.94 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.911 -0.774 . . . . 1.56 108.911 179.813 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.3 -31.13 67.22 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.613 -0.679 . . . . 1.43 109.574 179.661 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.77 81.62 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.66 109.616 -179.673 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.35 -9.72 59.35 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.203 -0.936 . . . . 1.18 109.419 179.914 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.91 -50.72 21.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 1.23 109.453 179.729 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.08 13.82 52.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.892 -1.283 . . . . 1.54 109.892 -179.838 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.22 124.35 31.76 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.096 -1.238 . . . . 4.18 109.34 179.877 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.55 111.54 1.89 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 5.71 109.716 -179.762 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.1 153.51 63.97 Favored 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.004 1.803 . . . . 5.61 110.236 179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.039 -1.423 . . . . 7.24 109.579 179.98 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.429 -0.582 . . . . 7.34 109.429 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.78 94.28 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.926 . . . . 7.17 109.453 179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.531 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 57.23 60.78 6.79 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 6.44 109.484 -179.983 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.531 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -64.32 81.09 0.16 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.354 2.036 . . . . 4.54 110.683 -179.822 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 323' ' ' LEU . 53.7 mt -82.85 108.85 16.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.028 -1.045 . . . . 4.32 109.181 179.507 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.09 97.14 8.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.152 -0.968 . . . . 2.47 109.747 -179.696 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.571 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -75.41 150.43 40.23 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.062 -1.615 . . . . 0.95 109.062 179.558 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 27.8 mt-10 -60.65 121.47 12.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -1.169 . . . . 1.61 109.219 179.848 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 71.4 m-85 -95.63 146.3 24.59 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.164 -0.96 . . . . 0.57 109.713 -179.957 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 81.8 m-85 -137.64 -173.29 3.45 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.213 -0.929 . . . . 0.53 109.408 179.876 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.528 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -152.51 164.71 37.05 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.132 -0.98 . . . . 0.38 109.305 -179.923 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.15 132.05 17.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.23 -0.919 . . . . 0.36 109.635 -179.639 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.54 127.76 34.54 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.261 -0.899 . . . . 1.36 109.083 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' B' ' 338' ' ' PHE . 39.9 mt -123.47 109.5 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.13 -0.982 . . . . 0.49 109.889 -179.834 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.506 ' CZ ' ' HA3' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -74.51 129.18 37.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.354 -0.841 . . . . 2.1 109.12 179.596 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' HA2' ' NH2' ' B' ' 333' ' ' ARG . . . 116.69 129.98 4.42 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.555 -1.418 . . . . 0.44 109.555 179.934 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.557 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.0 OUTLIER -76.88 -57.56 3.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -1.137 . . . . 2.72 109.36 179.996 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.57 -44.29 89.72 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 2.21 109.355 179.888 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -44.0 96.24 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.268 -0.895 . . . . 2.79 109.465 179.931 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.512 ' CE1' ' O ' ' D' ' 329' ' ' THR . 62.1 t80 -55.77 -53.11 60.64 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.333 -0.854 . . . . 0.45 109.71 -179.859 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.57 -37.21 38.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.348 -0.845 . . . . 1.68 109.894 -179.548 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.01 -47.67 82.08 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.027 -1.046 . . . . 0.43 110.097 -179.487 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -61.03 -53.55 55.81 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.15 -0.968 . . . . 0.28 109.306 -179.921 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.96 -35.51 33.98 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.842 . . . . 2.52 109.521 179.773 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -61.14 -51.12 70.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 1.75 110.005 -179.685 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.77 -34.98 75.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.216 -0.927 . . . . 0.31 109.073 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.2 -53.63 56.12 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.793 . . . . 1.21 109.485 179.643 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -62.93 -31.84 73.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.499 -0.75 . . . . 1.69 110.013 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.644 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.73 -54.18 48.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.186 -0.946 . . . . 0.27 109.938 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.04 -41.36 96.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.251 -0.906 . . . . 0.3 109.509 -179.662 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.22 -35.07 74.6 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.293 -0.879 . . . . 1.93 109.463 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.07 -46.57 80.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.379 -0.825 . . . . 0.4 109.505 -179.855 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -61.23 -41.02 96.15 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.368 -0.832 . . . . 1.59 108.878 179.859 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -31.06 66.98 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.613 -0.679 . . . . 1.43 109.668 179.642 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.79 -45.7 81.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.329 -0.857 . . . . 0.65 109.557 -179.679 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.42 -9.65 59.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.242 -0.911 . . . . 1.19 109.429 179.916 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.91 -50.69 22.1 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.367 -0.833 . . . . 1.22 109.474 179.684 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.11 13.83 52.54 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.843 -1.303 . . . . 1.53 109.843 -179.81 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.37 124.4 31.93 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.074 -1.251 . . . . 4.21 109.261 179.956 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.49 111.36 1.8 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.278 -0.889 . . . . 5.68 109.763 -179.8 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.96 153.43 63.78 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 C-N-CA 122.186 1.924 . . . . 5.57 110.229 179.847 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.019 -1.434 . . . . 7.2 109.535 179.917 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.75 94.36 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.215 -0.928 . . . . 8.15 109.434 179.989 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.537 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 57.16 60.9 6.8 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 7.15 109.469 -179.973 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.537 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -64.51 81.11 0.17 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.355 2.037 . . . . 4.35 110.631 -179.791 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' C' ' 323' ' ' LEU . 52.9 mt -82.82 108.93 16.53 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.054 -1.029 . . . . 4.63 109.12 179.509 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.04 96.73 7.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.157 -0.965 . . . . 2.85 109.882 -179.81 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -74.59 150.41 41.58 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.351 -1.5 . . . . 1.12 109.351 179.277 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.402 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 27.8 mt-10 -60.78 121.49 12.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -1.182 . . . . 2.11 109.208 179.659 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 72.1 m-85 -95.65 146.42 24.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.157 -0.965 . . . . 0.64 109.586 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 81.6 m-85 -137.73 -173.22 3.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.248 -0.907 . . . . 0.49 109.332 179.885 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.49 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.0 p -152.52 164.72 37.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.189 -0.944 . . . . 0.47 109.218 -179.872 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -148.21 131.99 16.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.198 -0.939 . . . . 0.42 109.672 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -85.55 127.81 34.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.327 -0.858 . . . . 1.81 109.1 179.771 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.439 HD12 ' CD1' ' C' ' 338' ' ' PHE . 40.9 mt -123.56 109.53 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.42 109.855 -179.804 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -74.51 129.25 37.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 2.35 109.209 179.633 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' C' ' 333' ' ' ARG . . . 116.72 129.88 4.39 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.668 -1.373 . . . . 0.41 109.668 -179.93 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.0 OUTLIER -76.95 -57.47 3.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -1.142 . . . . 2.59 109.386 -179.988 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.53 -44.4 89.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 2.54 109.314 179.846 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -44.12 95.95 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.36 -0.838 . . . . 3.39 109.321 -179.937 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.514 ' CE1' ' O ' ' A' ' 329' ' ' THR . 62.1 t80 -55.66 -53.23 59.09 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.391 -0.818 . . . . 0.47 109.719 -179.783 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.34 -37.31 36.2 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -0.907 . . . . 1.66 110.024 -179.675 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -63.08 -47.55 82.41 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.029 -1.044 . . . . 0.61 110.082 -179.43 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -61.15 -53.54 55.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.243 -0.911 . . . . 0.33 109.197 -179.839 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.97 -35.53 34.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.334 -0.854 . . . . 3.28 109.502 179.792 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.16 -51.15 70.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.158 -0.964 . . . . 1.78 109.868 -179.645 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.88 -34.95 75.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.287 -0.883 . . . . 0.38 109.068 -179.957 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -59.07 -53.67 55.74 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.394 -0.816 . . . . 1.2 109.47 179.508 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.95 -31.84 73.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -0.839 . . . . 2.12 109.982 -179.677 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.79 -54.11 49.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.178 -0.951 . . . . 0.26 110.024 -179.641 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.1 -41.31 96.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -0.919 . . . . 0.4 109.538 -179.725 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -60.17 -35.15 74.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 2.09 109.538 179.775 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.06 -46.66 80.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.282 -0.886 . . . . 0.75 109.484 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.17 -40.87 95.52 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.439 -0.788 . . . . 2.19 108.998 179.815 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -31.09 67.19 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.602 -0.686 . . . . 1.34 109.603 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.84 81.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.398 -0.814 . . . . 0.72 109.563 -179.655 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.37 -9.66 59.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 1.8 109.419 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.92 -50.82 21.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -0.871 . . . . 1.39 109.367 179.712 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 13.71 52.85 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.86 -1.296 . . . . 1.66 109.86 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.2 124.47 31.88 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.183 -1.186 . . . . 4.45 109.277 179.904 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.58 111.48 1.87 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.387 -0.821 . . . . 6.19 109.746 -179.799 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.04 153.49 63.79 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.087 1.858 . . . . 5.58 110.255 179.853 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 CA-C-O 117.975 -1.458 . . . . 6.9 109.542 179.919 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.451 -0.574 . . . . 7.36 109.451 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttp 60.69 94.3 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.859 . . . . 7.15 109.456 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 57.23 60.83 6.77 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 6.5 109.506 -179.981 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.2 Cg_endo -64.39 81.13 0.16 Allowed 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.355 2.037 . . . . 4.5 110.585 -179.768 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' D' ' 323' ' ' LEU . 52.8 mt -82.85 108.97 16.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.018 . . . . 4.32 109.102 179.436 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.16 96.8 7.94 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.15 -0.969 . . . . 2.46 109.808 -179.766 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.574 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -74.7 150.43 41.42 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.345 -1.502 . . . . 0.97 109.345 179.283 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.409 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 27.9 mt-10 -60.82 121.41 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.163 -1.198 . . . . 1.67 109.281 179.713 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 71.3 m-85 -95.4 146.25 24.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -0.976 . . . . 0.61 109.757 -179.963 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 81.6 m-85 -137.6 -173.21 3.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.56 109.38 179.853 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.512 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.0 p -152.56 164.67 37.18 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.198 -0.938 . . . . 0.43 109.294 -179.902 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.21 132.05 17.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.35 109.581 -179.664 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -85.55 127.75 34.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.328 -0.857 . . . . 1.37 109.079 179.797 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' D' ' 338' ' ' PHE . 40.5 mt -123.51 109.46 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.214 -0.929 . . . . 0.48 109.814 -179.736 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.482 ' CZ ' ' HA3' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -74.49 129.23 37.36 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.402 -0.811 . . . . 2.08 109.158 179.592 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.451 ' HA2' ' NH2' ' D' ' 333' ' ' ARG . . . 116.7 129.9 4.4 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.68 -1.368 . . . . 0.4 109.68 -179.975 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -76.87 -57.61 3.75 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.246 -1.15 . . . . 2.64 109.397 -179.971 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -58.5 -44.45 89.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 2.22 109.275 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.04 95.93 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.403 -0.811 . . . . 2.74 109.451 -179.983 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.528 ' CE1' ' O ' ' B' ' 329' ' ' THR . 62.3 t80 -55.65 -53.21 59.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.376 -0.828 . . . . 0.43 109.697 -179.88 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -50.47 -37.26 37.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 1.69 109.997 -179.615 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.7 ttp -62.94 -47.73 81.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.175 -0.953 . . . . 0.43 110.108 -179.523 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -61.04 -53.54 55.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.224 -0.922 . . . . 0.27 109.258 -179.853 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -50.89 -35.62 33.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.312 -0.868 . . . . 2.45 109.558 179.707 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.09 -51.14 70.38 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.244 -0.91 . . . . 1.75 109.906 -179.617 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' D' ' 344' ' ' LEU . 82.7 mt -60.87 -35.01 75.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.131 -0.98 . . . . 0.31 108.992 -179.909 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -59.08 -53.64 56.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.817 . . . . 1.22 109.529 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -62.92 -31.9 73.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.451 -0.781 . . . . 1.73 109.996 -179.763 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.742 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.74 -54.22 47.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.153 -0.967 . . . . 0.28 109.949 -179.605 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.99 -41.3 96.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.248 -0.907 . . . . 0.31 109.594 -179.73 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -60.24 -35.03 74.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.328 -0.858 . . . . 1.91 109.525 179.779 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.1 tp -65.12 -46.63 80.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.288 -0.883 . . . . 0.43 109.434 -179.87 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -61.16 -41.0 95.98 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.327 -0.858 . . . . 1.57 108.915 179.866 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.35 -31.09 67.27 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.687 -0.633 . . . . 1.44 109.576 179.7 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.91 81.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.302 -0.874 . . . . 0.64 109.587 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -82.31 -9.77 59.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.895 . . . . 1.21 109.396 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.84 -50.77 21.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 1.22 109.401 179.749 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.07 13.76 52.76 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.852 -1.299 . . . . 1.5 109.852 -179.786 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -85.19 124.43 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.104 -1.233 . . . . 4.18 109.307 179.889 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -48.69 111.52 1.91 Allowed Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.39 -0.818 . . . . 5.67 109.634 -179.726 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.97 153.44 63.85 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 122.039 1.826 . . . . 5.65 110.301 179.752 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.461 -1.455 . . . . 7.27 109.461 179.939 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.268 0.556 . . . . 7.33 109.51 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.627 ' C ' ' HD2' ' A' ' 322' ' ' PRO . 30.2 tttm 62.99 133.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.229 -0.919 . . . . 7.21 109.566 179.885 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.66 ' HB3' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 99.18 -59.15 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.4 0 CA-C-O 118.671 -0.681 . . . . 6.47 111.97 -179.769 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 321' ' ' LYS . 3.0 Cg_exo -63.95 116.42 3.69 Favored 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 120.684 0.922 . . . . 4.53 110.217 -179.466 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 323' ' ' LEU . 40.1 mt -81.11 125.86 30.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.367 -0.833 . . . . 4.35 109.355 179.926 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.95 -162.51 0.44 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 2.48 109.363 179.985 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.26 163.16 48.83 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.431 -1.468 . . . . 0.98 109.431 -179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.23 141.75 49.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -1.155 . . . . 1.7 109.454 -179.961 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.1 156.85 16.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.61 109.374 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 68.1 m-85 -139.0 -169.77 2.71 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.58 109.514 -179.934 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 67.8 p -153.94 157.02 38.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.173 -0.954 . . . . 0.42 109.403 -179.778 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.16 134.09 18.01 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.36 109.409 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 4.1 tt0 -86.38 132.28 34.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -0.852 . . . . 1.37 109.583 -179.978 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.588 HD13 ' HB2' ' A' ' 341' ' ' PHE . 33.8 mt -123.82 117.37 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.47 109.46 179.728 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.4 147.46 44.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.27 -0.893 . . . . 2.1 109.673 179.984 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.32 138.81 8.05 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.814 -1.314 . . . . 0.42 109.814 179.718 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.48 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.0 ttt180 -81.36 -52.45 7.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.338 -1.095 . . . . 2.68 109.482 179.903 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.62 85.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.387 -0.821 . . . . 2.22 109.482 179.908 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.68 -40.82 93.55 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.323 -0.861 . . . . 2.77 109.478 -179.941 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.546 ' CD1' HD12 ' A' ' 332' ' ' ILE . 46.2 t80 -55.02 -56.46 19.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.887 . . . . 0.43 109.495 179.94 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.51 -33.43 31.59 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.313 -0.867 . . . . 1.66 109.713 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.439 ' CG ' ' SD ' ' D' ' 340' ' ' MET . 10.2 ttp -63.3 -50.84 68.49 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.184 -0.947 . . . . 0.44 110.036 -179.614 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 332' ' ' ILE . 34.2 m-85 -60.87 -53.99 50.51 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.225 -0.922 . . . . 0.29 109.225 -179.853 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.93 -34.69 29.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.297 -0.877 . . . . 2.44 109.616 179.922 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.24 -51.37 69.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.181 -0.949 . . . . 1.74 109.741 -179.799 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' B' ' 344' ' ' LEU . 70.9 mt -60.88 -34.06 74.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.2 -0.938 . . . . 0.3 109.057 179.933 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.46 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.3 t-20 -59.5 -52.99 63.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.405 -0.809 . . . . 1.22 109.702 179.718 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.67 -34.44 77.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 1.72 110.027 -179.579 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.09 -51.76 68.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 0.27 110.073 -179.471 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.23 -42.13 98.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.865 . . . . 0.29 109.755 -179.577 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.48 78.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 1.91 109.731 -179.925 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.491 HD21 ' NE2' ' B' ' 354' ' ' GLN . 16.3 tp -64.55 -42.7 95.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.885 . . . . 0.41 109.694 -179.794 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -62.17 -42.88 99.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.35 -0.844 . . . . 1.56 109.242 -179.944 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.36 -40.08 73.95 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.485 -0.759 . . . . 1.43 109.83 179.975 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.39 81.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.66 109.667 -179.701 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.486 ' NE2' ' NE2' ' B' ' 354' ' ' GLN . 1.6 mt-30 -81.19 -0.98 42.87 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.276 -0.89 . . . . 1.18 109.762 -179.869 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.71 -86.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.164 -0.96 . . . . 1.23 109.38 -179.943 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.42 96.54 1.75 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.61 -1.396 . . . . 1.54 109.61 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.98 137.89 31.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.372 -1.075 . . . . 4.18 109.486 179.824 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -48.66 108.24 0.91 Allowed Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.227 -0.921 . . . . 5.71 109.325 179.899 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.58 123.78 14.06 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 121.941 1.761 . . . . 5.61 110.357 -179.834 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.497 -1.441 . . . . 7.24 109.497 179.928 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' B' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.438 -0.578 . . . . 7.34 109.438 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.648 ' C ' ' HD2' ' B' ' 322' ' ' PRO . 30.3 tttm 62.81 133.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.254 -0.904 . . . . 7.17 109.7 -180.0 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.659 ' HB3' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 99.12 -59.09 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.311 0 CA-C-O 118.643 -0.694 . . . . 6.44 112.007 -179.731 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' B' ' 321' ' ' LYS . 3.0 Cg_exo -63.96 116.28 3.61 Favored 'Trans proline' 0 C--N 1.32 -0.934 0 C-N-CA 120.724 0.949 . . . . 4.54 110.297 -179.568 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' B' ' 323' ' ' LEU . 40.3 mt -80.97 125.74 30.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.284 -0.885 . . . . 4.32 109.382 179.941 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.95 -162.69 0.46 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.929 . . . . 2.47 109.308 179.959 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.01 163.13 48.14 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.459 -1.456 . . . . 0.95 109.459 -179.961 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.23 141.85 49.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.201 -1.176 . . . . 1.61 109.386 -179.957 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.409 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 12.6 m-85 -93.08 156.83 16.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.253 -0.904 . . . . 0.57 109.389 179.884 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 68.6 m-85 -138.96 -169.69 2.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.241 -0.912 . . . . 0.53 109.565 -179.956 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.494 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 68.2 p -154.09 156.85 38.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.175 -0.953 . . . . 0.38 109.593 -179.836 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.3 tp -149.08 134.12 18.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.36 109.427 -179.746 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -86.49 132.4 33.94 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.367 -0.833 . . . . 1.36 109.465 -179.912 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.587 HD13 ' HB2' ' B' ' 341' ' ' PHE . 33.8 mt -123.92 117.44 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.49 109.384 179.787 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.57 147.45 43.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.39 -0.819 . . . . 2.1 109.624 -179.953 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.35 138.87 8.1 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.858 -1.297 . . . . 0.44 109.858 179.769 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 37.9 ttt180 -81.51 -52.41 7.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.298 -1.119 . . . . 2.72 109.44 179.928 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -46.69 85.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.354 -0.841 . . . . 2.21 109.425 179.935 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.498 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 3.1 ttm180 -60.46 -40.99 93.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.274 -0.891 . . . . 2.79 109.439 -179.969 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.547 ' CD1' HD12 ' B' ' 332' ' ' ILE . 46.3 t80 -54.94 -56.48 19.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.323 -0.861 . . . . 0.45 109.489 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.58 -33.34 32.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.33 -0.856 . . . . 1.68 109.671 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -63.34 -50.78 68.64 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.249 -0.907 . . . . 0.43 110.001 -179.569 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' B' ' 332' ' ' ILE . 34.2 m-85 -60.91 -53.97 50.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.214 -0.929 . . . . 0.28 109.237 -179.805 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -50.92 -34.75 29.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.384 -0.822 . . . . 2.52 109.595 179.862 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.3 -51.29 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.12 -0.987 . . . . 1.75 109.702 -179.725 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 344' ' ' LEU . 71.5 mt -60.93 -34.02 74.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.198 -0.939 . . . . 0.31 109.046 179.872 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.511 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.3 t-20 -59.44 -53.22 60.68 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.391 -0.818 . . . . 1.21 109.633 179.663 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.64 -34.39 76.96 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.39 -0.819 . . . . 1.69 110.031 -179.444 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -51.75 68.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.22 -0.925 . . . . 0.27 110.095 -179.557 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.22 -42.08 97.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.3 109.772 -179.607 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.44 78.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.289 -0.882 . . . . 1.93 109.738 -179.91 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.439 HD21 ' NE2' ' A' ' 354' ' ' GLN . 16.3 tp -64.55 -42.77 95.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 0.4 109.634 -179.813 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 12.9 ttmt -62.08 -42.97 99.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.387 -0.821 . . . . 1.59 109.274 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.4 -39.97 73.9 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.561 -0.712 . . . . 1.43 109.881 179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.37 81.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.308 -0.87 . . . . 0.65 109.659 -179.775 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.491 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.6 mt-30 -81.19 -1.01 42.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.232 -0.917 . . . . 1.19 109.796 -179.834 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.54 -86.15 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.106 -0.996 . . . . 1.22 109.522 179.928 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.47 96.49 1.75 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.532 -1.427 . . . . 1.53 109.532 -179.998 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.97 137.89 31.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -1.179 . . . . 4.21 109.463 179.83 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -48.71 108.28 0.92 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.183 -0.948 . . . . 5.68 109.348 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.55 123.76 14.03 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.029 1.819 . . . . 5.57 110.35 -179.831 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.992 -1.449 . . . . 7.2 109.521 179.95 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' C' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.525 -0.546 . . . . 8.96 109.525 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.635 ' C ' ' HD2' ' C' ' 322' ' ' PRO . 30.3 tttm 62.98 133.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.304 -0.872 . . . . 8.15 109.556 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.649 ' HB3' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 99.16 -59.16 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.354 0 CA-C-O 118.698 -0.668 . . . . 7.15 112.025 -179.787 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.649 ' HD3' ' HB3' ' C' ' 321' ' ' LYS . 3.0 Cg_exo -63.87 116.38 3.65 Favored 'Trans proline' 0 C--N 1.323 -0.809 0 C-N-CA 120.671 0.914 . . . . 4.35 110.224 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' C' ' 323' ' ' LEU . 40.1 mt -81.1 125.84 30.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 4.63 109.37 179.835 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.84 -162.5 0.43 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.292 -0.88 . . . . 2.85 109.352 179.942 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 163.18 48.67 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.408 -1.477 . . . . 1.12 109.408 179.963 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 141.78 49.98 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.168 -1.196 . . . . 2.11 109.391 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 12.7 m-85 -93.06 156.93 16.57 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 0.64 109.394 179.886 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 68.8 m-85 -139.04 -169.81 2.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.231 -0.918 . . . . 0.49 109.565 -179.91 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.448 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 67.3 p -153.99 157.02 38.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.47 109.442 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.12 133.97 17.94 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.213 -0.929 . . . . 0.42 109.351 -179.665 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 4.1 tt0 -86.34 132.37 33.98 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.321 -0.862 . . . . 1.81 109.584 179.951 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.586 HD13 ' HB2' ' C' ' 341' ' ' PHE . 33.5 mt -123.87 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.268 -0.895 . . . . 0.42 109.351 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.61 147.52 43.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.21 -0.931 . . . . 2.35 109.58 179.986 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.42 138.84 8.11 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.816 -1.314 . . . . 0.41 109.816 179.783 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.0 ttt180 -81.46 -52.41 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.357 -1.084 . . . . 2.59 109.463 179.813 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -46.65 85.35 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.348 -0.845 . . . . 2.54 109.444 179.942 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.64 -40.91 93.72 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.248 -0.908 . . . . 3.39 109.451 -179.915 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.54 ' CD1' HD12 ' C' ' 332' ' ' ILE . 46.0 t80 -55.01 -56.37 20.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -0.791 . . . . 0.47 109.46 -179.97 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -51.62 -33.42 33.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.922 . . . . 1.66 109.569 -179.902 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.2 ttp -63.35 -50.78 68.61 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.277 -0.889 . . . . 0.61 110.051 -179.554 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.586 ' HB2' HD13 ' C' ' 332' ' ' ILE . 34.3 m-85 -60.93 -53.91 51.5 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.284 -0.885 . . . . 0.33 109.253 -179.896 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -51.06 -34.68 30.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.403 -0.811 . . . . 3.28 109.61 179.957 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.21 -51.32 70.05 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.197 -0.94 . . . . 1.78 109.731 -179.758 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' D' ' 344' ' ' LEU . 70.8 mt -60.85 -34.06 74.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.241 -0.912 . . . . 0.38 109.13 179.818 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.3 t-20 -59.43 -53.12 61.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.282 -0.886 . . . . 1.2 109.682 179.692 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.74 -34.3 76.9 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.405 -0.81 . . . . 2.12 110.006 -179.498 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.14 -51.8 68.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.155 -0.966 . . . . 0.26 110.014 -179.524 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.18 -42.16 98.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.4 109.76 -179.552 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -37.49 78.52 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 2.09 109.75 -179.972 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.546 HD21 ' NE2' ' D' ' 354' ' ' GLN . 16.3 tp -64.54 -42.77 95.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.75 109.702 -179.843 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . 12.9 ttmt -61.99 -43.06 99.64 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 2.19 109.27 179.983 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -56.38 -39.96 73.79 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.633 -0.667 . . . . 1.34 109.857 -179.979 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.44 81.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.72 109.711 -179.769 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.541 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.6 mt-30 -81.13 -0.96 42.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.8 109.754 -179.855 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.028 -1.045 . . . . 1.39 109.444 179.956 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.39 96.49 1.75 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.569 -1.413 . . . . 1.66 109.569 -179.951 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.93 137.84 31.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.292 -1.122 . . . . 4.45 109.492 179.854 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.64 108.18 0.9 Allowed Pre-proline 0 N--CA 1.489 1.52 0 O-C-N 121.134 -0.979 . . . . 6.19 109.364 179.886 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -59.62 123.76 14.0 Favored 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 121.941 1.761 . . . . 5.58 110.321 -179.761 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.479 -1.448 . . . . 6.9 109.479 179.919 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' D' ' 320' ' ' LYS . 1.8 mttt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.46 -0.571 . . . . 7.36 109.46 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.636 ' C ' ' HD2' ' D' ' 322' ' ' PRO . 30.2 tttm 63.02 133.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.28 -0.888 . . . . 7.15 109.629 179.91 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.651 ' HB3' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 99.25 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.303 0 CA-C-O 118.62 -0.705 . . . . 6.5 111.965 -179.791 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -63.97 116.39 3.67 Favored 'Trans proline' 0 C--N 1.322 -0.856 0 C-N-CA 120.746 0.964 . . . . 4.5 110.208 -179.508 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 40.5 mt -81.03 125.78 30.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 4.32 109.417 179.829 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -79.86 -162.5 0.44 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 2.46 109.47 179.876 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.21 163.13 48.7 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.428 -1.469 . . . . 0.97 109.428 -179.999 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.31 141.88 49.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -1.156 . . . . 1.67 109.411 -179.932 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.7 m-85 -93.07 156.92 16.57 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.61 109.338 179.972 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 68.6 m-85 -139.09 -169.85 2.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.25 -0.907 . . . . 0.56 109.574 -179.939 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.42 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 67.8 p -153.93 157.02 38.56 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.43 109.484 -179.891 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.08 134.13 18.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.882 . . . . 0.35 109.379 -179.729 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.471 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 4.1 tt0 -86.56 132.36 33.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.243 -0.911 . . . . 1.37 109.53 -179.953 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' D' ' 341' ' ' PHE . 34.0 mt -123.85 117.43 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.242 -0.911 . . . . 0.48 109.399 179.825 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -73.54 147.39 44.02 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.316 -0.865 . . . . 2.08 109.581 -179.946 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.36 138.72 8.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.837 -1.305 . . . . 0.4 109.837 179.72 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.453 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.0 ttt180 -81.37 -52.34 7.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.326 -1.102 . . . . 2.64 109.461 179.945 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.36 -46.57 86.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.351 -0.843 . . . . 2.22 109.519 179.932 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -60.66 -40.85 93.58 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.277 -0.889 . . . . 2.74 109.431 -179.987 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CD1' HD12 ' D' ' 332' ' ' ILE . 46.3 t80 -54.97 -56.48 19.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.352 -0.842 . . . . 0.43 109.454 179.974 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -51.65 -33.23 32.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.447 -0.783 . . . . 1.69 109.63 -179.9 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.439 ' SD ' ' CG ' ' A' ' 340' ' ' MET . 10.1 ttp -63.3 -50.92 68.18 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.281 -0.887 . . . . 0.43 110.042 -179.619 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.576 ' HB2' HD13 ' D' ' 332' ' ' ILE . 34.5 m-85 -60.86 -53.82 52.7 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.27 109.391 -179.871 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -51.05 -34.79 31.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.427 -0.796 . . . . 2.45 109.6 179.817 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.1 -51.46 69.52 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.139 -0.976 . . . . 1.75 109.814 -179.901 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.403 HD22 HD22 ' C' ' 344' ' ' LEU . 70.4 mt -60.76 -34.05 73.87 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.205 -0.934 . . . . 0.31 109.099 179.829 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.4 t-20 -59.46 -53.16 61.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.379 -0.826 . . . . 1.22 109.656 179.774 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -62.63 -34.38 76.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.4 -0.812 . . . . 1.73 110.049 -179.532 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.671 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.1 -51.81 68.03 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.201 -0.937 . . . . 0.28 110.026 -179.54 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.498 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 41.4 mt -61.2 -42.06 97.92 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.304 -0.873 . . . . 0.31 109.764 -179.552 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.6 -37.52 78.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.362 -0.836 . . . . 1.91 109.721 -179.95 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.541 HD21 ' NE2' ' C' ' 354' ' ' GLN . 16.3 tp -64.55 -42.86 95.43 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.262 -0.899 . . . . 0.43 109.604 -179.804 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . 12.9 ttmt -61.98 -42.96 99.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.349 -0.844 . . . . 1.57 109.316 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.32 -40.04 73.75 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.493 -0.755 . . . . 1.44 109.919 179.895 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.34 -43.46 81.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.24 -0.913 . . . . 0.64 109.716 -179.809 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.546 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.7 mt-30 -81.16 -0.97 42.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.191 -0.943 . . . . 1.21 109.796 -179.823 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.6 -86.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.082 -1.011 . . . . 1.22 109.512 179.934 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.34 96.46 1.74 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.71 -1.356 . . . . 1.5 109.71 179.855 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -87.99 137.83 31.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.173 -1.192 . . . . 4.18 109.418 179.948 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -48.71 108.2 0.9 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.174 -0.954 . . . . 5.67 109.396 179.926 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -59.54 123.82 14.16 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.915 1.744 . . . . 5.65 110.359 -179.793 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.46 -1.456 . . . . 7.27 109.46 179.966 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.481 -0.563 . . . . 7.33 109.481 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.96 -155.2 0.34 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.906 . . . . 7.21 109.493 -179.981 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.2 70.92 0.69 Allowed Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 6.47 109.656 -179.876 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.12 -159.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.215 1.943 . . . . 4.53 110.224 179.842 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 16.0 mt -80.19 123.09 27.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.257 -0.902 . . . . 4.35 109.232 179.881 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.38 104.51 10.97 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.227 -0.921 . . . . 2.48 109.995 -179.482 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.58 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -70.98 169.21 49.22 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.173 -1.571 . . . . 0.98 109.173 179.217 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.36 123.44 17.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.057 -1.26 . . . . 1.7 109.469 179.778 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 32.6 m-85 -94.62 155.13 17.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.158 -0.964 . . . . 0.61 109.698 -179.913 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.5 m-85 -140.2 -176.84 4.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.34 -0.85 . . . . 0.58 109.29 179.805 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.491 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 64.4 p -152.44 156.25 39.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.171 -0.955 . . . . 0.42 109.531 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' C' ' 345' ' ' ASN . 15.0 tp -147.45 130.99 16.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.903 . . . . 0.36 109.517 -179.759 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 42.3 tt0 -86.43 131.41 34.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.298 -0.876 . . . . 1.37 109.508 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.658 HD12 ' CD1' ' A' ' 338' ' ' PHE . 31.9 mt -123.86 118.94 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.47 109.592 179.849 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.487 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.32 43.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.299 -0.876 . . . . 2.1 109.48 -179.993 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.78 131.12 3.88 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.739 -1.344 . . . . 0.42 109.739 179.762 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.5 ttt180 -76.85 -51.7 10.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.211 -1.17 . . . . 2.68 109.589 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 16.9 pt-20 -58.7 -41.76 87.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.228 -0.92 . . . . 2.22 109.444 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.836 ' NH1' HD22 ' C' ' 348' ' ' LEU . 8.4 tpp180 -63.13 -43.86 97.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.2 -0.938 . . . . 2.77 109.141 179.69 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.658 ' CD1' HD12 ' A' ' 332' ' ' ILE . 76.0 t80 -55.27 -46.82 76.12 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.432 -0.793 . . . . 0.43 109.599 179.945 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.98 -39.52 59.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.277 -0.889 . . . . 1.66 109.963 -179.617 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.57 -46.1 89.87 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.207 -0.933 . . . . 0.44 110.162 -179.259 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.454 ' HD2' HG21 ' A' ' 332' ' ' ILE . 20.5 m-85 -61.24 -49.82 75.57 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.111 -0.993 . . . . 0.29 109.419 -179.657 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -51.5 -43.02 62.09 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.309 -0.87 . . . . 2.44 109.718 179.858 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -59.97 -41.58 92.25 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.178 -0.951 . . . . 1.74 109.898 -179.631 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' B' ' 344' ' ' LEU . 35.0 mt -62.47 -46.36 88.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.3 109.635 -179.804 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.478 ' HB2' HD21 ' C' ' 330' ' ' LEU . 50.5 t30 -58.33 -43.64 88.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.29 -0.881 . . . . 1.22 109.777 179.964 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.86 -39.5 92.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.42 -0.8 . . . . 1.72 109.717 -179.758 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.16 -45.66 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.317 -0.865 . . . . 0.27 109.728 -179.837 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.898 HD22 ' NH1' ' C' ' 337' ' ' ARG . 53.6 mt -62.2 -44.19 97.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.326 -0.859 . . . . 0.29 109.685 -179.834 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.77 -37.7 76.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.317 -0.865 . . . . 1.91 109.446 -179.894 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.783 HD11 ' OE1' ' B' ' 354' ' ' GLN . 12.7 tp -63.49 -40.49 97.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 0.41 109.342 -179.956 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.482 ' HA ' HD22 ' B' ' 350' ' ' LEU . 8.7 ttmm -62.53 -51.19 68.38 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.394 -0.816 . . . . 1.56 109.089 179.845 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.29 -30.15 64.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.564 -0.71 . . . . 1.43 109.755 179.839 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.61 80.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.28 -0.888 . . . . 0.66 109.976 -179.51 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.736 ' OE1' HD11 ' B' ' 350' ' ' LEU . 1.2 mt-30 -83.6 -15.5 48.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 1.18 109.624 -179.694 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.96 -12.35 60.62 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.17 -0.956 . . . . 1.23 109.459 179.721 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.64 9.28 68.71 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 110.058 -1.217 . . . . 1.54 110.058 -179.737 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.46 97.27 10.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.216 -1.167 . . . . 4.18 109.692 -179.676 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.476 ' CB ' ' HD2' ' A' ' 359' ' ' PRO . 1.5 mt-10 -52.01 171.2 0.2 Allowed Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 5.71 109.596 179.712 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 358' ' ' GLU . 3.1 Cg_exo -61.57 131.09 34.17 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.148 1.899 . . . . 5.61 110.12 179.919 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.97 -1.461 . . . . 7.24 109.59 179.986 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.429 -0.582 . . . . 7.34 109.429 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.97 -155.09 0.34 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.258 -0.901 . . . . 7.17 109.506 -179.969 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.15 70.86 0.7 Allowed Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.289 -0.882 . . . . 6.44 109.635 -179.95 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -60.96 -159.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.287 1.991 . . . . 4.54 110.239 179.825 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.17 122.96 27.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.2 -0.938 . . . . 4.32 109.205 179.776 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.26 104.97 11.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.25 -0.906 . . . . 2.47 110.037 -179.648 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.81 169.36 50.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.027 -1.629 . . . . 0.95 109.027 179.417 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.32 123.37 17.06 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.077 -1.249 . . . . 1.61 109.402 179.947 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 32.6 m-85 -94.44 155.11 17.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.205 -0.934 . . . . 0.57 109.785 179.957 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.84 4.77 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.53 109.323 179.775 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 64.0 p -152.41 156.18 39.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.099 -1.001 . . . . 0.38 109.6 -179.671 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.49 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.9 tp -147.37 130.86 16.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.237 -0.914 . . . . 0.36 109.592 -179.73 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 42.3 tt0 -86.44 131.35 34.21 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.289 -0.882 . . . . 1.36 109.522 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.646 HD12 ' CD1' ' B' ' 338' ' ' PHE . 32.8 mt -123.84 118.99 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -0.921 . . . . 0.49 109.507 179.898 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.486 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 0.9 OUTLIER -73.48 148.35 43.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.282 -0.886 . . . . 2.1 109.555 179.909 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 131.33 3.91 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.728 -1.349 . . . . 0.44 109.728 179.816 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.581 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 61.6 ttt180 -77.05 -51.61 10.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.276 -1.132 . . . . 2.72 109.637 179.929 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.494 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 16.9 pt-20 -58.64 -41.76 86.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 2.21 109.49 179.942 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.83 ' NH1' HD22 ' D' ' 348' ' ' LEU . 8.4 tpp180 -63.15 -43.92 96.98 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.242 -0.911 . . . . 2.79 109.105 179.699 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.646 ' CD1' HD12 ' B' ' 332' ' ' ILE . 75.9 t80 -55.23 -46.97 75.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.468 -0.77 . . . . 0.45 109.547 179.938 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.91 -39.55 59.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.262 -0.899 . . . . 1.68 110.028 -179.62 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.55 -46.06 90.09 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.078 -1.014 . . . . 0.43 110.259 -179.299 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.453 ' HD2' HG21 ' B' ' 332' ' ' ILE . 20.2 m-85 -61.09 -49.98 75.13 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.043 -1.035 . . . . 0.28 109.404 -179.767 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.43 -43.09 61.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.384 -0.823 . . . . 2.52 109.683 179.903 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.91 -41.58 92.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.173 -0.955 . . . . 1.75 109.955 -179.646 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.788 HD22 HD22 ' A' ' 344' ' ' LEU . 35.2 mt -62.35 -46.53 88.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.355 -0.841 . . . . 0.31 109.657 -179.882 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 50.6 t30 -58.22 -43.86 87.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.367 -0.833 . . . . 1.21 109.694 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.65 -39.56 91.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.355 -0.841 . . . . 1.69 109.792 -179.711 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.868 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.2 -45.54 90.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.37 -0.831 . . . . 0.27 109.733 -179.785 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.842 HD22 ' NH1' ' D' ' 337' ' ' ARG . 54.2 mt -62.32 -44.18 97.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.255 -0.903 . . . . 0.3 109.599 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.76 -37.67 76.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.26 -0.9 . . . . 1.93 109.535 -179.961 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.736 HD11 ' OE1' ' A' ' 354' ' ' GLN . 12.6 tp -63.52 -40.41 96.98 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.379 -0.826 . . . . 0.4 109.434 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.408 ' HA ' HD22 ' A' ' 350' ' ' LEU . 8.8 ttmm -62.51 -51.27 68.09 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.322 -0.861 . . . . 1.59 109.141 179.741 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.19 64.35 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.567 -0.708 . . . . 1.43 109.71 179.844 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.57 80.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.65 109.994 -179.481 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.783 ' OE1' HD11 ' A' ' 350' ' ' LEU . 1.2 mt-30 -83.58 -15.32 49.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.271 -0.893 . . . . 1.19 109.765 -179.786 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.22 -12.09 60.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 1.22 109.46 179.734 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.8 9.39 68.84 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 110.086 -1.206 . . . . 1.53 110.086 -179.839 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.57 97.27 10.43 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.169 -1.195 . . . . 4.21 109.703 -179.671 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.475 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 1.5 mt-10 -52.04 171.13 0.2 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.353 -0.842 . . . . 5.68 109.566 179.792 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -61.48 130.97 33.79 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.065 1.843 . . . . 5.57 110.247 179.835 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.954 -1.47 . . . . 7.2 109.552 179.983 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.448 -0.575 . . . . 8.96 109.448 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.06 -155.24 0.33 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 8.15 109.521 -179.93 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.25 70.81 0.7 Allowed Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.194 -0.941 . . . . 7.15 109.643 -179.99 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.92 -158.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.174 1.916 . . . . 4.35 110.321 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.19 123.05 27.58 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.211 -0.93 . . . . 4.63 109.122 179.836 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.52 104.87 11.35 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 2.85 109.995 -179.578 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.579 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.37 169.37 49.75 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.083 -1.607 . . . . 1.12 109.083 179.376 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.38 123.34 17.0 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.12 -1.224 . . . . 2.11 109.483 179.79 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 32.7 m-85 -94.56 155.21 17.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.24 -0.913 . . . . 0.64 109.671 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.6 m-85 -140.32 -176.86 4.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.869 . . . . 0.49 109.289 179.853 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.532 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 62.9 p -152.47 156.23 39.03 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.12 -0.988 . . . . 0.47 109.592 -179.753 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.9 tp -147.39 131.0 16.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.311 -0.868 . . . . 0.42 109.553 -179.731 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 42.4 tt0 -86.5 131.37 34.2 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.81 109.499 179.985 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' C' ' 338' ' ' PHE . 32.0 mt -123.76 119.08 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.21 -0.931 . . . . 0.42 109.534 179.78 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.481 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 0.9 OUTLIER -73.54 148.33 43.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 2.35 109.499 179.822 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.68 131.46 3.94 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.671 -1.371 . . . . 0.41 109.671 179.765 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 61.6 ttt180 -77.08 -51.7 10.6 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.289 -1.124 . . . . 2.59 109.643 179.97 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 16.9 pt-20 -58.63 -41.69 86.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.214 -0.929 . . . . 2.54 109.513 179.948 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.898 ' NH1' HD22 ' A' ' 348' ' ' LEU . 8.4 tpp180 -63.2 -43.86 96.96 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.317 -0.865 . . . . 3.39 109.13 179.708 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' C' ' 332' ' ' ILE . 75.9 t80 -55.38 -46.74 76.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.432 -0.792 . . . . 0.47 109.574 179.933 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -52.01 -39.5 59.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.363 -0.835 . . . . 1.66 110.036 -179.687 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.62 -46.02 90.19 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.134 -0.979 . . . . 0.61 110.249 -179.321 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.455 ' CD2' HD13 ' C' ' 332' ' ' ILE . 20.3 m-85 -61.19 -49.91 75.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.33 109.441 -179.793 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.49 -43.03 62.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.449 -0.782 . . . . 3.28 109.698 179.897 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.85 -41.69 91.99 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.186 -0.946 . . . . 1.78 109.861 -179.705 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' D' ' 344' ' ' LEU . 35.2 mt -62.47 -46.37 88.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.213 -0.929 . . . . 0.38 109.643 -179.736 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.459 ' HB2' HD21 ' A' ' 330' ' ' LEU . 50.8 t30 -58.38 -43.77 88.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.394 -0.816 . . . . 1.2 109.737 -179.957 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.64 -39.56 91.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 2.12 109.751 -179.787 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.15 -45.74 90.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.865 . . . . 0.26 109.668 -179.803 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.836 HD22 ' NH1' ' A' ' 337' ' ' ARG . 54.1 mt -62.15 -44.16 97.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.4 109.674 -179.805 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.9 -37.55 76.88 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.287 -0.883 . . . . 2.09 109.552 -179.951 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.712 HD11 ' OE1' ' D' ' 354' ' ' GLN . 12.7 tp -63.55 -40.39 96.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.75 109.39 179.961 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -62.62 -51.17 68.35 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.456 -0.777 . . . . 2.19 109.089 179.799 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.21 -30.21 64.37 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.5 -0.75 . . . . 1.34 109.746 179.767 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.59 80.79 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.384 -0.823 . . . . 0.72 109.956 -179.399 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.673 ' OE1' HD11 ' D' ' 350' ' ' LEU . 1.2 mt-30 -83.59 -15.36 49.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.117 -0.989 . . . . 1.8 109.677 -179.715 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.05 -12.34 60.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 1.39 109.425 179.728 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.83 9.45 68.67 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.044 -1.223 . . . . 1.66 110.044 -179.693 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -86.56 97.28 10.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.057 -1.261 . . . . 4.45 109.752 -179.768 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.483 ' CB ' ' HD2' ' C' ' 359' ' ' PRO . 1.5 mt-10 -52.06 171.16 0.2 Allowed Pre-proline 0 N--CA 1.493 1.676 0 O-C-N 121.319 -0.863 . . . . 6.19 109.523 179.816 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' CB ' ' C' ' 358' ' ' GLU . 3.0 Cg_exo -61.43 130.98 33.91 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.204 1.936 . . . . 5.58 110.182 179.877 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.893 -1.504 . . . . 6.9 109.574 179.97 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.422 -0.585 . . . . 7.36 109.422 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.04 -155.24 0.33 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.208 -0.932 . . . . 7.15 109.512 179.921 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.25 70.89 0.69 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.234 -0.916 . . . . 6.5 109.641 -179.946 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -61.05 -159.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.35 2.033 . . . . 4.5 110.252 179.847 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.29 123.08 27.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.181 -0.95 . . . . 4.32 109.191 179.846 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -80.36 104.72 11.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.368 -0.833 . . . . 2.46 109.962 -179.48 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.35 169.29 49.81 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.044 -1.622 . . . . 0.97 109.044 179.347 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 123.35 17.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.111 -1.229 . . . . 1.67 109.4 179.821 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.577 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 32.3 m-85 -94.54 155.19 17.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.117 -0.99 . . . . 0.61 109.699 -179.958 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 96.6 m-85 -140.36 -176.9 4.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.56 109.295 179.842 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.506 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.0 p -152.35 156.28 39.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.979 . . . . 0.43 109.571 -179.717 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.9 tp -147.37 130.97 16.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.35 109.524 -179.733 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 42.4 tt0 -86.53 131.38 34.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.369 -0.832 . . . . 1.37 109.463 179.997 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.662 HD12 ' CD1' ' D' ' 338' ' ' PHE . 32.4 mt -123.84 119.02 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.288 -0.882 . . . . 0.48 109.461 179.872 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 333' ' ' ARG . 0.9 OUTLIER -73.52 148.38 43.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.376 -0.827 . . . . 2.08 109.575 179.815 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.7 131.55 3.98 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.732 -1.347 . . . . 0.4 109.732 179.853 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 61.8 ttt180 -77.19 -51.75 10.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.348 -1.089 . . . . 2.64 109.603 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 16.9 pt-20 -58.62 -41.79 86.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 2.22 109.457 179.972 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.842 ' NH1' HD22 ' B' ' 348' ' ' LEU . 8.4 tpp180 -63.19 -43.83 97.08 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.287 -0.883 . . . . 2.74 109.136 179.747 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.662 ' CD1' HD12 ' D' ' 332' ' ' ILE . 76.1 t80 -55.24 -46.87 76.01 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.43 109.626 179.882 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.9 -39.61 59.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.368 -0.833 . . . . 1.69 110.06 -179.722 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.161 -0.962 . . . . 0.43 110.313 -179.352 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CD2' HD13 ' D' ' 332' ' ' ILE . 20.3 m-85 -61.18 -49.88 75.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.27 109.362 -179.722 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -51.53 -43.05 62.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.356 -0.84 . . . . 2.45 109.702 179.95 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -59.9 -41.66 92.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.197 -0.939 . . . . 1.75 109.882 -179.662 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.844 HD22 HD22 ' C' ' 344' ' ' LEU . 35.1 mt -62.27 -46.59 88.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 0.31 109.63 -179.839 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.49 ' HB2' HD21 ' B' ' 330' ' ' LEU . 50.6 t30 -58.34 -43.7 88.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.852 . . . . 1.22 109.715 -179.87 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.77 -39.47 91.75 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.408 -0.808 . . . . 1.73 109.738 -179.765 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.937 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.2 -45.51 90.9 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.314 -0.866 . . . . 0.28 109.775 -179.835 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.83 HD22 ' NH1' ' B' ' 337' ' ' ARG . 54.3 mt -62.37 -44.15 97.15 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.31 109.627 -179.796 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.84 -37.65 76.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.271 -0.893 . . . . 1.91 109.468 -179.916 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.673 HD11 ' OE1' ' C' ' 354' ' ' GLN . 12.6 tp -63.51 -40.31 96.72 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.27 -0.894 . . . . 0.43 109.443 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -62.62 -51.2 68.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 1.57 109.095 179.769 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.25 -30.12 64.38 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.625 -0.672 . . . . 1.44 109.814 179.794 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.49 80.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.64 109.945 -179.454 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.712 ' OE1' HD11 ' C' ' 350' ' ' LEU . 1.2 mt-30 -83.62 -15.49 48.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.091 -1.006 . . . . 1.21 109.628 -179.733 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.03 -12.29 60.58 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.224 -0.923 . . . . 1.22 109.472 179.779 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 9.36 68.74 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.992 -1.243 . . . . 1.5 109.992 -179.708 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -86.61 97.42 10.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 4.18 109.665 -179.665 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.48 ' CB ' ' HD2' ' D' ' 359' ' ' PRO . 1.5 mt-10 -52.19 171.22 0.21 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.317 -0.864 . . . . 5.67 109.542 179.797 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.48 ' HD2' ' CB ' ' D' ' 358' ' ' GLU . 3.0 Cg_endo -61.45 131.01 33.99 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.114 1.876 . . . . 5.65 110.144 179.894 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 118.004 -1.442 . . . . 7.27 109.537 179.923 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.429 -0.582 . . . . 7.33 109.429 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.46 51.03 6.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 7.21 109.483 179.869 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.0 OUTLIER 56.84 68.49 2.11 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.171 -0.955 . . . . 6.47 109.475 179.878 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.1 Cg_endo -66.97 -4.55 11.62 Favored 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 122.145 1.896 . . . . 4.53 110.758 -179.928 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 45.3 mt -82.86 97.01 8.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.961 -1.087 . . . . 4.35 109.573 179.861 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.423 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 2.5 m-20 -82.25 -169.65 2.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 2.48 109.396 179.684 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.471 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.85 171.6 38.11 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.398 -1.481 . . . . 0.98 109.398 179.953 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.51 131.68 51.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -1.192 . . . . 1.7 109.516 -179.896 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 9.8 m-85 -94.78 155.37 16.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.141 -0.974 . . . . 0.61 109.673 179.975 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 76.2 m-85 -139.68 -169.36 2.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.336 -0.852 . . . . 0.58 109.325 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' C' ' 338' ' ' PHE . 11.9 p -153.34 162.94 40.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.42 109.693 -179.777 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.2 tp -149.39 133.56 17.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.294 -0.879 . . . . 0.36 109.479 -179.782 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.71 34.6 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.306 -0.871 . . . . 1.37 109.198 179.746 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 39.6 mt -123.89 114.36 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.914 . . . . 0.47 109.613 -179.787 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.53 150.8 41.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.226 -0.921 . . . . 2.1 109.295 179.789 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.02 130.01 4.53 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.692 -1.363 . . . . 0.42 109.692 179.751 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' CZ ' ' CB ' ' A' ' 335' ' ' ARG . 0.5 OUTLIER -78.12 -52.78 8.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.348 -1.089 . . . . 2.68 109.526 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.19 -48.29 80.78 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.251 -0.906 . . . . 2.22 109.426 179.874 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.85 -40.21 92.0 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.362 -0.836 . . . . 2.77 109.314 -179.983 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.466 ' CZ ' ' O ' ' C' ' 329' ' ' THR . 35.7 t80 -54.97 -55.36 31.63 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.47 -0.769 . . . . 0.43 109.554 -179.933 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.21 39.14 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.317 -0.864 . . . . 1.66 109.946 -179.885 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.42 -47.8 82.5 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.068 -1.02 . . . . 0.44 109.772 -179.648 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.42 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 20.3 m-85 -61.48 -47.29 86.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -0.918 . . . . 0.29 108.998 179.867 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 345' ' ' ASN . 0.0 OUTLIER -51.9 -39.95 59.9 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.395 -0.816 . . . . 2.44 109.684 179.823 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.8 -49.56 77.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.237 -0.915 . . . . 1.74 109.718 -179.64 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.86 -33.36 72.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.104 -0.998 . . . . 0.3 108.951 179.691 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.48 -55.21 37.47 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 1.22 109.434 179.64 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.72 -29.09 70.41 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.437 -0.789 . . . . 1.72 109.792 -179.953 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.32 -56.84 16.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.234 -0.917 . . . . 0.27 109.806 -179.661 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.421 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 22.2 mt -60.79 -38.14 84.31 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.302 -0.874 . . . . 0.29 109.434 -179.834 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.05 -37.23 76.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.22 -0.925 . . . . 1.91 109.402 179.781 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.721 HD11 HE21 ' B' ' 354' ' ' GLN . 11.9 tp -64.48 -40.56 95.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.307 -0.871 . . . . 0.41 109.309 179.941 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.52 -49.38 76.96 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.426 -0.796 . . . . 1.56 108.907 179.77 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.68 -29.8 62.74 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.619 -0.676 . . . . 1.43 109.462 179.584 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.41 83.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.865 . . . . 0.66 109.734 -179.687 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.709 HE21 HD11 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -83.09 -13.67 55.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 1.18 109.431 179.924 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.36 -21.56 60.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.268 -0.895 . . . . 1.23 109.093 179.567 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.93 20.23 21.3 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.974 -1.251 . . . . 1.54 109.974 179.867 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 39.99 0.87 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.117 -1.225 . . . . 4.18 109.71 -179.831 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.488 ' CG ' ' HD2' ' A' ' 359' ' ' PRO . 0.0 OUTLIER -51.03 171.48 0.17 Allowed Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.9 . . . . 5.71 109.443 179.925 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 358' ' ' GLU . 3.2 Cg_exo -61.45 141.41 91.99 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.095 1.864 . . . . 5.61 110.154 179.963 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.953 -1.47 . . . . 7.24 109.539 179.895 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.471 -0.566 . . . . 7.34 109.471 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.38 50.95 7.1 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.914 . . . . 7.17 109.571 179.925 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.0 OUTLIER 56.96 68.46 2.09 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.132 -0.98 . . . . 6.44 109.493 179.885 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.1 Cg_endo -66.9 -4.56 11.55 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.068 1.846 . . . . 4.54 110.79 -179.969 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 44.7 mt -82.97 97.04 8.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.973 -1.079 . . . . 4.32 109.486 179.995 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.43 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 2.5 m-20 -82.24 -169.85 2.62 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.328 -0.857 . . . . 2.47 109.456 179.649 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.463 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.66 171.49 37.63 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.478 -1.449 . . . . 0.95 109.478 179.882 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.44 131.7 51.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.186 -1.185 . . . . 1.61 109.478 -179.929 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 9.8 m-85 -94.79 155.45 16.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 0.57 109.682 179.982 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 76.4 m-85 -139.75 -169.38 2.7 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.327 -0.858 . . . . 0.53 109.286 179.864 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.467 ' O ' ' CZ ' ' D' ' 338' ' ' PHE . 12.0 p -153.28 163.05 40.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.38 109.648 -179.745 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.2 tp -149.54 133.47 17.05 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.229 -0.919 . . . . 0.36 109.498 -179.896 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.66 127.74 34.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.295 -0.878 . . . . 1.36 109.16 179.846 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 39.4 mt -123.89 114.39 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.149 -0.969 . . . . 0.49 109.718 -179.927 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.43 150.74 41.48 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.283 -0.886 . . . . 2.1 109.423 179.719 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.13 129.93 4.55 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.777 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.578 ' CB ' ' CZ ' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -78.08 -52.79 8.21 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.408 -1.054 . . . . 2.72 109.46 179.949 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.16 -48.46 80.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 2.21 109.388 179.912 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -60.72 -40.23 91.57 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.262 -0.899 . . . . 2.79 109.359 -179.934 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' D' ' 329' ' ' THR . 35.4 t80 -54.88 -55.42 30.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.42 -0.8 . . . . 0.45 109.581 -179.972 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -51.84 -34.2 39.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.342 -0.849 . . . . 1.68 109.842 -179.864 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.41 -47.82 82.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.16 -0.962 . . . . 0.43 109.737 -179.587 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 20.4 m-85 -61.48 -47.15 87.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.26 -0.9 . . . . 0.28 109.152 179.832 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' B' ' 345' ' ' ASN . 0.0 OUTLIER -52.07 -39.89 60.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.426 -0.796 . . . . 2.52 109.687 179.812 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.67 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.234 -0.916 . . . . 1.75 109.696 -179.725 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.75 -33.49 73.01 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.064 -1.022 . . . . 0.31 108.974 179.769 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.491 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.31 -55.33 36.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.483 -0.761 . . . . 1.21 109.425 179.643 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.17 70.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.358 -0.839 . . . . 1.69 109.8 -179.854 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.728 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.21 -56.83 16.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.27 109.888 -179.724 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 22.2 mt -60.81 -38.1 84.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.853 . . . . 0.3 109.342 -179.827 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.09 -37.28 76.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.876 . . . . 1.93 109.36 179.817 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.709 HD11 HE21 ' A' ' 354' ' ' GLN . 11.9 tp -64.49 -40.5 95.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 0.4 109.351 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.45 76.78 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.435 -0.79 . . . . 1.59 108.935 179.708 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.63 -29.79 62.58 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.592 -0.692 . . . . 1.43 109.49 179.544 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.89 -36.5 83.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.65 109.621 -179.634 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.721 HE21 HD11 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -83.04 -13.58 55.57 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.12 -0.988 . . . . 1.19 109.475 179.937 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.4 -21.61 60.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.199 -0.938 . . . . 1.22 109.104 179.549 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.86 20.2 21.2 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.926 -1.27 . . . . 1.53 109.926 179.924 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 39.89 0.86 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.024 -1.28 . . . . 4.21 109.783 -179.813 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.481 ' CB ' ' HD2' ' B' ' 359' ' ' PRO . 0.0 OUTLIER -50.96 171.43 0.16 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 5.68 109.523 179.903 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -61.34 141.41 92.53 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.152 1.901 . . . . 5.57 110.209 179.9 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 CA-C-O 118.013 -1.437 . . . . 7.2 109.57 -179.999 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.404 -0.591 . . . . 8.96 109.404 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.44 50.99 6.96 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.206 -0.934 . . . . 8.15 109.58 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.0 OUTLIER 56.88 68.41 2.14 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.214 -0.929 . . . . 7.15 109.544 179.931 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.1 Cg_endo -67.01 -4.3 11.22 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.088 1.859 . . . . 4.35 110.802 -179.911 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 45.1 mt -83.02 96.99 8.51 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.015 -1.053 . . . . 4.63 109.568 179.82 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.422 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 2.5 m-20 -82.18 -169.79 2.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.445 -0.785 . . . . 2.85 109.394 179.7 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.73 171.29 38.28 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.446 -1.461 . . . . 1.12 109.446 179.865 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.22 131.77 52.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -1.203 . . . . 2.11 109.516 -179.985 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.475 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 9.8 m-85 -94.91 155.42 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.077 -1.015 . . . . 0.64 109.737 179.93 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 76.6 m-85 -139.64 -169.33 2.68 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.322 -0.861 . . . . 0.49 109.392 179.871 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.466 ' O ' ' CZ ' ' A' ' 338' ' ' PHE . 11.7 p -153.35 163.3 40.17 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.177 -0.952 . . . . 0.47 109.599 -179.893 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.67 133.51 16.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.3 -0.875 . . . . 0.42 109.447 -179.811 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.73 127.7 34.59 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.297 -0.877 . . . . 1.81 109.179 179.841 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 39.1 mt -123.78 114.44 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.223 -0.923 . . . . 0.42 109.707 -179.877 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 150.83 41.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.274 -0.891 . . . . 2.35 109.384 179.754 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.97 129.31 4.28 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.807 -1.317 . . . . 0.41 109.807 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.546 ' CZ ' ' CB ' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -77.25 -52.94 8.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.299 -1.118 . . . . 2.59 109.632 179.911 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.18 -48.42 80.36 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 2.54 109.41 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -60.76 -40.08 91.17 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.297 -0.877 . . . . 3.39 109.418 -179.937 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.485 ' CZ ' ' O ' ' A' ' 329' ' ' THR . 35.8 t80 -54.9 -55.5 29.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.379 -0.825 . . . . 0.47 109.523 179.979 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -51.77 -34.28 38.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.326 -0.859 . . . . 1.66 109.922 -179.848 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.7 ttp -62.33 -47.9 82.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.173 -0.954 . . . . 0.61 109.683 -179.626 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -61.52 -47.17 86.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.289 -0.882 . . . . 0.33 109.063 179.924 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' C' ' 345' ' ' ASN . 0.0 OUTLIER -51.96 -39.89 60.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.503 -0.748 . . . . 3.28 109.779 179.768 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.68 -49.63 76.84 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 1.78 109.657 -179.672 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -60.89 -33.39 73.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.151 -0.968 . . . . 0.38 108.888 179.859 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.5 t-20 -59.32 -55.38 35.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 1.2 109.396 179.665 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.75 -29.08 70.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 2.12 109.772 -179.824 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.24 -56.9 15.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.21 -0.931 . . . . 0.26 109.869 -179.74 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.42 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 22.2 mt -60.78 -38.07 84.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.32 -0.862 . . . . 0.4 109.378 -179.843 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.18 -37.18 76.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.292 -0.88 . . . . 2.09 109.398 179.821 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.722 HD11 HE21 ' D' ' 354' ' ' GLN . 11.9 tp -64.42 -40.56 95.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -0.891 . . . . 0.75 109.355 179.878 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.42 -49.5 76.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.3 -0.875 . . . . 2.19 108.94 179.723 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.55 -29.86 62.45 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.567 -0.708 . . . . 1.34 109.523 179.537 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.45 83.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.328 -0.857 . . . . 0.72 109.662 -179.627 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.736 HE21 HD11 ' D' ' 350' ' ' LEU . 0.0 OUTLIER -83.03 -13.76 55.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.108 -0.995 . . . . 1.8 109.362 179.973 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.33 -21.6 60.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.217 -0.927 . . . . 1.39 109.168 179.538 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.92 20.18 21.59 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.866 -1.294 . . . . 1.66 109.866 179.923 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 39.87 0.86 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.041 -1.27 . . . . 4.45 109.804 -179.86 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' C' ' 359' ' ' PRO . 0.0 OUTLIER -51.0 171.4 0.17 Allowed Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.162 -0.961 . . . . 6.19 109.438 179.986 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' C' ' 358' ' ' GLU . 3.1 Cg_exo -61.35 141.31 92.2 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.139 1.893 . . . . 5.58 110.253 179.903 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 118.025 -1.431 . . . . 6.9 109.577 179.981 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 34.4 mttp . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.391 -0.596 . . . . 7.36 109.391 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.57 50.95 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.256 -0.903 . . . . 7.15 109.525 179.882 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.0 OUTLIER 56.83 68.39 2.16 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.231 -0.918 . . . . 6.5 109.506 179.913 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.1 Cg_endo -66.93 -4.34 11.2 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.1 1.867 . . . . 4.5 110.84 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.0 96.9 8.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.064 -1.023 . . . . 4.32 109.587 179.858 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.416 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 2.5 m-20 -82.12 -169.72 2.53 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.37 -0.831 . . . . 2.46 109.378 179.731 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.82 171.4 38.43 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.436 -1.465 . . . . 0.97 109.436 179.9 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.27 131.74 51.92 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -1.136 . . . . 1.67 109.437 -179.901 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 9.7 m-85 -95.0 155.49 16.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.61 109.664 179.938 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.578 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 76.8 m-85 -139.77 -169.39 2.7 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.368 -0.832 . . . . 0.56 109.248 -179.976 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.486 ' O ' ' CZ ' ' B' ' 338' ' ' PHE . 11.9 p -153.34 162.91 40.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.43 109.664 -179.717 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.3 tp -149.41 133.63 17.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.35 109.429 -179.804 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.8 127.84 34.66 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.282 -0.886 . . . . 1.37 109.132 179.807 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 38.9 mt -123.92 114.28 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.166 -0.959 . . . . 0.48 109.666 -179.828 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.46 150.68 41.47 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.159 -0.963 . . . . 2.08 109.395 179.739 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 91.11 129.71 4.47 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.773 -1.331 . . . . 0.4 109.773 179.782 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.58 ' CZ ' ' CB ' ' D' ' 335' ' ' ARG . 0.5 OUTLIER -77.69 -52.88 8.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -1.044 . . . . 2.64 109.537 179.887 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.34 -48.09 81.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 2.22 109.429 -179.967 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -61.0 -40.04 92.01 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.353 -0.842 . . . . 2.74 109.365 179.959 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.467 ' CZ ' ' O ' ' B' ' 329' ' ' THR . 35.8 t80 -54.99 -55.39 31.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.441 -0.787 . . . . 0.43 109.565 179.978 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -51.81 -34.29 39.54 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.265 -0.897 . . . . 1.69 109.889 -179.88 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttp -62.4 -47.74 82.79 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.16 -0.963 . . . . 0.43 109.751 -179.598 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.437 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 20.1 m-85 -61.5 -47.27 86.39 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.27 109.026 179.908 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' D' ' 345' ' ' ASN . 0.0 OUTLIER -51.98 -40.0 60.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.417 -0.802 . . . . 2.45 109.581 179.881 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.65 -49.59 76.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.337 -0.852 . . . . 1.75 109.776 -179.675 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.86 -33.4 73.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.167 -0.958 . . . . 0.31 108.926 179.771 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.452 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.33 -55.31 36.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.392 -0.818 . . . . 1.22 109.501 179.571 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.7 -29.09 70.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.423 -0.798 . . . . 1.73 109.786 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.699 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.2 -56.89 16.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.163 -0.961 . . . . 0.28 109.854 -179.714 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.414 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 22.1 mt -60.89 -38.07 84.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.31 109.396 -179.783 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.11 -37.21 76.63 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.237 -0.914 . . . . 1.91 109.376 179.76 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.736 HD11 HE21 ' C' ' 354' ' ' GLN . 11.9 tp -64.5 -40.5 95.76 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.242 -0.911 . . . . 0.43 109.325 179.972 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.53 76.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.415 -0.803 . . . . 1.57 108.861 179.693 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.67 -29.82 62.74 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.656 -0.652 . . . . 1.44 109.472 179.643 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.57 83.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.41 -0.806 . . . . 0.64 109.63 -179.695 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.722 HE21 HD11 ' C' ' 350' ' ' LEU . 0.0 OUTLIER -83.03 -13.66 55.43 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 1.21 109.443 -179.992 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.48 -21.47 60.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.22 109.087 179.61 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -86.06 20.29 21.57 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 1.5 109.89 179.896 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.72 40.04 0.88 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -1.194 . . . . 4.18 109.756 -179.904 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.483 ' CG ' ' HD2' ' D' ' 359' ' ' PRO . 0.0 OUTLIER -51.07 171.5 0.17 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.175 -0.953 . . . . 5.67 109.435 179.93 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' D' ' 358' ' ' GLU . 3.0 Cg_exo -61.43 141.37 91.94 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.131 1.887 . . . . 5.65 110.243 179.914 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 CA-C-O 117.969 -1.462 . . . . 7.27 109.549 -179.982 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.492 -0.558 . . . . 7.33 109.492 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.09 24.79 14.79 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.23 -0.919 . . . . 7.21 109.536 179.961 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.31 81.43 0.26 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.932 . . . . 6.47 109.436 179.96 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.44 80.81 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.356 2.037 . . . . 4.53 110.574 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.98 24.36 1.82 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.9 . . . . 4.35 109.713 179.629 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.41 -154.9 0.05 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.355 -0.841 . . . . 2.48 109.993 -179.301 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.49 153.48 52.93 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.002 -1.239 . . . . 0.98 110.002 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.62 147.11 38.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.44 -1.035 . . . . 1.7 109.535 179.971 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' C' ' 333' ' ' ARG . 50.7 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.297 -0.877 . . . . 0.61 109.396 179.826 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.7 m-85 -138.09 -168.31 2.33 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.58 109.55 -179.902 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 19.7 p -153.2 162.67 41.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.42 109.644 -179.794 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' C' ' 345' ' ' ASN . 23.7 tp -150.08 133.07 16.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.287 -0.883 . . . . 0.36 109.362 -179.998 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.6 126.44 34.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -0.892 . . . . 1.37 109.69 -179.803 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 341' ' ' PHE . 47.0 mt -124.14 116.48 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.2 -0.937 . . . . 0.47 109.333 179.709 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.499 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 2.1 ttt-85 -74.07 159.62 32.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.946 . . . . 2.1 109.864 -179.867 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.45 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 80.16 134.82 1.33 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.834 -1.306 . . . . 0.42 109.834 179.643 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 58.5 ttt180 -81.04 -49.02 11.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.328 -1.101 . . . . 2.68 109.38 179.829 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.5 -51.09 71.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.351 -0.843 . . . . 2.22 109.441 179.936 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.07 85.36 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.351 -0.843 . . . . 2.77 109.299 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' ' O ' ' C' ' 329' ' ' THR . 42.3 t80 -55.3 -53.03 61.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.43 109.572 179.953 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -51.45 -34.45 35.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.386 -0.821 . . . . 1.66 109.816 -179.903 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.71 -50.51 70.85 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.211 -0.93 . . . . 0.44 109.898 -179.473 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.0 m-85 -60.75 -54.65 42.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.29 109.241 -179.919 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.02 -34.41 29.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.425 -0.797 . . . . 2.44 109.501 179.856 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.29 -49.07 79.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.159 -0.963 . . . . 1.74 109.474 -179.918 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.12 -34.83 75.6 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.261 -0.899 . . . . 0.3 108.838 179.687 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' C' ' 330' ' ' LEU . 9.5 t-20 -59.21 -53.31 59.79 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.502 -0.749 . . . . 1.22 109.711 179.73 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.7 -32.9 74.08 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.336 -0.852 . . . . 1.72 110.066 -179.506 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.56 -53.3 59.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.211 -0.931 . . . . 0.27 110.101 -179.643 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.89 -43.54 98.35 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.29 109.731 -179.511 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.46 -35.33 73.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.206 -0.934 . . . . 1.91 109.562 179.978 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.752 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.3 tt -65.7 -40.85 92.7 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.298 -0.876 . . . . 0.41 109.429 -179.875 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 34.5 ttmt -62.19 -48.32 80.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.345 -0.847 . . . . 1.56 108.869 179.745 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.4 68.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.498 -0.751 . . . . 1.43 109.638 179.638 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.89 -30.36 69.69 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.66 109.845 -179.74 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.506 ' NE2' HD11 ' B' ' 350' ' ' LEU . 8.6 mt-30 -82.77 -10.06 59.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.189 -0.944 . . . . 1.18 109.529 -179.865 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.35 -45.86 58.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 1.23 109.696 179.876 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.29 17.1 35.28 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 110.127 -1.189 . . . . 1.54 110.127 -179.672 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 354' ' ' GLN . 0.0 OUTLIER -85.26 141.85 29.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.013 -1.287 . . . . 4.18 109.6 -179.855 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.03 106.44 0.6 Allowed Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.908 . . . . 5.71 109.489 179.974 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 2.9 Cg_endo -60.78 133.43 47.94 Favored 'Trans proline' 0 C--N 1.313 -1.339 0 C-N-CA 122.025 1.817 . . . . 5.61 110.255 -179.946 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.521 -1.432 . . . . 7.24 109.521 179.988 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.525 -0.546 . . . . 7.34 109.525 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.08 24.91 14.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.244 -0.91 . . . . 7.17 109.528 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.19 81.51 0.25 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.194 -0.941 . . . . 6.44 109.456 179.985 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.51 80.81 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.397 2.065 . . . . 4.54 110.602 -179.895 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -87.98 24.35 1.83 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.289 -0.882 . . . . 4.32 109.72 179.677 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.49 -155.03 0.06 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.383 -0.823 . . . . 2.47 109.983 -179.288 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.25 153.43 52.92 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.002 -1.239 . . . . 0.95 110.002 -179.505 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.59 147.18 38.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.417 -1.049 . . . . 1.61 109.544 179.89 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' D' ' 333' ' ' ARG . 51.4 m-85 -94.49 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.269 -0.894 . . . . 0.57 109.386 179.821 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.6 m-85 -138.13 -168.33 2.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.879 . . . . 0.53 109.504 -179.871 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 19.6 p -153.19 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 0.38 109.62 -179.786 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' D' ' 345' ' ' ASN . 23.7 tp -150.05 133.12 16.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.271 -0.893 . . . . 0.36 109.359 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.63 126.41 34.5 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.271 -0.893 . . . . 1.36 109.702 -179.833 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' B' ' 341' ' ' PHE . 46.7 mt -124.09 116.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.205 -0.934 . . . . 0.49 109.365 179.704 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.5 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 2.1 ttt-85 -74.04 159.59 32.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.177 -0.952 . . . . 2.1 109.87 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 80.21 134.8 1.34 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.871 -1.292 . . . . 0.44 109.871 179.664 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 58.5 ttt180 -81.03 -49.06 11.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -1.098 . . . . 2.72 109.348 179.82 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.56 -50.94 71.96 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 2.21 109.477 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.31 -39.04 85.57 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.333 -0.855 . . . . 2.79 109.281 -179.932 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -55.35 -52.97 61.76 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.45 109.582 179.962 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.48 -34.46 35.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.39 -0.819 . . . . 1.68 109.795 -179.871 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.68 -50.59 70.55 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.239 -0.913 . . . . 0.43 109.891 -179.495 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.1 m-85 -60.69 -54.66 42.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.28 109.241 -179.905 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.0 -34.43 29.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.414 -0.804 . . . . 2.52 109.514 179.84 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.3 -49.05 79.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.75 109.472 -179.887 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.16 -34.78 75.57 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.349 -0.845 . . . . 0.31 108.84 179.692 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' D' ' 330' ' ' LEU . 9.6 t-20 -59.28 -53.24 60.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.421 -0.8 . . . . 1.21 109.685 179.762 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.69 -33.04 74.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.801 . . . . 1.69 110.095 -179.557 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.804 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.5 -53.25 59.73 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.139 -0.976 . . . . 0.27 110.101 -179.627 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.83 -43.63 98.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.238 -0.913 . . . . 0.3 109.703 -179.534 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.49 -35.23 73.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.202 -0.936 . . . . 1.93 109.572 -179.974 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.753 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.75 -40.97 92.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -0.901 . . . . 0.4 109.343 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 34.6 ttmt -62.1 -48.27 80.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.427 -0.796 . . . . 1.59 108.923 179.764 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.1 -34.47 68.37 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.534 -0.729 . . . . 1.43 109.615 179.628 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.86 -30.35 69.7 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.303 -0.873 . . . . 0.65 109.867 -179.757 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.622 ' NE2' HD11 ' A' ' 350' ' ' LEU . 8.7 mt-30 -82.81 -10.03 59.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.176 -0.952 . . . . 1.19 109.473 -179.852 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -45.8 58.03 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 1.22 109.676 179.897 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.38 17.12 35.61 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.105 -1.198 . . . . 1.53 110.105 -179.621 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 354' ' ' GLN . 0.0 OUTLIER -85.22 141.84 29.85 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.004 -1.292 . . . . 4.21 109.636 -179.93 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.05 106.51 0.61 Allowed Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.293 -0.879 . . . . 5.68 109.415 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 2.9 Cg_endo -60.85 133.46 47.94 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 121.972 1.781 . . . . 5.57 110.209 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 118.034 -1.425 . . . . 7.2 109.582 179.935 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.476 -0.564 . . . . 8.96 109.476 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 62.04 24.84 14.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 8.15 109.581 179.959 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.23 81.47 0.26 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 7.15 109.456 179.988 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.45 80.88 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.36 2.04 . . . . 4.35 110.572 -179.915 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.02 24.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.881 . . . . 4.63 109.679 179.645 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.44 -154.98 0.06 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.293 -0.879 . . . . 2.85 110.01 -179.267 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.38 153.41 52.91 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.982 -1.247 . . . . 1.12 109.982 -179.532 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -59.56 147.13 38.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.375 -1.073 . . . . 2.11 109.549 179.895 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 51.1 m-85 -94.46 158.37 15.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.884 . . . . 0.64 109.338 179.834 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.8 m-85 -138.09 -168.32 2.34 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.49 109.548 -179.896 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 19.7 p -153.22 162.68 41.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.146 -0.971 . . . . 0.47 109.612 -179.788 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 345' ' ' ASN . 24.0 tp -150.1 133.01 16.07 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.42 109.38 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -86.5 126.39 34.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.902 . . . . 1.81 109.703 -179.826 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.455 HD13 ' HB2' ' C' ' 341' ' ' PHE . 47.0 mt -124.12 116.43 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.247 -0.908 . . . . 0.42 109.333 179.694 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.508 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 2.1 ttt-85 -74.0 159.64 32.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.23 -0.919 . . . . 2.35 109.862 -179.856 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 80.07 134.83 1.31 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.89 -1.284 . . . . 0.41 109.89 179.631 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 58.5 ttt180 -80.96 -49.1 11.39 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.33 -1.1 . . . . 2.59 109.381 179.833 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.52 -51.02 71.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 2.54 109.488 179.969 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.11 85.51 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.315 -0.866 . . . . 3.39 109.299 -179.946 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CE1' ' O ' ' A' ' 329' ' ' THR . 42.1 t80 -55.29 -53.05 60.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.47 -0.769 . . . . 0.47 109.517 179.977 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -51.42 -34.54 35.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.863 . . . . 1.66 109.815 -179.844 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttp -62.62 -50.52 70.92 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.245 -0.909 . . . . 0.61 109.981 -179.517 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.455 ' HB2' HD13 ' C' ' 332' ' ' ILE . 24.1 m-85 -60.74 -54.67 42.45 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.914 . . . . 0.33 109.223 -179.927 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.98 -34.37 28.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 3.28 109.507 179.835 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.35 -49.06 79.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 1.78 109.418 -179.86 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.14 -34.82 75.6 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.312 -0.868 . . . . 0.38 108.846 179.697 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' A' ' 330' ' ' LEU . 9.5 t-20 -59.23 -53.26 60.29 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.469 -0.769 . . . . 1.2 109.713 179.742 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.65 -33.24 74.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.402 -0.811 . . . . 2.12 110.056 -179.544 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -53.31 59.16 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.142 -0.974 . . . . 0.26 110.12 -179.65 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.88 -43.52 98.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.235 -0.916 . . . . 0.4 109.731 -179.494 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.56 -35.19 73.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 2.09 109.556 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.741 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.81 -40.86 92.27 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.306 -0.871 . . . . 0.75 109.381 -179.877 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 34.6 ttmt -62.17 -48.24 80.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 2.19 108.888 179.768 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.09 -34.46 68.33 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.597 -0.689 . . . . 1.34 109.63 179.598 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.316 -0.865 . . . . 0.72 109.852 -179.705 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.648 ' NE2' HD11 ' D' ' 350' ' ' LEU . 8.7 mt-30 -82.78 -9.98 59.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 1.8 109.572 -179.913 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -45.9 57.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 1.39 109.63 179.914 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.22 16.99 35.51 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.147 -1.181 . . . . 1.66 110.147 -179.623 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -85.22 141.88 29.82 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.017 -1.284 . . . . 4.45 109.638 -179.843 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.07 106.5 0.61 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.881 . . . . 6.19 109.397 -179.986 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 2.9 Cg_endo -60.83 133.44 47.84 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.019 1.813 . . . . 5.58 110.248 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.939 -1.478 . . . . 6.9 109.546 -179.979 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.467 -0.568 . . . . 7.36 109.467 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 61.99 24.85 14.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.25 -0.906 . . . . 7.15 109.596 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt 57.24 81.46 0.26 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 6.5 109.468 179.977 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.46 80.79 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.385 2.057 . . . . 4.5 110.599 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.01 24.4 1.82 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.266 -0.896 . . . . 4.32 109.699 179.68 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.49 -154.92 0.06 Allowed 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.364 -0.835 . . . . 2.46 109.962 -179.285 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 153.48 52.93 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.957 -1.257 . . . . 0.97 109.957 -179.454 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -59.62 147.18 38.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.431 -1.04 . . . . 1.67 109.506 179.928 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.43 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 51.3 m-85 -94.45 158.33 15.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.272 -0.892 . . . . 0.61 109.374 179.791 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 69.8 m-85 -138.11 -168.29 2.33 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.177 -0.952 . . . . 0.56 109.504 -179.901 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 19.5 p -153.21 162.64 41.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.43 109.615 -179.748 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' B' ' 329' ' ' THR . 23.9 tp -150.03 133.11 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.35 109.361 179.992 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -86.61 126.31 34.41 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.915 . . . . 1.37 109.744 -179.864 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' D' ' 341' ' ' PHE . 47.2 mt -124.06 116.53 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.48 109.326 179.72 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.503 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 2.1 ttt-85 -74.08 159.66 32.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.229 -0.919 . . . . 2.08 109.861 -179.859 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 80.2 134.73 1.33 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.86 -1.296 . . . . 0.4 109.86 179.6 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 58.5 ttt180 -81.01 -49.0 11.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -1.122 . . . . 2.64 109.388 179.805 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -58.58 -51.07 71.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.398 -0.814 . . . . 2.22 109.416 179.973 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.23 -39.1 85.47 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.273 -0.892 . . . . 2.74 109.23 -179.886 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.431 ' CE1' ' O ' ' B' ' 329' ' ' THR . 42.1 t80 -55.3 -53.04 61.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.456 -0.777 . . . . 0.43 109.515 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.43 -34.51 35.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.318 -0.864 . . . . 1.69 109.779 -179.835 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.67 -50.56 70.67 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.166 -0.959 . . . . 0.43 109.882 -179.476 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.1 m-85 -60.72 -54.68 42.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.27 109.213 -179.915 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -51.01 -34.4 29.15 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.365 -0.834 . . . . 2.45 109.483 179.879 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.32 -49.03 79.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.164 -0.96 . . . . 1.75 109.477 -179.912 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.15 -34.78 75.56 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.358 -0.839 . . . . 0.31 108.846 179.683 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.468 ' HB2' HD21 ' B' ' 330' ' ' LEU . 9.6 t-20 -59.27 -53.28 60.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.483 -0.76 . . . . 1.22 109.713 179.759 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.374 -0.829 . . . . 1.73 110.092 -179.542 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.881 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.63 -53.25 59.77 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.18 -0.95 . . . . 0.28 110.077 -179.584 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 42.0 mt -60.83 -43.52 98.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.31 109.747 -179.55 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.53 -35.3 73.92 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.214 -0.929 . . . . 1.91 109.573 -179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.738 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.3 tt -65.62 -41.0 93.17 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.281 -0.887 . . . . 0.43 109.417 -179.914 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.497 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 34.5 ttmt -62.09 -48.31 80.76 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.352 -0.842 . . . . 1.57 108.942 179.734 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.06 -34.5 68.32 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.467 -0.771 . . . . 1.44 109.627 179.586 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.85 -30.37 69.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.27 -0.894 . . . . 0.64 109.84 -179.716 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' D' ' 357' ' ' LYS . 8.6 mt-30 -82.77 -10.04 59.07 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.128 -0.983 . . . . 1.21 109.476 -179.863 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.42 -45.83 57.88 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 1.22 109.662 179.915 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.33 17.09 35.54 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 110.113 -1.195 . . . . 1.5 110.113 -179.617 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' D' ' 354' ' ' GLN . 0.0 OUTLIER -85.29 141.86 29.78 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.071 -1.252 . . . . 4.18 109.622 -179.865 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -48.0 106.48 0.61 Allowed Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 5.67 109.454 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 2.9 Cg_endo -60.81 133.45 47.96 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 121.998 1.799 . . . . 5.65 110.249 -179.962 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.962 -1.465 . . . . 7.27 109.562 179.962 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.429 -0.582 . . . . 7.33 109.429 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.28 94.99 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.346 -0.846 . . . . 7.21 109.71 179.885 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.527 ' O ' HD23 ' A' ' 323' ' ' LEU . 16.7 mttm 57.65 89.1 0.11 Allowed Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.331 -0.856 . . . . 6.47 109.516 179.761 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.88 81.28 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.299 1.999 . . . . 4.53 110.584 179.995 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 321' ' ' LYS . 4.6 mm? -83.71 17.22 2.35 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.159 -0.963 . . . . 4.35 109.935 179.564 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.2 -170.74 1.8 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.018 . . . . 2.48 109.567 -179.674 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 163.41 48.86 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.658 -1.377 . . . . 0.98 109.658 -179.803 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.64 142.24 50.1 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -1.131 . . . . 1.7 109.449 -179.98 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 54.2 m-85 -93.28 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.355 -0.841 . . . . 0.61 109.468 179.955 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 98.8 m-85 -138.44 -163.97 1.55 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.935 . . . . 0.58 109.424 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 22.4 p -154.41 161.16 41.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.113 -0.992 . . . . 0.42 109.698 -179.859 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' C' ' 329' ' ' THR . 16.0 tp -149.01 132.93 17.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.251 -0.906 . . . . 0.36 109.365 179.97 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 34.3 tt0 -85.66 134.33 33.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 1.37 109.711 -179.921 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' A' ' 338' ' ' PHE . 53.3 mt -123.93 119.96 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.915 . . . . 0.47 109.464 179.839 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.467 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.69 45.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 2.1 109.756 -179.906 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.467 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.23 138.52 4.44 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.89 -1.284 . . . . 0.42 109.89 179.626 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.9 ttp180 -81.22 -47.11 13.83 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -1.088 . . . . 2.68 109.317 179.707 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 337' ' ' ARG . 16.4 pt-20 -58.52 -47.83 82.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.278 -0.889 . . . . 2.22 109.383 179.896 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 336' ' ' GLU . 1.8 ttm180 -61.47 -39.95 92.75 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.409 -0.807 . . . . 2.77 109.496 179.797 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' A' ' 332' ' ' ILE . 37.2 t80 -54.9 -54.77 38.33 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.378 -0.826 . . . . 0.43 109.597 -179.895 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.65 -34.52 38.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.387 -0.821 . . . . 1.66 109.773 -179.823 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.89 -50.31 69.27 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.248 -0.908 . . . . 0.44 110.229 -179.514 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 332' ' ' ILE . 29.4 m-85 -60.78 -52.47 64.94 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.276 -0.89 . . . . 0.29 109.338 -179.818 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -51.35 -37.11 46.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.364 -0.835 . . . . 2.44 109.734 179.875 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.05 -49.53 77.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.931 . . . . 1.74 109.764 -179.72 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.15 -32.76 72.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.21 -0.931 . . . . 0.3 108.914 179.887 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.425 ' HB2' HD21 ' C' ' 330' ' ' LEU . 8.5 t-20 -58.79 -54.81 42.92 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.419 -0.801 . . . . 1.22 109.386 179.53 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.32 -30.78 71.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.429 -0.794 . . . . 1.72 109.869 -179.916 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.08 -55.58 32.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.27 110.048 -179.54 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.04 -42.09 97.82 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -0.854 . . . . 0.29 109.479 -179.737 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.16 -34.7 72.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 1.91 109.507 179.932 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 350' ' ' LEU . 17.1 tp -65.2 -42.04 93.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.833 . . . . 0.41 109.235 179.862 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -50.17 73.72 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.768 0.794 . . . . 1.56 108.881 179.519 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.94 -30.3 67.76 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.546 -0.721 . . . . 1.43 109.623 179.61 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.33 69.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.333 -0.854 . . . . 0.66 109.432 -179.764 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.501 HE21 HD21 ' B' ' 350' ' ' LEU . 1.2 mt-30 -82.79 -57.48 3.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.866 . . . . 1.18 109.379 179.722 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.99 -3.54 20.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.324 -0.86 . . . . 1.23 109.659 -179.92 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.0 4.93 84.62 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.562 -1.415 . . . . 1.54 109.562 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 119.47 26.91 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.117 -1.226 . . . . 4.18 109.657 -179.84 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.66 111.72 2.42 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.327 -0.858 . . . . 5.71 109.575 179.948 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.13 133.1 45.04 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.1 1.866 . . . . 5.61 110.309 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 CA-C-O 118.015 -1.436 . . . . 7.24 109.516 179.937 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.464 -0.569 . . . . 7.34 109.464 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.27 94.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 7.17 109.753 179.815 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.534 ' O ' HD23 ' B' ' 323' ' ' LEU . 16.7 mttm 57.71 89.02 0.11 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.874 . . . . 6.44 109.609 179.843 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.77 81.32 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.395 2.063 . . . . 4.54 110.524 -179.942 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.534 HD23 ' O ' ' B' ' 321' ' ' LYS . 4.6 mm? -83.78 17.17 2.41 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.239 -0.913 . . . . 4.32 109.905 179.553 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -77.09 -170.87 1.81 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.189 -0.945 . . . . 2.47 109.569 -179.696 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.15 163.37 48.3 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.64 -1.384 . . . . 0.95 109.64 -179.857 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.67 142.25 50.25 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.205 -1.174 . . . . 1.61 109.519 179.924 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -93.25 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.324 -0.86 . . . . 0.57 109.498 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.41 -163.93 1.54 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.53 109.389 -179.936 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 22.3 p -154.57 161.09 41.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.15 -0.969 . . . . 0.38 109.647 -179.896 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' D' ' 329' ' ' THR . 16.2 tp -148.91 133.05 17.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.274 -0.891 . . . . 0.36 109.342 -179.938 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 34.3 tt0 -85.76 134.3 33.95 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.319 -0.863 . . . . 1.36 109.684 -179.868 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.614 HD12 ' HD1' ' B' ' 338' ' ' PHE . 53.3 mt -123.85 119.86 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.49 109.531 179.851 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.19 146.7 45.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 2.1 109.743 -179.897 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.07 138.57 4.37 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.906 -1.277 . . . . 0.44 109.906 179.67 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 31.0 ttp180 -81.22 -47.05 13.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -1.111 . . . . 2.72 109.347 179.764 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.58 -47.72 83.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.21 109.393 179.858 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.59 -39.98 93.12 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.349 -0.844 . . . . 2.79 109.395 179.874 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.614 ' HD1' HD12 ' B' ' 332' ' ' ILE . 36.8 t80 -54.88 -54.79 37.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.383 -0.823 . . . . 0.45 109.546 -179.907 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -51.68 -34.42 38.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.68 109.806 -179.783 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.94 -50.24 69.45 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.226 -0.921 . . . . 0.43 110.204 -179.487 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.607 ' HB2' HD13 ' B' ' 332' ' ' ILE . 29.3 m-85 -60.86 -52.44 65.05 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.173 -0.955 . . . . 0.28 109.37 -179.817 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -51.42 -37.0 46.27 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.428 -0.795 . . . . 2.52 109.742 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.57 77.11 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.121 -0.987 . . . . 1.75 109.776 -179.806 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.14 -32.72 72.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.187 -0.946 . . . . 0.31 108.945 179.848 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.443 ' HB2' HD21 ' D' ' 330' ' ' LEU . 8.5 t-20 -58.78 -54.78 43.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.381 -0.824 . . . . 1.21 109.344 179.494 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.48 -30.69 71.77 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.456 -0.778 . . . . 1.69 109.828 -179.809 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.696 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.11 -55.52 32.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.27 109.995 -179.536 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -42.04 97.89 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.3 109.374 -179.619 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.17 -34.66 72.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.374 -0.829 . . . . 1.93 109.524 179.889 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.501 HD21 HE21 ' A' ' 354' ' ' GLN . 17.1 tp -65.3 -42.0 93.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.26 -0.9 . . . . 0.4 109.22 179.861 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -50.25 73.42 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.414 -0.804 . . . . 1.59 108.859 179.486 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.3 67.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.691 -0.631 . . . . 1.43 109.569 179.634 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.67 -29.31 69.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.347 -0.846 . . . . 0.65 109.322 -179.646 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.71 -57.45 3.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.239 -0.913 . . . . 1.19 109.439 179.702 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.97 -3.61 20.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.304 -0.873 . . . . 1.22 109.736 179.989 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.93 4.94 84.36 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.685 -1.366 . . . . 1.53 109.685 179.91 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 119.48 26.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.132 -1.217 . . . . 4.21 109.616 -179.825 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.74 111.83 2.51 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 5.68 109.65 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -61.12 133.06 44.81 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.013 1.809 . . . . 5.57 110.252 -179.975 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.49 -1.444 . . . . 7.2 109.49 179.916 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.41 -0.589 . . . . 8.96 109.41 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.21 94.97 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.221 -0.925 . . . . 8.15 109.666 179.822 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.536 ' O ' HD23 ' C' ' 323' ' ' LEU . 16.7 mttm 57.67 89.1 0.11 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.392 -0.818 . . . . 7.15 109.489 179.721 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.8 81.21 0.18 Allowed 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.382 2.054 . . . . 4.35 110.534 -179.993 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.536 HD23 ' O ' ' C' ' 321' ' ' LYS . 4.6 mm? -83.67 17.18 2.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.132 -0.98 . . . . 4.63 109.844 179.576 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -77.11 -170.78 1.79 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.12 -0.987 . . . . 2.85 109.531 -179.686 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.24 163.49 48.43 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.661 -1.376 . . . . 1.12 109.661 -179.862 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.69 142.34 50.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -1.09 . . . . 2.11 109.467 -180.0 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -93.45 158.77 15.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.276 -0.89 . . . . 0.64 109.451 179.943 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.38 -164.0 1.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -0.89 . . . . 0.49 109.37 -179.827 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 330' ' ' LEU . 22.5 p -154.44 161.15 41.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.12 -0.988 . . . . 0.47 109.71 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 329' ' ' THR . 16.3 tp -149.01 133.02 17.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.161 -0.962 . . . . 0.42 109.333 179.975 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 34.4 tt0 -85.67 134.33 33.98 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.228 -0.92 . . . . 1.81 109.745 -179.963 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' HD1' ' C' ' 338' ' ' PHE . 53.1 mt -123.88 119.83 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.296 -0.877 . . . . 0.42 109.494 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.08 146.72 45.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.236 -0.915 . . . . 2.35 109.745 -179.945 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.0 138.52 4.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.961 -1.256 . . . . 0.41 109.961 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.604 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.8 ttp180 -81.15 -47.11 13.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.35 -1.088 . . . . 2.59 109.377 179.696 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.51 -47.94 82.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.386 -0.821 . . . . 2.54 109.333 179.892 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -61.45 -39.88 92.46 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.399 -0.813 . . . . 3.39 109.476 179.877 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.625 ' HD1' HD12 ' C' ' 332' ' ' ILE . 36.6 t80 -54.98 -54.69 39.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.47 109.544 -179.881 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -51.77 -34.44 39.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.296 -0.878 . . . . 1.66 109.736 -179.781 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttp -63.93 -50.26 69.37 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.174 -0.953 . . . . 0.61 110.257 -179.511 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' C' ' 332' ' ' ILE . 29.3 m-85 -60.89 -52.37 65.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.33 109.317 -179.876 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -51.46 -37.08 47.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.344 -0.847 . . . . 3.28 109.726 179.909 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.1 -49.46 77.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.18 -0.95 . . . . 1.78 109.788 -179.684 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.13 -32.8 72.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.251 -0.906 . . . . 0.38 108.881 179.831 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.428 ' HB2' HD21 ' A' ' 330' ' ' LEU . 8.6 t-20 -58.83 -54.67 44.48 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.437 -0.789 . . . . 1.2 109.381 179.641 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.36 -30.85 71.91 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.302 -0.874 . . . . 2.12 109.851 -179.928 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.03 -55.57 32.33 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.298 -0.876 . . . . 0.26 110.062 -179.571 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.19 -41.94 97.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.215 -0.928 . . . . 0.4 109.493 -179.673 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.23 -34.67 72.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.243 -0.91 . . . . 2.09 109.436 179.845 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.506 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 16.9 tp -65.29 -41.99 93.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.298 -0.876 . . . . 0.75 109.2 179.879 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.18 73.56 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.339 -0.851 . . . . 2.19 108.802 179.541 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.89 -30.24 67.63 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.576 -0.703 . . . . 1.34 109.638 179.574 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.56 -29.42 70.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.316 -0.865 . . . . 0.72 109.369 -179.743 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.72 -57.47 3.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.369 -0.832 . . . . 1.8 109.39 179.759 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.01 -3.45 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.296 -0.878 . . . . 1.39 109.726 -179.989 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.87 4.76 84.54 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.643 -1.383 . . . . 1.66 109.643 179.82 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 119.52 26.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -1.196 . . . . 4.45 109.623 -179.779 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.71 111.72 2.43 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 6.19 109.565 179.98 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.08 133.12 45.28 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 121.986 1.791 . . . . 5.58 110.353 179.972 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 N-CA-C 109.46 -1.456 . . . . 6.9 109.46 179.984 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.341 -0.614 . . . . 7.36 109.341 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.3 95.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 7.15 109.682 179.916 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.543 ' O ' HD23 ' D' ' 323' ' ' LEU . 16.7 mttm 57.63 89.08 0.11 Allowed Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 6.5 109.589 179.812 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -64.8 81.24 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.375 2.05 . . . . 4.5 110.567 -179.988 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.543 HD23 ' O ' ' D' ' 321' ' ' LYS . 4.6 mm? -83.68 17.13 2.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.11 -0.994 . . . . 4.32 109.978 179.555 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.04 -170.78 1.77 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -0.949 . . . . 2.46 109.66 -179.7 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.42 163.4 49.05 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.691 -1.363 . . . . 0.97 109.691 -179.873 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.62 142.28 49.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -1.155 . . . . 1.67 109.475 -179.888 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -93.34 158.76 15.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.241 -0.912 . . . . 0.61 109.424 179.954 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.7 m-85 -138.48 -163.95 1.55 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.56 109.39 -179.897 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 22.5 p -154.5 161.03 41.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.04 -1.037 . . . . 0.43 109.724 -179.822 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' B' ' 329' ' ' THR . 16.1 tp -148.98 133.01 17.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.324 -0.86 . . . . 0.35 109.362 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 34.2 tt0 -85.84 134.43 33.92 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.299 -0.875 . . . . 1.37 109.587 -179.739 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.619 HD12 ' HD1' ' D' ' 338' ' ' PHE . 53.0 mt -123.93 119.72 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.341 -0.849 . . . . 0.48 109.482 179.928 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.1 146.72 45.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 2.08 109.722 -179.943 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.463 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.18 138.37 4.36 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.947 -1.261 . . . . 0.4 109.947 179.644 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.9 ttp180 -81.06 -47.09 14.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.297 -1.12 . . . . 2.64 109.371 179.664 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -58.59 -47.67 83.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.262 -0.899 . . . . 2.22 109.372 179.945 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -61.69 -39.79 92.68 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.24 -0.912 . . . . 2.74 109.464 179.884 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.619 ' HD1' HD12 ' D' ' 332' ' ' ILE . 37.3 t80 -54.99 -54.75 38.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.368 -0.833 . . . . 0.43 109.627 -179.988 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -51.57 -34.52 37.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.35 -0.844 . . . . 1.69 109.843 -179.892 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttp -63.88 -50.3 69.31 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.207 -0.933 . . . . 0.43 110.208 -179.458 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.601 ' HB2' HD13 ' D' ' 332' ' ' ILE . 29.2 m-85 -60.91 -52.37 65.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.27 109.351 -179.771 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -51.37 -37.13 46.46 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.443 -0.785 . . . . 2.45 109.741 179.788 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.07 -49.56 77.19 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.167 -0.958 . . . . 1.75 109.732 -179.709 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.0 -32.85 72.42 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.26 -0.9 . . . . 0.31 108.962 179.806 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' B' ' 330' ' ' LEU . 8.5 t-20 -58.8 -54.7 44.11 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.427 -0.796 . . . . 1.22 109.395 179.55 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.41 -30.83 71.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.332 -0.855 . . . . 1.73 109.849 -179.903 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.762 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -55.55 32.61 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.28 110.08 -179.569 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.23 -41.96 97.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.197 -0.939 . . . . 0.31 109.411 -179.667 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -59.2 -34.71 72.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.302 -0.873 . . . . 1.91 109.444 179.902 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.506 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 17.1 tp -65.3 -41.95 93.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.28 -0.887 . . . . 0.43 109.159 179.929 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -50.22 73.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.341 -0.849 . . . . 1.57 108.764 179.528 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.97 -30.12 67.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.639 -0.663 . . . . 1.44 109.636 179.658 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.71 -29.35 69.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.64 109.302 -179.717 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.62 -57.61 3.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.896 . . . . 1.21 109.441 179.675 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.9 -3.49 19.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.375 -0.828 . . . . 1.22 109.844 179.967 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.88 4.82 84.46 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.677 -1.369 . . . . 1.5 109.677 179.85 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 119.47 26.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -1.175 . . . . 4.18 109.627 -179.812 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.68 111.74 2.43 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.283 -0.885 . . . . 5.67 109.622 179.898 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.09 133.07 44.96 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.133 1.889 . . . . 5.65 110.287 179.979 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 CA-C-O 118.0 -1.444 . . . . 7.27 109.515 180.0 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.396 -0.594 . . . . 7.33 109.396 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.06 91.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.324 -0.86 . . . . 7.21 109.593 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.54 68.27 1.38 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 6.47 109.622 179.888 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.14 168.59 5.91 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.182 1.921 . . . . 4.53 110.138 179.849 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.53 103.63 10.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.245 -0.909 . . . . 4.35 109.571 -179.879 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.48 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 0.9 OUTLIER -81.27 160.95 24.1 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.356 -0.84 . . . . 2.48 109.335 179.754 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 176.9 27.57 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.734 -1.346 . . . . 0.98 109.734 179.975 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.58 142.91 47.87 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.329 -1.101 . . . . 1.7 109.31 179.786 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.48 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 24.2 m-85 -93.83 155.96 16.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.61 109.834 -179.634 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.533 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 79.2 m-85 -138.75 -169.16 2.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.354 -0.841 . . . . 0.58 109.324 179.892 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 328' ' ' PHE . 25.0 p -154.01 156.65 37.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.42 109.645 -179.798 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.7 133.64 18.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.244 -0.91 . . . . 0.36 109.544 -179.869 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.04 34.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.369 -0.832 . . . . 1.37 109.104 179.902 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.39 112.08 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.47 109.687 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.21 145.74 46.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.274 -0.891 . . . . 2.1 109.371 179.807 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.402 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 96.67 136.78 9.12 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.721 -1.352 . . . . 0.42 109.721 179.932 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.0 ttm180 -80.25 -56.45 4.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -1.079 . . . . 2.68 109.528 179.99 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.31 -42.69 87.28 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 2.22 109.507 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.07 -43.03 95.76 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.283 -0.886 . . . . 2.77 109.447 -179.971 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.6 t80 -55.83 -55.45 32.28 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.379 -0.826 . . . . 0.43 109.628 -179.948 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.26 -36.24 30.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 1.66 109.75 -179.768 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.61 -48.45 77.28 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.231 -0.918 . . . . 0.44 110.058 -179.597 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -61.14 -55.97 26.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.29 109.303 -179.878 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.48 -34.5 25.21 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.371 -0.831 . . . . 2.44 109.495 179.764 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.1 -49.72 76.15 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.165 -0.959 . . . . 1.74 109.585 -179.849 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 59.2 mt -61.58 -34.33 75.43 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.32 -0.863 . . . . 0.3 108.94 179.718 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.36 -54.16 49.92 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.434 -0.791 . . . . 1.22 109.651 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.95 -33.46 75.42 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.496 -0.752 . . . . 1.72 110.083 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.89 -53.47 57.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.189 -0.944 . . . . 0.27 110.087 -179.546 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.22 -42.59 98.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.234 -0.916 . . . . 0.29 109.659 -179.607 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.12 -34.18 73.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 1.91 109.716 -179.923 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.501 HD21 HE21 ' B' ' 354' ' ' GLN . 7.2 tp -64.53 -47.49 78.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.898 . . . . 0.41 109.673 -179.802 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.38 -45.48 94.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.785 . . . . 1.56 109.19 -179.954 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.07 -30.6 64.42 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.6 -0.687 . . . . 1.43 109.672 179.77 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.62 82.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.324 -0.86 . . . . 0.66 110.05 -179.578 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.435 HE21 HD21 ' B' ' 350' ' ' LEU . 10.9 mt-30 -82.31 -9.69 59.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 1.18 109.685 -179.703 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.99 -4.72 34.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.202 -0.936 . . . . 1.23 109.652 179.85 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.5 -4.98 90.28 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.998 -1.241 . . . . 1.54 109.998 -179.623 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.51 96.21 10.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.068 -1.254 . . . . 4.18 109.398 179.922 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.557 ' N ' ' HD2' ' A' ' 359' ' ' PRO . 1.2 mm-40 -51.64 -57.02 16.05 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 5.71 109.905 -179.858 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 358' ' ' GLU . 4.4 Cg_exo -59.46 148.18 88.1 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.871 1.714 . . . . 5.61 110.29 -179.931 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 118.015 -1.436 . . . . 7.24 109.58 -179.842 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.414 -0.587 . . . . 7.34 109.414 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.16 91.44 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 7.17 109.605 -179.986 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.62 68.15 1.39 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 6.44 109.681 179.922 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.95 168.64 5.57 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.24 1.96 . . . . 4.54 110.095 179.913 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.8 mt -80.64 103.73 10.69 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 4.32 109.599 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.478 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -81.36 160.88 24.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 2.47 109.361 179.784 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.44 176.87 26.86 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.705 -1.358 . . . . 0.95 109.705 179.969 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -58.63 142.99 47.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -1.115 . . . . 1.61 109.183 179.791 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.478 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 24.6 m-85 -93.83 156.02 16.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.237 -0.914 . . . . 0.57 109.844 -179.715 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 79.3 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.393 -0.817 . . . . 0.53 109.31 179.843 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.417 HG23 ' O ' ' B' ' 328' ' ' PHE . 24.8 p -154.06 156.64 37.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.16 -0.962 . . . . 0.38 109.657 -179.78 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.68 133.54 18.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.297 -0.877 . . . . 0.36 109.557 -179.81 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.41 131.07 34.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.4 -0.813 . . . . 1.36 109.188 179.784 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.7 mt -123.46 112.1 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.218 -0.926 . . . . 0.49 109.65 -179.795 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.24 145.96 45.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.223 -0.923 . . . . 2.1 109.321 179.808 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 96.51 136.83 9.1 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.924 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.0 ttm180 -80.34 -56.52 4.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.32 -1.106 . . . . 2.72 109.445 -179.994 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.19 -43.01 87.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.342 -0.849 . . . . 2.21 109.469 179.965 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.69 -43.23 94.13 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.351 -0.843 . . . . 2.79 109.485 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.8 t80 -55.79 -55.42 32.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.45 109.638 -179.973 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -50.39 -36.14 31.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.277 -0.889 . . . . 1.68 109.871 -179.774 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.51 -48.44 77.54 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.341 -0.849 . . . . 0.43 110.104 -179.748 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -61.2 -55.89 27.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.184 -0.948 . . . . 0.28 109.367 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.49 -34.51 25.37 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.442 -0.787 . . . . 2.52 109.5 179.745 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.09 -49.61 76.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.186 -0.946 . . . . 1.75 109.647 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.7 -34.22 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.24 -0.912 . . . . 0.31 108.885 179.813 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.44 -54.1 50.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.503 -0.748 . . . . 1.21 109.643 179.659 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -63.04 -33.48 75.52 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.424 -0.798 . . . . 1.69 110.07 -179.51 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.719 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.92 -53.47 57.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.275 -0.89 . . . . 0.27 110.003 -179.527 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 48.5 mt -61.16 -42.71 99.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.28 -0.888 . . . . 0.3 109.591 -179.552 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.04 -34.22 73.09 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.279 -0.888 . . . . 1.93 109.716 -179.915 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.435 HD21 HE21 ' A' ' 354' ' ' GLN . 7.2 tp -64.58 -47.37 78.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.204 -0.935 . . . . 0.4 109.71 -179.832 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.51 93.99 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.361 -0.837 . . . . 1.59 109.205 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.49 64.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.476 -0.765 . . . . 1.43 109.704 179.735 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.79 81.8 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.453 -0.779 . . . . 0.65 109.94 -179.56 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.501 HE21 HD21 ' A' ' 350' ' ' LEU . 11.0 mt-30 -82.2 -9.83 59.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.187 -0.945 . . . . 1.19 109.69 -179.679 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.98 -4.67 33.71 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.138 -0.976 . . . . 1.22 109.712 179.874 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.44 -4.99 90.3 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.019 -1.232 . . . . 1.53 110.019 -179.672 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 96.33 10.37 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.039 -1.271 . . . . 4.21 109.316 179.966 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.555 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 1.2 mm-40 -51.63 -57.08 15.81 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.294 -0.878 . . . . 5.68 109.949 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 4.5 Cg_exo -59.35 148.17 87.74 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 121.839 1.693 . . . . 5.57 110.223 -179.955 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.96 -1.466 . . . . 7.2 109.523 -179.954 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 38.9 mttp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.44 -0.578 . . . . 8.96 109.44 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.05 91.59 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.335 -0.853 . . . . 8.15 109.549 179.993 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.52 68.21 1.4 Allowed Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 7.15 109.698 179.889 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -60.11 168.69 5.73 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.197 1.931 . . . . 4.35 110.023 179.978 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.8 mt -80.65 103.72 10.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.139 -0.975 . . . . 4.63 109.555 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.485 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 0.9 OUTLIER -81.3 160.95 24.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.372 -0.83 . . . . 2.85 109.351 179.735 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.56 176.73 27.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.766 -1.334 . . . . 1.12 109.766 179.93 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.58 142.98 47.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -1.123 . . . . 2.11 109.262 179.824 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.485 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 24.0 m-85 -93.89 155.74 17.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.64 109.876 -179.645 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.9 m-85 -138.53 -169.02 2.51 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.287 -0.883 . . . . 0.49 109.352 179.872 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 328' ' ' PHE . 24.8 p -154.13 156.56 37.44 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.038 -1.039 . . . . 0.47 109.605 -179.785 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.61 133.63 18.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.374 -0.829 . . . . 0.42 109.537 -179.815 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.51 131.06 34.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.234 -0.916 . . . . 1.81 109.145 179.838 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.443 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.3 mt -123.43 112.02 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.949 . . . . 0.42 109.697 -179.855 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 145.81 46.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 2.35 109.372 179.724 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.63 136.8 9.12 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.68 -1.368 . . . . 0.41 109.68 179.831 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.533 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.0 ttm180 -80.37 -56.39 4.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -1.124 . . . . 2.59 109.509 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.21 -42.96 87.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.275 -0.89 . . . . 2.54 109.461 179.927 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.79 -43.18 94.54 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.252 -0.905 . . . . 3.39 109.489 -179.984 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.66 -55.5 31.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.318 -0.864 . . . . 0.47 109.658 -179.966 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.4 -36.2 31.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.258 -0.901 . . . . 1.66 109.795 -179.739 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.5 ttp -63.42 -48.59 77.17 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.239 -0.913 . . . . 0.61 110.098 -179.714 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.08 -56.07 25.18 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.92 . . . . 0.33 109.279 -179.825 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.36 -34.63 24.68 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.404 -0.81 . . . . 3.28 109.509 179.743 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.96 -49.78 76.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.068 -1.02 . . . . 1.78 109.621 -179.92 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.52 -34.37 75.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -0.885 . . . . 0.38 108.92 179.755 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.3 -54.14 50.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.482 -0.761 . . . . 1.2 109.718 179.693 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.0 -33.43 75.39 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.424 -0.797 . . . . 2.12 110.119 -179.556 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.98 -53.54 56.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.197 -0.939 . . . . 0.26 109.94 -179.549 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.22 -42.6 98.88 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.233 -0.917 . . . . 0.4 109.669 -179.535 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.05 -34.19 73.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.218 -0.926 . . . . 2.09 109.73 -179.975 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.5 HD21 HE21 ' D' ' 354' ' ' GLN . 7.3 tp -64.57 -47.4 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.34 -0.85 . . . . 0.75 109.657 -179.787 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -61.44 -45.49 94.06 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.317 -0.865 . . . . 2.19 109.171 -179.918 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.09 -30.59 64.46 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.523 -0.736 . . . . 1.34 109.613 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.38 -44.74 82.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 0.72 109.952 -179.489 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.439 HE21 HD21 ' D' ' 350' ' ' LEU . 11.0 mt-30 -82.25 -9.76 59.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.192 -0.942 . . . . 1.8 109.682 -179.696 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.02 -4.72 34.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 1.39 109.635 179.931 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.49 -4.99 90.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 110.074 -1.21 . . . . 1.66 110.074 -179.616 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.52 96.26 10.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.115 -1.226 . . . . 4.45 109.411 179.913 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.549 ' N ' ' HD2' ' C' ' 359' ' ' PRO . 1.2 mm-40 -51.62 -57.05 15.9 Favored Pre-proline 0 N--CA 1.488 1.464 0 O-C-N 121.255 -0.903 . . . . 6.19 109.916 -179.876 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' C' ' 358' ' ' GLU . 4.5 Cg_exo -59.48 148.17 88.22 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 121.767 1.644 . . . . 5.58 110.221 -179.915 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.439 -1.464 . . . . 6.9 109.439 -179.966 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.411 -0.588 . . . . 7.36 109.411 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 58.16 91.49 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 7.15 109.553 179.974 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 60.52 68.26 1.39 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.228 -0.92 . . . . 6.5 109.624 179.896 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -60.05 168.62 5.75 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.147 1.898 . . . . 4.5 110.17 179.855 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 31.5 mt -80.58 103.63 10.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.139 -0.976 . . . . 4.32 109.655 -179.951 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.474 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 0.9 OUTLIER -81.24 160.99 24.13 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.443 -0.786 . . . . 2.46 109.393 179.78 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.61 176.79 27.69 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.733 -1.347 . . . . 0.97 109.733 179.948 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.44 143.01 46.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.185 -1.185 . . . . 1.67 109.179 179.827 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.474 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 24.3 m-85 -93.94 155.97 16.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.205 -0.934 . . . . 0.61 109.703 -179.678 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 79.2 m-85 -138.83 -169.11 2.55 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.353 -0.842 . . . . 0.56 109.337 179.816 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.419 HG23 ' O ' ' D' ' 328' ' ' PHE . 25.0 p -154.04 156.77 37.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.129 -0.982 . . . . 0.43 109.657 -179.864 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -148.74 133.55 17.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.326 -0.859 . . . . 0.35 109.561 -179.753 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -85.53 130.94 34.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 1.37 109.135 179.868 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.0 mt -123.29 112.04 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.48 109.683 -179.813 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 145.85 46.02 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.856 . . . . 2.08 109.41 179.755 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 96.64 136.7 9.08 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.92 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.55 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.0 ttm180 -80.29 -56.34 4.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.245 -1.15 . . . . 2.64 109.569 179.88 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.29 -42.91 87.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 2.22 109.42 179.951 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -59.91 -43.07 95.07 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.246 -0.908 . . . . 2.74 109.467 -179.939 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.448 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.5 t80 -55.91 -55.3 34.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.433 -0.792 . . . . 0.43 109.677 -179.969 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -50.33 -36.22 31.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.873 . . . . 1.69 109.777 -179.837 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.6 ttp -63.59 -48.46 77.28 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.119 -0.988 . . . . 0.43 110.041 -179.592 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -61.1 -56.02 25.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.187 -0.945 . . . . 0.27 109.324 -179.834 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -50.42 -34.56 24.95 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.443 -0.785 . . . . 2.45 109.446 179.788 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.04 -49.74 76.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.112 -0.992 . . . . 1.75 109.547 -179.87 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.57 -34.42 75.56 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.314 -0.866 . . . . 0.31 108.938 179.794 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -59.27 -54.18 49.8 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.438 -0.789 . . . . 1.22 109.684 179.705 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -62.94 -33.4 75.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.368 -0.832 . . . . 1.73 110.096 -179.569 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.69 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.99 -53.5 57.1 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.285 -0.884 . . . . 0.28 110.038 -179.559 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 48.2 mt -61.2 -42.55 98.79 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.302 -0.874 . . . . 0.31 109.671 -179.573 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.19 -34.12 73.17 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.307 -0.871 . . . . 1.91 109.695 -179.922 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.439 HD21 HE21 ' C' ' 354' ' ' GLN . 7.3 tp -64.68 -47.39 78.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.299 -0.875 . . . . 0.43 109.676 -179.776 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -61.32 -45.53 94.07 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.438 -0.789 . . . . 1.57 109.176 -179.998 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.19 -30.5 64.58 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.521 -0.737 . . . . 1.44 109.649 179.836 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.74 82.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.64 110.004 -179.599 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.5 HE21 HD21 ' C' ' 350' ' ' LEU . 10.9 mt-30 -82.25 -9.67 59.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 1.21 109.778 -179.785 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.93 -4.77 34.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.134 -0.979 . . . . 1.22 109.684 179.8 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -81.53 -4.91 90.29 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 110.004 -1.238 . . . . 1.5 110.004 -179.561 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.57 96.3 10.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.12 -1.223 . . . . 4.18 109.414 179.86 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.547 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 1.2 mm-40 -51.76 -56.95 16.73 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.269 -0.894 . . . . 5.67 109.919 -179.877 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 4.6 Cg_exo -59.51 148.13 88.48 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 121.909 1.739 . . . . 5.65 110.176 -179.899 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.495 -1.442 . . . . 7.27 109.495 -179.923 . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' A' ' 322' ' ' PRO . 10.4 mttp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.473 -0.565 . . . . 7.33 109.473 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.18 56.93 4.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -0.891 . . . . 7.21 109.414 179.906 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 62.97 77.3 0.34 Allowed Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.254 -0.904 . . . . 6.47 109.845 179.836 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' A' ' 319' ' ' LYS . 2.4 Cg_endo -68.67 -4.73 13.74 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.103 1.869 . . . . 4.53 110.15 179.657 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.54 33.99 0.58 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.131 -0.981 . . . . 4.35 109.875 179.887 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -78.25 -145.62 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.362 -0.836 . . . . 2.48 109.429 -179.844 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.03 157.53 51.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.421 -1.472 . . . . 0.98 109.421 -179.718 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.01 135.42 56.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.204 -1.174 . . . . 1.7 109.561 -179.866 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -92.92 155.08 17.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.61 109.449 179.874 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.594 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 89.1 m-85 -138.66 -167.46 2.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.291 -0.881 . . . . 0.58 109.711 -179.717 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 17.3 p -152.74 157.41 40.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.42 109.384 -179.865 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 11.0 tp -149.48 132.93 16.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -0.869 . . . . 0.36 109.696 -179.799 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.74 34.75 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.347 -0.846 . . . . 1.37 109.111 179.682 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 341' ' ' PHE . 44.6 mt -123.77 113.89 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.16 -0.962 . . . . 0.47 109.889 -179.742 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -73.98 149.62 41.22 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 2.1 109.563 179.746 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.16 136.7 9.2 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.836 -1.306 . . . . 0.42 109.836 179.638 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.522 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.9 ttt180 -77.8 -61.96 1.83 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.324 -1.104 . . . . 2.68 109.37 179.787 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -39.58 78.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.316 -0.865 . . . . 2.22 109.282 179.802 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.1 87.43 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.263 -0.898 . . . . 2.77 109.577 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.17 -55.77 27.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.448 -0.782 . . . . 0.43 109.713 -179.801 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.0 -35.93 36.55 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.343 -0.848 . . . . 1.66 109.974 -179.717 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.5 -49.61 72.9 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.159 -0.963 . . . . 0.44 110.316 -179.326 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 332' ' ' ILE . 32.4 m-85 -60.74 -49.75 76.24 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.151 -0.968 . . . . 0.29 109.449 -179.757 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 8.0 ttm180 -51.51 -41.96 61.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.279 -0.888 . . . . 2.44 109.82 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -43.38 98.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.172 -0.955 . . . . 1.74 110.15 -179.55 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -62.04 -42.46 99.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.092 -1.005 . . . . 0.3 109.475 -179.733 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -58.4 -50.79 72.43 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.22 109.549 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -62.14 -30.17 70.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.21 -0.931 . . . . 1.72 109.786 -179.936 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.45 -53.71 52.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.27 109.994 -179.651 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.0 -42.31 98.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 0.29 109.662 -179.566 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.66 -36.89 77.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 1.91 109.731 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -64.35 -44.73 90.55 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.41 109.262 -179.815 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.38 -37.2 82.55 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.402 -0.811 . . . . 1.56 108.82 179.613 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -57.11 -32.69 66.57 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.513 -0.742 . . . . 1.43 109.285 179.568 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.68 -49.31 66.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.323 -0.861 . . . . 0.66 109.417 179.999 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.84 1.15 31.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.285 -0.884 . . . . 1.18 109.534 179.942 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.05 -78.06 0.08 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.116 -0.99 . . . . 1.23 109.901 -179.859 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.57 13.29 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 120.292 -0.956 . . . . 1.54 110.796 -179.39 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 0.1 OUTLIER -84.58 133.06 34.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.788 -1.419 . . . . 4.18 109.369 179.872 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -48.34 108.16 0.88 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.26 -0.9 . . . . 5.71 109.55 -179.888 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -60.0 130.31 34.07 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.06 1.84 . . . . 5.61 110.38 -179.889 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.996 -1.447 . . . . 7.24 109.612 179.996 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.412 ' HB3' ' HG3' ' B' ' 322' ' ' PRO . 10.5 mttp . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.507 -0.553 . . . . 7.34 109.507 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.07 56.97 4.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -0.931 . . . . 7.17 109.504 -179.988 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 62.91 77.27 0.34 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.363 -0.835 . . . . 6.44 109.873 179.903 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.412 ' HG3' ' HB3' ' B' ' 319' ' ' LYS . 2.5 Cg_endo -68.51 -4.82 13.76 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.002 1.801 . . . . 4.54 110.289 179.558 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.42 34.04 0.57 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.125 -0.984 . . . . 4.32 109.947 179.879 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -78.34 -146.13 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.359 -0.838 . . . . 2.47 109.364 -179.783 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.25 157.5 49.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.547 -1.421 . . . . 0.95 109.547 -179.838 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.05 135.45 56.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -1.128 . . . . 1.61 109.55 179.953 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -92.99 154.96 17.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.304 -0.873 . . . . 0.57 109.39 179.896 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.517 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 88.6 m-85 -138.57 -167.49 2.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -0.882 . . . . 0.53 109.645 -179.755 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 17.3 p -152.71 157.36 40.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.211 -0.931 . . . . 0.38 109.339 -179.794 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' D' ' 329' ' ' THR . 11.0 tp -149.44 133.0 16.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.237 -0.915 . . . . 0.36 109.727 -179.862 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 41.8 tt0 -86.63 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.358 -0.839 . . . . 1.36 109.007 179.695 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.2 mt -123.88 113.94 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.105 -0.997 . . . . 0.49 109.823 -179.791 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -74.01 149.65 41.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 2.1 109.507 179.765 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.08 136.63 9.16 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.973 -1.251 . . . . 0.44 109.973 179.679 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.401 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.9 ttt180 -77.66 -62.07 1.78 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -1.129 . . . . 2.72 109.316 179.837 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -39.47 78.71 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.401 -0.812 . . . . 2.21 109.298 179.935 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -47.14 87.28 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.323 -0.861 . . . . 2.79 109.617 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.1 -55.87 26.18 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.381 -0.825 . . . . 0.45 109.703 -179.833 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -50.94 -35.97 36.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.68 110.019 -179.72 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.74 72.7 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.176 -0.953 . . . . 0.43 110.303 -179.344 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' B' ' 332' ' ' ILE . 32.0 m-85 -60.83 -49.6 76.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.28 109.416 -179.655 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.52 -41.99 61.42 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.36 -0.837 . . . . 2.52 109.846 179.82 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.14 -43.42 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.288 -0.882 . . . . 1.75 110.081 -179.458 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.459 HD22 HD22 ' A' ' 344' ' ' LEU . 72.9 mt -61.97 -42.59 99.29 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.08 -1.013 . . . . 0.31 109.514 -179.772 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.21 -50.88 71.99 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.32 -0.863 . . . . 1.21 109.574 179.849 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.34 -30.03 70.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.263 -0.898 . . . . 1.69 109.655 -179.757 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.45 -53.69 53.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.228 -0.92 . . . . 0.27 110.074 -179.691 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 56.5 mt -61.04 -42.29 98.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.3 109.599 -179.597 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -59.65 -36.76 77.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.398 -0.814 . . . . 1.93 109.838 -179.885 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.7 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -64.36 -44.73 90.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.196 -0.94 . . . . 0.4 109.316 -179.938 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -61.41 -37.26 82.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 1.59 108.725 179.625 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -57.1 -32.67 66.54 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.526 -0.734 . . . . 1.43 109.311 179.563 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.61 -49.41 66.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.65 109.479 179.923 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.83 1.24 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.857 . . . . 1.19 109.635 179.899 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.09 -78.13 0.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.159 -0.963 . . . . 1.22 109.866 -179.876 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.67 12.85 Favored Glycine 0 N--CA 1.494 2.519 0 C-N-CA 120.304 -0.95 . . . . 1.53 110.795 -179.421 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 0.1 OUTLIER -84.62 133.01 34.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.821 -1.399 . . . . 4.21 109.366 179.873 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -48.27 107.99 0.85 Allowed Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.212 -0.93 . . . . 5.68 109.553 -179.917 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.88 130.25 34.01 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 122.075 1.85 . . . . 5.57 110.353 -179.869 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.509 -1.436 . . . . 7.2 109.509 179.904 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' C' ' 322' ' ' PRO . 10.4 mttp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.467 -0.568 . . . . 8.96 109.467 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.17 56.89 4.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 8.15 109.457 179.939 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 62.95 77.26 0.34 Allowed Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 7.15 109.872 179.871 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' C' ' 319' ' ' LYS . 2.5 Cg_endo -68.51 -4.83 13.79 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.063 1.842 . . . . 4.35 110.237 179.605 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.43 34.12 0.57 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.23 -0.919 . . . . 4.63 109.929 179.852 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.35 -145.83 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.318 -0.864 . . . . 2.85 109.396 -179.845 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.78 157.56 50.65 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.572 -1.411 . . . . 1.12 109.572 -179.811 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.03 135.46 56.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.156 -1.202 . . . . 2.11 109.514 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -92.96 155.03 17.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.185 -0.947 . . . . 0.64 109.322 179.962 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.522 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 89.0 m-85 -138.72 -167.52 2.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.344 -0.848 . . . . 0.49 109.636 -179.75 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 17.4 p -152.76 157.26 40.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.47 109.447 -179.806 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 329' ' ' THR . 11.1 tp -149.35 132.97 16.79 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.42 109.678 -179.744 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.57 129.82 34.72 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 1.81 109.059 179.678 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.51 HD13 ' HB2' ' C' ' 341' ' ' PHE . 44.6 mt -123.85 113.9 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.138 -0.976 . . . . 0.42 109.835 -179.753 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.95 149.74 41.2 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.281 -0.887 . . . . 2.35 109.518 179.732 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.03 136.63 9.15 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.905 -1.278 . . . . 0.41 109.905 179.583 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.594 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.9 ttt180 -77.65 -61.9 1.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -1.124 . . . . 2.59 109.503 179.759 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.14 -39.59 79.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 2.54 109.267 179.813 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -47.18 87.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.318 -0.864 . . . . 3.39 109.596 179.992 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -54.92 -55.91 25.43 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.34 -0.85 . . . . 0.47 109.777 -179.889 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.91 37.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.66 109.979 -179.67 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 ttp -63.35 -49.78 72.55 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.16 -0.962 . . . . 0.61 110.293 -179.42 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.51 ' HB2' HD13 ' C' ' 332' ' ' ILE . 32.2 m-85 -60.78 -49.61 76.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.132 -0.98 . . . . 0.33 109.42 -179.646 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 8.1 ttm180 -51.61 -41.95 61.61 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.278 -0.889 . . . . 3.28 109.787 179.889 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -61.12 -43.39 98.95 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 1.78 110.144 -179.57 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' D' ' 344' ' ' LEU . 72.2 mt -62.09 -42.53 99.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.213 -0.929 . . . . 0.38 109.421 -179.681 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.22 -50.78 72.35 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.325 -0.859 . . . . 1.2 109.606 179.883 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -62.34 -30.09 70.92 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.385 -0.822 . . . . 2.12 109.695 -179.843 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.5 -53.66 53.47 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.253 -0.905 . . . . 0.26 110.016 -179.649 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.0 -42.29 98.15 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.4 109.695 -179.642 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.61 -36.96 77.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.325 -0.859 . . . . 2.09 109.749 -179.863 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.691 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.5 tt -64.36 -44.76 90.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.881 . . . . 0.75 109.261 -179.817 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 16.0 ttmm -61.37 -37.22 82.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.348 -0.845 . . . . 2.19 108.75 179.594 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -57.03 -32.68 66.43 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.471 -0.768 . . . . 1.34 109.331 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.75 -49.26 66.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.194 -0.941 . . . . 0.72 109.439 179.99 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.432 ' NE2' HD11 ' D' ' 350' ' ' LEU . 5.7 mt-30 -80.85 1.03 32.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.286 -0.884 . . . . 1.8 109.515 179.911 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.92 -78.09 0.08 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.157 -0.964 . . . . 1.39 109.923 -179.808 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.49 8.54 13.42 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 110.788 -0.925 . . . . 1.66 110.788 -179.425 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 0.1 OUTLIER -84.57 133.17 34.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.815 -1.403 . . . . 4.45 109.389 179.849 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -48.51 108.12 0.88 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 6.19 109.477 -179.828 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -59.89 130.41 34.7 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 121.953 1.769 . . . . 5.58 110.354 -179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 118.062 -1.41 . . . . 6.9 109.634 179.941 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.415 ' HB3' ' HG3' ' D' ' 322' ' ' PRO . 10.5 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.393 -0.595 . . . . 7.36 109.393 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm 57.13 56.93 4.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 7.15 109.476 179.995 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.6 mttt 63.01 77.13 0.34 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.354 -0.841 . . . . 6.5 109.874 179.831 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.415 ' HG3' ' HB3' ' D' ' 319' ' ' LYS . 2.5 Cg_endo -68.52 -4.75 13.63 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.02 1.814 . . . . 4.5 110.275 179.622 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 17.3 mt -85.47 34.15 0.58 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.07 -1.019 . . . . 4.32 109.98 179.745 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -78.37 -146.01 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.219 -0.926 . . . . 2.46 109.363 -179.856 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -66.57 157.58 50.1 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.59 -1.404 . . . . 0.97 109.59 -179.802 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.07 135.48 57.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.31 -1.111 . . . . 1.67 109.511 -179.86 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -93.07 154.98 17.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -0.966 . . . . 0.61 109.376 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 88.6 m-85 -138.54 -167.55 2.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.223 -0.923 . . . . 0.56 109.704 -179.72 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 17.5 p -152.63 157.47 41.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.43 109.447 -179.87 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.53 132.92 16.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.942 . . . . 0.35 109.686 -179.817 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -86.53 129.97 34.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.81 . . . . 1.37 109.071 179.629 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.2 mt -123.93 113.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.079 -1.013 . . . . 0.48 109.826 -179.743 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -73.99 149.66 41.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.386 -0.821 . . . . 2.08 109.475 179.824 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 136.68 9.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.911 -1.276 . . . . 0.4 109.911 179.565 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.9 ttt180 -77.71 -62.02 1.8 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.226 -1.161 . . . . 2.64 109.375 179.822 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -39.45 78.98 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.852 . . . . 2.22 109.304 179.89 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -47.05 87.66 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.238 -0.914 . . . . 2.74 109.614 179.921 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -55.1 -55.84 26.56 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.429 -0.795 . . . . 0.43 109.691 -179.826 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.06 -35.89 37.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 1.69 110.009 -179.661 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.2 ttp -63.41 -49.72 72.65 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.111 -0.993 . . . . 0.43 110.308 -179.352 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.514 ' HB2' HD13 ' D' ' 332' ' ' ILE . 32.3 m-85 -60.82 -49.54 77.07 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.241 -0.912 . . . . 0.27 109.492 -179.709 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -51.54 -42.01 61.48 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -0.87 . . . . 2.45 109.835 179.771 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.11 -43.43 98.89 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.211 -0.93 . . . . 1.75 110.095 -179.501 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.443 HD22 HD22 ' C' ' 344' ' ' LEU . 73.1 mt -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.177 -0.952 . . . . 0.31 109.524 -179.775 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -58.23 -50.86 72.09 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.22 109.553 179.928 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -62.27 -30.1 70.88 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 1.73 109.674 -179.78 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.31 -53.81 51.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.239 -0.913 . . . . 0.28 110.042 -179.676 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.01 -42.33 98.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.26 -0.9 . . . . 0.31 109.654 -179.551 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -59.63 -36.82 77.11 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.243 -0.911 . . . . 1.91 109.783 -179.899 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.683 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.34 -44.73 90.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.347 -0.845 . . . . 0.43 109.219 -179.846 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 15.9 ttmm -61.41 -37.21 82.65 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.234 -0.916 . . . . 1.57 108.773 179.597 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -57.14 -32.66 66.6 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.488 -0.757 . . . . 1.44 109.284 179.524 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.67 -49.39 66.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.64 109.434 179.952 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.78 1.03 32.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 1.21 109.586 179.935 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.93 -78.16 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 1.22 109.917 -179.86 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.36 8.55 12.92 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.777 -0.929 . . . . 1.5 110.777 -179.434 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 0.1 OUTLIER -84.64 133.05 34.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.863 -1.374 . . . . 4.18 109.398 179.918 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -48.23 108.14 0.87 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.136 -0.977 . . . . 5.67 109.495 -179.942 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.97 130.3 34.06 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.026 1.817 . . . . 5.65 110.332 -179.916 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 117.956 -1.469 . . . . 7.27 109.584 179.884 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 5.2 mttt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.247 0.546 . . . . 7.33 109.542 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.08 88.91 0.07 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.324 -0.86 . . . . 7.21 109.506 179.953 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.76 73.83 0.71 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 6.47 109.622 179.888 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.18 -2.67 9.34 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.191 1.928 . . . . 4.53 110.658 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 83.2 mt -81.32 102.87 10.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.905 -1.122 . . . . 4.35 109.567 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 6.2 m-20 -81.05 -174.68 5.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.317 -0.865 . . . . 2.48 109.351 179.812 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.11 -175.71 12.05 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.304 -1.518 . . . . 0.98 109.304 179.859 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.96 136.41 57.9 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.096 -1.238 . . . . 1.7 109.344 179.925 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 70.1 m-85 -93.45 158.4 15.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.911 . . . . 0.61 109.515 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' C' ' 331' ' ' GLN . 98.6 m-85 -138.8 -171.33 3.05 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.224 -0.923 . . . . 0.58 109.369 179.921 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 35.2 p -154.36 152.88 30.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.951 . . . . 0.42 109.517 -179.883 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.578 HD21 ' HB2' ' C' ' 345' ' ' ASN . 12.8 tp -147.57 133.18 18.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.232 -0.918 . . . . 0.36 109.464 -179.788 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.451 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 35.0 tt0 -85.88 135.03 33.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.341 -0.849 . . . . 1.37 109.465 -179.917 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' A' ' 341' ' ' PHE . 35.9 mt -123.42 113.22 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.47 109.379 179.843 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.445 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.0 OUTLIER -73.67 141.03 46.47 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.301 -0.874 . . . . 2.1 109.482 -179.937 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.92 10.55 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.788 -1.325 . . . . 0.42 109.788 179.922 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -75.59 -64.24 1.12 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -1.171 . . . . 2.68 109.5 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.42 -35.95 70.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 2.22 109.131 179.898 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.449 HH11 ' HB2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -57.99 -47.54 82.69 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.41 -0.806 . . . . 2.77 109.445 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.584 ' CD1' HD12 ' A' ' 332' ' ' ILE . 40.9 t80 -56.26 -55.7 30.13 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.515 -0.741 . . . . 0.43 109.624 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.91 -37.95 54.43 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.418 -0.801 . . . . 1.66 110.264 -179.643 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.06 -47.68 81.89 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.149 -0.969 . . . . 0.44 110.34 -179.162 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.67 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.4 m-85 -61.81 -49.43 76.34 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.29 109.451 -179.588 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.37 -37.35 47.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.371 -0.831 . . . . 2.44 109.857 -179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.4 -50.98 71.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.27 -0.894 . . . . 1.74 110.013 -179.558 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 344' ' ' LEU . 86.1 mt -60.99 -33.7 73.65 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.181 -0.949 . . . . 0.3 108.996 179.962 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.59 ' HB2' HD21 ' C' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.67 31.7 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.362 -0.836 . . . . 1.22 109.512 179.633 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.84 -28.19 69.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 1.72 109.836 -179.712 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -57.75 11.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.88 . . . . 0.27 109.927 -179.642 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 35.8 mt -60.61 -37.43 81.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.29 109.409 -179.849 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -60.05 -36.27 76.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.181 -0.949 . . . . 1.91 109.506 179.782 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 350' ' ' LEU . 20.4 tp -64.24 -43.41 94.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.36 -0.838 . . . . 0.41 109.469 179.918 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.52 -47.07 87.25 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.464 -0.773 . . . . 1.56 109.079 179.896 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.22 -29.67 65.9 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.594 -0.691 . . . . 1.43 109.783 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.7 90.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.27 -0.893 . . . . 0.66 110.003 -179.281 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 357' ' ' LYS . 3.4 mt-30 -83.83 -25.72 30.12 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.165 -0.959 . . . . 1.18 109.771 -179.83 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.78 -4.74 39.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 1.23 109.767 179.794 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.73 -4.8 85.78 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.955 -1.258 . . . . 1.54 109.955 -179.565 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 357' ' ' LYS . 0.0 OUTLIER -88.16 91.89 8.95 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.269 . . . . 4.18 109.437 179.921 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.1 152.78 5.37 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.152 -0.968 . . . . 5.71 109.463 179.951 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.47 136.01 60.78 Favored 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.118 1.879 . . . . 5.61 110.13 179.925 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 118.04 -1.422 . . . . 7.24 109.578 -179.996 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.473 -0.566 . . . . 7.34 109.473 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.03 88.88 0.07 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 7.17 109.525 179.934 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.83 73.72 0.72 Allowed Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.312 -0.867 . . . . 6.44 109.579 179.875 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.1 -2.54 9.04 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.231 1.954 . . . . 4.54 110.622 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 83.1 mt -81.38 102.83 10.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.998 -1.064 . . . . 4.32 109.594 179.963 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.464 ' HB3' ' HD2' ' D' ' 333' ' ' ARG . 6.1 m-20 -80.9 -174.64 4.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.36 -0.838 . . . . 2.47 109.408 179.813 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.12 -175.69 12.07 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.259 -1.536 . . . . 0.95 109.259 179.752 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.97 136.41 57.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -1.147 . . . . 1.61 109.363 179.832 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.459 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 70.6 m-85 -93.49 158.47 15.7 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.245 -0.909 . . . . 0.57 109.494 -179.91 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 98.7 m-85 -138.89 -171.5 3.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.53 109.393 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.552 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 34.9 p -154.18 153.15 31.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.273 -0.892 . . . . 0.38 109.43 -179.923 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' D' ' 345' ' ' ASN . 12.7 tp -147.7 133.12 18.59 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.228 -0.92 . . . . 0.36 109.416 -179.81 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 35.1 tt0 -85.87 135.14 33.82 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.31 -0.869 . . . . 1.36 109.501 179.924 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.679 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.3 mt -123.57 113.29 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.49 109.355 179.83 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.443 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.0 OUTLIER -73.7 140.98 46.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.428 -0.795 . . . . 2.1 109.52 -179.942 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.46 139.9 10.52 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.757 -1.337 . . . . 0.44 109.757 179.914 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.497 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -75.51 -64.34 1.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 2.72 109.523 179.848 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -57.26 -36.12 70.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.854 . . . . 2.21 109.125 179.885 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.444 ' HB2' HH11 ' B' ' 337' ' ' ARG . 0.0 OUTLIER -57.89 -47.66 82.13 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.404 -0.81 . . . . 2.79 109.461 179.907 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' B' ' 332' ' ' ILE . 41.4 t80 -56.1 -55.82 28.38 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.474 -0.766 . . . . 0.45 109.655 179.897 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.75 -38.11 54.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.37 -0.831 . . . . 1.68 110.234 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.04 -47.69 81.92 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.123 -0.986 . . . . 0.43 110.297 -179.042 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.679 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -61.74 -49.39 76.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.28 109.54 -179.635 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.33 -37.46 47.86 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.382 -0.824 . . . . 2.52 109.921 179.961 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.2 -51.22 70.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.143 -0.973 . . . . 1.75 110.038 -179.646 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' B' ' 344' ' ' LEU . 86.5 mt -60.92 -33.65 73.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.31 109.01 179.975 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.541 ' HB2' HD21 ' D' ' 330' ' ' LEU . 21.4 t-20 -59.41 -55.79 30.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.5 -0.75 . . . . 1.21 109.496 179.658 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.62 -28.3 69.83 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 1.69 109.857 -179.733 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.31 -57.63 11.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.943 . . . . 0.27 109.975 -179.606 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 35.9 mt -60.76 -37.3 81.38 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.933 . . . . 0.3 109.372 -179.835 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.06 -36.39 77.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 1.93 109.389 179.746 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 350' ' ' LEU . 20.4 tp -64.22 -43.41 95.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.321 -0.862 . . . . 0.4 109.524 -180.0 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.48 -47.16 86.93 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.382 -0.824 . . . . 1.59 109.022 179.858 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.12 -29.72 65.74 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.415 0.626 . . . . 1.43 109.865 179.771 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.8 91.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.266 -0.896 . . . . 0.65 110.024 -179.229 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' B' ' 357' ' ' LYS . 3.4 mt-30 -83.76 -25.74 30.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.124 -0.985 . . . . 1.19 109.714 -179.774 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.78 -4.79 39.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.298 -0.876 . . . . 1.22 109.699 179.892 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.78 -4.76 85.84 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.967 -1.253 . . . . 1.53 109.967 -179.499 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' B' ' 357' ' ' LYS . 0.0 OUTLIER -88.25 91.86 8.94 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.122 -1.222 . . . . 4.21 109.45 179.969 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.09 152.72 5.4 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.237 -0.915 . . . . 5.68 109.48 -179.986 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -61.36 135.97 60.99 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.159 1.906 . . . . 5.57 110.178 179.936 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.92 -1.489 . . . . 7.2 109.555 -179.972 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 109.452 -0.573 . . . . 8.96 109.452 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt 60.0 88.9 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.313 -0.867 . . . . 8.15 109.547 179.844 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.77 73.84 0.71 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.85 . . . . 7.15 109.517 179.946 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -68.09 -2.7 9.3 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.255 1.97 . . . . 4.35 110.637 179.919 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 83.7 mt -81.32 102.93 10.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.949 -1.095 . . . . 4.63 109.458 -179.917 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.449 ' HB2' ' CZ ' ' C' ' 327' ' ' TYR . 6.2 m-20 -81.06 -174.69 5.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.351 -0.843 . . . . 2.85 109.321 179.76 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.09 -175.63 11.86 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.245 -1.542 . . . . 1.12 109.245 179.824 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.05 136.35 57.92 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.15 -1.206 . . . . 2.11 109.298 179.92 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' C' ' 324' ' ' ASP . 70.1 m-85 -93.3 158.45 15.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.27 -0.894 . . . . 0.64 109.544 -179.994 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 98.6 m-85 -138.89 -171.43 3.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.49 109.412 179.885 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.537 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 34.9 p -154.23 152.92 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.938 . . . . 0.47 109.543 -179.922 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' A' ' 345' ' ' ASN . 12.8 tp -147.48 133.25 18.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.187 -0.945 . . . . 0.42 109.381 -179.715 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 35.0 tt0 -86.07 135.05 33.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 1.81 109.48 179.986 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.669 HD13 ' HB2' ' C' ' 341' ' ' PHE . 35.8 mt -123.44 113.34 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.138 -0.976 . . . . 0.42 109.403 179.815 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.4 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.0 OUTLIER -73.75 141.0 46.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.377 -0.827 . . . . 2.35 109.499 -179.915 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.37 139.84 10.51 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.756 -1.338 . . . . 0.41 109.756 179.871 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.476 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -75.46 -64.27 1.1 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -1.047 . . . . 2.59 109.545 179.894 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.33 -35.95 70.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.877 . . . . 2.54 109.208 179.86 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.44 HH11 ' HB2' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.61 82.45 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.348 -0.845 . . . . 3.39 109.405 179.874 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.576 ' HD1' HD12 ' C' ' 332' ' ' ILE . 40.9 t80 -56.18 -55.72 29.69 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.478 -0.764 . . . . 0.47 109.621 179.948 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.01 -37.86 54.86 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.39 -0.819 . . . . 1.66 110.208 -179.63 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.5 ttp -63.07 -47.64 82.05 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.061 -1.024 . . . . 0.61 110.45 -179.173 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.669 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.2 m-85 -61.85 -49.26 76.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.182 -0.949 . . . . 0.33 109.515 -179.679 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -51.45 -37.44 48.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.848 . . . . 3.28 109.79 179.993 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.36 -50.98 71.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.134 -0.979 . . . . 1.78 110.006 -179.529 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.0 -33.76 73.75 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.934 . . . . 0.38 108.955 179.944 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.578 ' HB2' HD21 ' A' ' 330' ' ' LEU . 21.3 t-20 -59.36 -55.61 32.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.418 -0.801 . . . . 1.2 109.589 179.64 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.91 -28.11 69.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.427 -0.795 . . . . 2.12 109.865 -179.759 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -57.65 11.87 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.224 -0.922 . . . . 0.26 109.911 -179.653 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.79 -37.34 81.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.4 -0.812 . . . . 0.4 109.372 -179.74 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.01 -36.37 77.06 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.342 -0.849 . . . . 2.09 109.429 179.769 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.487 HD21 ' NE2' ' D' ' 354' ' ' GLN . 20.4 tp -64.23 -43.39 95.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.292 -0.88 . . . . 0.75 109.458 -179.971 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.23 86.57 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.395 -0.816 . . . . 2.19 109.021 179.882 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.05 -29.64 65.54 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.588 -0.695 . . . . 1.34 109.891 179.707 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.6 90.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.311 -0.868 . . . . 0.72 110.067 -179.267 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 3.4 mt-30 -83.89 -25.7 29.99 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 1.8 109.741 -179.854 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.76 -4.8 39.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.92 . . . . 1.39 109.692 179.792 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.68 -4.96 85.89 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.941 -1.264 . . . . 1.66 109.941 -179.452 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' C' ' 357' ' ' LYS . 0.0 OUTLIER -88.11 91.83 8.92 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.105 -1.233 . . . . 4.45 109.386 -179.967 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.03 152.71 5.31 Favored Pre-proline 0 N--CA 1.491 1.62 0 O-C-N 121.232 -0.918 . . . . 6.19 109.443 179.859 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.4 135.95 60.72 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.172 1.915 . . . . 5.58 110.091 179.953 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 118.016 -1.436 . . . . 6.9 109.6 179.959 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.297 0.57 . . . . 7.36 109.473 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt 59.98 88.94 0.07 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.183 -0.948 . . . . 7.15 109.578 -179.991 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.82 73.79 0.71 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.239 -0.913 . . . . 6.5 109.528 179.876 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -68.12 -2.65 9.24 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.227 1.951 . . . . 4.5 110.693 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 82.9 mt -81.24 102.87 10.63 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.027 -1.045 . . . . 4.32 109.594 179.982 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.456 ' HB2' ' CZ ' ' D' ' 327' ' ' TYR . 6.4 m-20 -81.09 -174.71 5.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.398 -0.814 . . . . 2.46 109.294 179.888 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.9 -175.78 11.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.323 -1.511 . . . . 0.97 109.323 179.731 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -59.0 136.46 57.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -1.168 . . . . 1.67 109.357 179.825 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.456 ' CZ ' ' HB2' ' D' ' 324' ' ' ASP . 69.7 m-85 -93.37 158.46 15.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.313 -0.867 . . . . 0.61 109.539 -179.969 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 98.6 m-85 -138.92 -171.4 3.08 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.195 -0.941 . . . . 0.56 109.437 179.898 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.541 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 34.8 p -154.26 153.01 30.97 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.214 -0.929 . . . . 0.43 109.427 -179.87 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.8 tp -147.59 133.14 18.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.35 109.515 -179.855 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.425 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.0 tt0 -85.97 135.11 33.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.265 -0.897 . . . . 1.37 109.429 -179.941 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.667 HD13 ' HB2' ' D' ' 341' ' ' PHE . 35.9 mt -123.53 113.37 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.48 109.315 179.86 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' B' ' 324' ' ' ASP . 0.0 OUTLIER -73.79 141.0 46.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.341 -0.849 . . . . 2.08 109.501 -179.957 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 103.5 139.83 10.47 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.765 -1.334 . . . . 0.4 109.765 179.856 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.489 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -75.45 -64.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.299 -1.118 . . . . 2.64 109.458 179.902 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.32 -35.95 70.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.262 -0.899 . . . . 2.22 109.157 179.97 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.433 HH11 ' HB2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -57.97 -47.64 82.34 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.311 -0.868 . . . . 2.74 109.366 179.844 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' D' ' 332' ' ' ILE . 41.3 t80 -56.21 -55.75 29.41 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.438 -0.789 . . . . 0.43 109.579 179.994 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -51.86 -38.04 54.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.415 -0.803 . . . . 1.69 110.247 -179.651 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.6 ttp -63.09 -47.58 82.25 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.096 -1.002 . . . . 0.43 110.296 -179.05 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.667 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.2 m-85 -61.84 -49.38 76.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.131 -0.98 . . . . 0.27 109.491 -179.632 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -51.38 -37.43 48.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.358 -0.839 . . . . 2.45 109.854 179.99 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.3 -51.21 70.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.197 -0.939 . . . . 1.75 109.884 -179.535 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' D' ' 344' ' ' LEU . 86.6 mt -60.82 -33.79 73.56 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.142 -0.973 . . . . 0.31 108.99 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.534 ' HB2' HD21 ' B' ' 330' ' ' LEU . 21.4 t-20 -59.33 -55.78 30.43 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.504 -0.748 . . . . 1.22 109.52 179.662 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -63.79 -28.13 69.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 1.73 109.897 -179.749 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.38 -57.6 12.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.28 109.973 -179.673 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.73 -37.34 81.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.31 109.333 -179.822 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.03 -36.32 77.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 1.91 109.484 179.77 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' D' ' 350' ' ' LEU . 20.5 tp -64.41 -43.3 94.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.359 -0.838 . . . . 0.43 109.415 -179.888 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -61.5 -47.06 87.35 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.362 -0.836 . . . . 1.57 109.07 179.82 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.32 -29.62 66.06 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.618 -0.676 . . . . 1.44 109.799 179.775 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.73 90.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 0.64 109.991 -179.291 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.487 ' NE2' HD21 ' C' ' 350' ' ' LEU . 3.4 mt-30 -83.89 -25.64 30.05 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.085 -1.009 . . . . 1.21 109.744 -179.818 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.8 -4.84 40.08 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.337 -0.852 . . . . 1.22 109.691 179.779 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -77.68 -4.88 85.78 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.947 -1.261 . . . . 1.5 109.947 -179.553 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' D' ' 357' ' ' LYS . 0.0 OUTLIER -88.14 91.95 8.97 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.109 -1.23 . . . . 4.18 109.457 179.916 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -52.13 152.8 5.39 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.278 -0.889 . . . . 5.67 109.384 179.977 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.45 135.95 60.54 Favored 'Trans proline' 0 C--N 1.309 -1.515 0 C-N-CA 122.239 1.96 . . . . 5.65 110.106 179.902 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 118.056 -1.413 . . . . 7.27 109.575 179.987 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.447 -0.575 . . . . 7.33 109.447 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 0.0 OUTLIER 60.22 68.75 0.74 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.196 -0.94 . . . . 7.21 109.447 -179.901 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.541 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.5 OUTLIER 42.8 59.15 11.11 Favored Pre-proline 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.752 . . . . 6.47 110.039 -179.857 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.5 Cg_endo -61.1 -174.28 0.11 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.22 1.947 . . . . 4.53 110.085 179.74 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 22.2 mt -80.36 107.24 12.99 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.187 -0.946 . . . . 4.35 109.1 179.838 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.1 105.66 13.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 2.48 109.888 -179.706 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.555 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -71.06 163.45 53.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.279 -1.529 . . . . 0.98 109.279 179.398 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.32 123.16 15.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.065 -1.256 . . . . 1.7 109.3 179.799 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.555 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 60.9 m-85 -95.19 152.14 18.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.16 -0.963 . . . . 0.61 109.66 -179.961 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 78.3 m-85 -141.23 -174.88 4.14 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -0.892 . . . . 0.58 109.495 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 18.2 p -152.09 158.91 43.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.42 109.36 -179.91 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.13 132.78 16.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.263 -0.898 . . . . 0.36 109.548 -179.65 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 15.8 tt0 -85.96 129.75 34.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.293 -0.879 . . . . 1.37 109.381 179.825 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.81 116.92 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.173 -0.954 . . . . 0.47 109.646 -179.956 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -74.28 148.94 40.98 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.883 . . . . 2.1 109.534 179.817 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.51 136.26 7.44 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.726 -1.35 . . . . 0.42 109.726 179.622 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.589 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 15.5 ttm180 -81.93 -52.11 7.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.417 -1.049 . . . . 2.68 109.704 179.931 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -58.16 -46.53 85.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.828 . . . . 2.22 109.576 -179.968 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.67 96.32 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.249 -0.907 . . . . 2.77 109.624 -179.693 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' C' ' 329' ' ' THR . 54.3 t80 -55.22 -55.01 36.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.46 -0.775 . . . . 0.43 109.868 -179.61 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -51.21 -37.61 47.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.272 -0.892 . . . . 1.66 110.011 -179.491 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.03 -48.33 79.23 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.21 -0.932 . . . . 0.44 110.357 -179.273 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.64 -49.14 78.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.098 -1.001 . . . . 0.29 109.392 -179.664 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.76 -43.39 62.93 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.417 -0.802 . . . . 2.44 109.829 -179.957 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.38 -40.75 91.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.267 -0.896 . . . . 1.74 109.998 -179.55 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' B' ' 344' ' ' LEU . 23.8 mt -62.17 -43.82 97.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.137 -0.977 . . . . 0.3 109.42 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -58.21 -49.85 75.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 1.22 109.642 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.46 -31.26 71.95 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.368 -0.833 . . . . 1.72 109.881 -179.656 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.28 -55.78 29.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.262 -0.899 . . . . 0.27 110.105 -179.583 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.65 -39.11 87.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.318 -0.863 . . . . 0.29 109.611 -179.535 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.82 -38.02 80.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.351 -0.843 . . . . 1.91 109.627 179.945 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.745 HD11 ' NE2' ' B' ' 354' ' ' GLN . 1.5 tt -64.8 -39.9 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.303 -0.873 . . . . 0.41 109.311 -179.732 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.703 ' HD3' HD12 ' B' ' 350' ' ' LEU . 0.7 OUTLIER -60.46 -48.02 83.59 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.609 -0.886 . . . . 1.56 108.609 179.521 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -29.88 64.82 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.731 -0.606 . . . . 1.43 109.372 179.423 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.45 74.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.447 -0.783 . . . . 0.66 109.57 -179.737 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.512 ' NE2' HD11 ' B' ' 350' ' ' LEU . 2.5 mt-30 -80.56 -45.65 17.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 1.18 109.331 179.746 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.96 -3.0 20.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 1.23 109.645 179.74 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.37 -60.44 4.75 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.672 -1.371 . . . . 1.54 109.672 -179.839 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -85.72 101.54 12.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -1.121 . . . . 4.18 109.53 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.39 152.02 4.83 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 5.71 109.575 -179.941 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.51 139.63 82.9 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.217 1.945 . . . . 5.61 110.204 179.9 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.0 -1.444 . . . . 7.24 109.513 -179.985 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.305 0.574 . . . . 7.34 109.46 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER 60.24 68.72 0.75 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.176 -0.953 . . . . 7.17 109.45 -179.86 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.5 OUTLIER 42.75 59.15 11.04 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 6.44 109.994 -179.905 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.5 Cg_endo -61.09 -174.34 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.154 1.903 . . . . 4.54 110.125 179.667 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.19 107.21 12.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.199 -0.938 . . . . 4.32 109.158 179.81 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -82.12 106.09 13.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 2.47 109.794 -179.743 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.547 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -71.71 163.6 54.27 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.175 -1.57 . . . . 0.95 109.175 179.455 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.31 123.1 15.63 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.143 -1.21 . . . . 1.61 109.334 179.894 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 61.1 m-85 -95.17 152.35 18.43 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.148 -0.97 . . . . 0.57 109.587 -179.962 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 78.0 m-85 -141.36 -174.81 4.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.268 -0.895 . . . . 0.53 109.508 179.954 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.486 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 18.2 p -152.1 158.93 43.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.137 -0.977 . . . . 0.38 109.316 -179.831 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.18 132.81 16.81 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.176 -0.952 . . . . 0.36 109.644 -179.759 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 15.9 tt0 -86.05 129.68 34.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.36 109.289 179.947 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.86 117.12 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.212 -0.93 . . . . 0.49 109.578 179.991 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.52 148.96 40.46 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -0.84 . . . . 2.1 109.444 179.873 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.45 136.07 7.33 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.765 -1.334 . . . . 0.44 109.765 179.719 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.542 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 15.7 ttm180 -81.78 -52.13 7.44 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.347 -1.09 . . . . 2.72 109.65 -179.99 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.37 -46.22 86.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.338 -0.851 . . . . 2.21 109.642 -179.884 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.03 -41.61 96.89 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.302 -0.874 . . . . 2.79 109.609 -179.762 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.47 ' CE1' ' O ' ' D' ' 329' ' ' THR . 54.6 t80 -55.21 -55.11 35.04 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.421 -0.8 . . . . 0.45 109.883 -179.645 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -51.06 -37.63 46.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.331 -0.856 . . . . 1.68 110.093 -179.551 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.12 -48.2 79.51 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.142 -0.974 . . . . 0.43 110.347 -179.263 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.76 -49.03 79.15 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.176 -0.952 . . . . 0.28 109.48 -179.644 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.77 -43.41 62.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.369 -0.832 . . . . 2.52 109.796 179.972 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.23 -40.89 91.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 1.75 110.006 -179.62 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.757 HD22 HD22 ' A' ' 344' ' ' LEU . 24.0 mt -62.09 -43.92 97.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.306 -0.871 . . . . 0.31 109.448 -179.76 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.15 -49.8 75.75 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.357 -0.839 . . . . 1.21 109.764 -179.993 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.5 -31.15 71.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.917 . . . . 1.69 109.914 -179.786 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.606 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.43 -55.75 29.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.217 -0.927 . . . . 0.27 110.105 -179.666 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.69 -39.07 87.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.3 109.536 -179.53 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.84 -37.91 80.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.328 -0.858 . . . . 1.93 109.689 179.922 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.748 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.5 tt -64.85 -39.92 94.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.4 109.35 -179.807 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -48.09 83.24 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.576 -0.898 . . . . 1.59 108.576 179.539 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.91 64.75 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 109.335 -0.617 . . . . 1.43 109.335 179.457 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.19 -32.37 74.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.65 109.51 -179.697 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.745 ' NE2' HD11 ' A' ' 350' ' ' LEU . 2.5 mt-30 -80.57 -45.7 16.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 1.19 109.324 179.787 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.98 -3.04 20.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.314 -0.866 . . . . 1.22 109.662 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.39 -60.36 4.79 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.637 -1.385 . . . . 1.53 109.637 -179.859 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -85.85 101.47 12.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.321 -1.106 . . . . 4.21 109.5 -179.896 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.28 152.19 4.48 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 5.68 109.604 -179.932 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.62 139.57 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.284 1.989 . . . . 5.57 110.156 179.885 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 117.951 -1.472 . . . . 7.2 109.58 179.913 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.548 -0.538 . . . . 8.96 109.548 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 0.0 OUTLIER 60.18 68.67 0.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.195 -0.941 . . . . 8.15 109.432 -179.913 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.539 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.5 OUTLIER 42.95 59.01 11.44 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.558 -0.714 . . . . 7.15 110.069 -179.951 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.5 Cg_endo -61.13 -174.31 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.137 1.891 . . . . 4.35 110.131 179.805 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 21.9 mt -80.24 107.28 12.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 4.63 109.24 179.797 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.15 105.9 13.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.474 -0.766 . . . . 2.85 109.867 -179.646 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.546 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -71.3 163.61 54.05 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.167 -1.573 . . . . 1.12 109.167 179.495 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.5 123.16 15.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -1.219 . . . . 2.11 109.316 179.833 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 61.2 m-85 -95.2 152.44 18.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.154 -0.966 . . . . 0.64 109.541 -179.904 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.589 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 78.4 m-85 -141.38 -174.88 4.15 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.2 -0.938 . . . . 0.49 109.475 -179.989 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.515 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 18.1 p -152.11 159.01 43.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.214 -0.929 . . . . 0.47 109.307 -179.908 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -149.26 132.74 16.67 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.256 -0.902 . . . . 0.42 109.561 -179.684 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -85.96 129.76 34.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 1.81 109.397 179.824 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 47.8 mt -123.85 117.04 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.167 -0.958 . . . . 0.42 109.561 -179.937 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.37 148.93 40.8 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 2.35 109.494 179.778 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.5 136.44 7.51 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.7 -1.36 . . . . 0.41 109.7 179.658 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.611 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 15.5 ttm180 -82.16 -52.07 7.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -1.133 . . . . 2.59 109.656 179.928 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -58.32 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.267 -0.895 . . . . 2.54 109.592 -179.942 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.83 -41.64 96.15 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.255 -0.903 . . . . 3.39 109.738 -179.8 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.3 t80 -55.25 -55.02 36.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.745 . . . . 0.47 109.913 -179.634 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.06 -37.66 46.84 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.246 -0.909 . . . . 1.66 110.029 -179.622 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.19 -48.27 79.05 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.179 -0.951 . . . . 0.61 110.269 -179.147 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -60.67 -49.09 78.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.111 -0.993 . . . . 0.33 109.448 -179.637 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -51.55 -43.6 62.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.374 -0.829 . . . . 3.28 109.841 179.931 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.22 -40.89 91.78 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -0.907 . . . . 1.78 109.966 -179.464 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' D' ' 344' ' ' LEU . 23.6 mt -62.13 -43.83 97.97 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.26 -0.9 . . . . 0.38 109.455 -179.726 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.323 -0.861 . . . . 1.2 109.671 179.975 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.43 -31.32 72.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.303 -0.873 . . . . 2.12 109.858 -179.68 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.2 -0.937 . . . . 0.26 110.085 -179.581 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 68.6 mt -60.64 -39.12 87.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.319 -0.863 . . . . 0.4 109.581 -179.529 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.78 -38.07 80.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.26 -0.9 . . . . 2.09 109.676 179.954 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.729 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.71 -39.97 94.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.226 -0.922 . . . . 0.75 109.367 -179.777 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' D' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.11 83.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 2.19 108.644 179.497 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.49 -29.88 64.63 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.407 0.622 . . . . 1.34 109.373 179.395 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.22 -32.34 73.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.292 -0.88 . . . . 0.72 109.491 -179.615 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' D' ' 350' ' ' LEU . 2.5 mt-30 -80.64 -45.6 17.0 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.164 -0.96 . . . . 1.8 109.314 179.812 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.07 -2.98 20.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.331 -0.856 . . . . 1.39 109.624 179.761 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.36 -60.4 4.77 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.659 -1.376 . . . . 1.66 109.659 -179.837 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -85.73 101.44 12.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -1.178 . . . . 4.45 109.467 -179.889 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.34 152.12 4.65 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.312 -0.867 . . . . 6.19 109.592 -179.979 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.6 139.63 82.39 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.142 1.894 . . . . 5.58 110.167 179.908 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.976 -1.458 . . . . 6.9 109.524 179.976 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.538 -0.542 . . . . 7.36 109.538 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER 60.27 68.68 0.75 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.239 -0.913 . . . . 7.15 109.401 -179.885 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.5 OUTLIER 42.85 59.13 11.21 Favored Pre-proline 0 N--CA 1.493 1.71 0 O-C-N 121.55 -0.719 . . . . 6.5 109.967 -179.965 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.5 Cg_endo -61.1 -174.35 0.11 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.192 1.928 . . . . 4.5 110.111 179.678 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.23 107.21 12.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.938 . . . . 4.32 109.22 179.784 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -82.14 105.9 13.61 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.338 -0.851 . . . . 2.46 109.91 -179.715 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.543 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -71.35 163.56 54.09 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.248 -1.541 . . . . 0.97 109.248 179.487 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -59.46 123.14 15.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.12 -1.223 . . . . 1.67 109.328 179.856 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 61.3 m-85 -95.13 152.26 18.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.125 -0.984 . . . . 0.61 109.564 -179.906 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 77.9 m-85 -141.32 -174.85 4.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.304 -0.872 . . . . 0.56 109.402 179.988 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.47 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 17.9 p -152.13 158.88 43.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.205 -0.934 . . . . 0.43 109.265 -179.849 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -149.11 132.83 16.89 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -0.911 . . . . 0.35 109.656 -179.76 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 15.8 tt0 -86.06 129.92 34.69 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.329 -0.857 . . . . 1.37 109.332 179.903 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 47.1 mt -123.88 116.88 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.142 -0.974 . . . . 0.48 109.594 -179.943 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -74.21 149.04 41.06 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.349 -0.844 . . . . 2.08 109.529 179.712 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 92.32 136.31 7.37 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.801 -1.32 . . . . 0.4 109.801 179.739 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 15.6 ttm180 -82.04 -52.08 7.39 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.256 -1.144 . . . . 2.64 109.584 179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.32 -46.44 86.18 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.935 . . . . 2.22 109.567 -179.906 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -60.85 -41.62 96.23 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.259 -0.9 . . . . 2.74 109.7 -179.747 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' B' ' 329' ' ' THR . 54.3 t80 -55.11 -55.09 34.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.413 -0.804 . . . . 0.43 109.911 -179.693 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -51.16 -37.65 47.63 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.3 -0.875 . . . . 1.69 110.022 -179.502 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -63.07 -48.32 79.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.134 -0.979 . . . . 0.43 110.263 -179.215 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.75 -48.91 79.68 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.122 -0.986 . . . . 0.27 109.5 -179.594 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -51.81 -43.46 63.11 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.401 -0.812 . . . . 2.45 109.817 179.951 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -60.24 -40.88 91.79 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.31 -0.869 . . . . 1.75 109.957 -179.577 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.816 HD22 HD22 ' C' ' 344' ' ' LEU . 23.8 mt -62.15 -43.8 98.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.221 -0.924 . . . . 0.31 109.44 -179.759 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -58.17 -49.93 75.29 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.311 -0.868 . . . . 1.22 109.648 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.39 -31.23 71.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.365 -0.835 . . . . 1.73 109.921 -179.727 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.48 -55.71 30.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.14 -0.975 . . . . 0.28 110.036 -179.558 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 68.9 mt -60.62 -39.16 87.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.287 -0.883 . . . . 0.31 109.61 -179.548 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.82 -37.98 80.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 1.91 109.654 179.944 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.726 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.78 -39.9 94.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.193 -0.942 . . . . 0.43 109.301 -179.71 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.618 ' HD3' HD12 ' C' ' 350' ' ' LEU . 0.7 OUTLIER -60.34 -48.15 82.98 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.282 -0.886 . . . . 1.57 108.659 179.487 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.57 -29.86 64.77 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.701 -0.625 . . . . 1.44 109.356 179.452 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.17 -32.34 73.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.321 -0.862 . . . . 0.64 109.548 -179.718 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' C' ' 350' ' ' LEU . 2.5 mt-30 -80.56 -45.62 17.08 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.238 -0.914 . . . . 1.21 109.364 179.723 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.12 -2.88 20.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.367 -0.833 . . . . 1.22 109.64 179.75 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -70.34 -60.49 4.73 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.655 -1.378 . . . . 1.5 109.655 -179.886 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -85.72 101.38 12.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -1.179 . . . . 4.18 109.505 -179.91 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -51.31 152.06 4.65 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.352 -0.843 . . . . 5.67 109.621 -179.941 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.55 139.53 82.06 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.292 1.994 . . . . 5.65 110.208 179.924 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 117.931 -1.483 . . . . 7.27 109.496 -179.998 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.215 0.531 . . . . 7.33 109.591 . . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 56.9 -92.45 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 7.21 109.16 -179.954 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.537 ' CB ' HD23 ' A' ' 323' ' ' LEU . 74.2 mttt 58.29 164.19 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.21 -0.931 . . . . 6.47 109.612 179.761 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 321' ' ' LYS . 6.5 Cg_endo -74.71 39.37 0.56 Allowed 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.889 2.393 . . . . 4.53 111.376 179.571 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.537 HD23 ' CB ' ' A' ' 321' ' ' LYS . 4.2 mm? -81.06 -2.07 46.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.663 -1.273 . . . . 4.35 109.548 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.31 -167.14 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 2.48 109.428 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.23 163.76 50.83 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.468 -1.453 . . . . 0.98 109.468 179.901 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 328' ' ' PHE . 37.5 mt-10 -58.64 139.3 56.17 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.278 -1.131 . . . . 1.7 109.415 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 17.9 m-85 -95.07 150.13 20.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.61 109.65 -179.905 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' C' ' 335' ' ' ARG . 58.6 m-85 -140.65 138.49 34.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 0.58 109.091 179.245 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 25.5 p -91.27 170.99 9.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.422 -0.799 . . . . 0.42 109.904 -179.536 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.2 tp -149.83 131.03 14.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.43 -0.794 . . . . 0.36 109.412 179.774 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.65 124.16 32.62 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.177 -0.952 . . . . 1.37 109.561 -179.842 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.488 HG21 ' HD2' ' A' ' 341' ' ' PHE . 25.4 mt -124.16 113.9 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.47 109.612 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 0.2 OUTLIER -73.57 148.17 43.21 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.265 -0.897 . . . . 2.1 109.621 179.709 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.02 134.53 7.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.928 -1.269 . . . . 0.42 109.928 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE1' ' C' ' 328' ' ' PHE . 0.8 OUTLIER -83.54 -51.5 7.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.309 -1.112 . . . . 2.68 109.354 179.81 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.46 85.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 2.22 109.221 179.823 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.75 ' NH1' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.28 86.81 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.236 -0.915 . . . . 2.77 109.181 179.796 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' C' ' 330' ' ' LEU . 27.1 t80 -53.95 -52.93 59.09 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.418 -0.801 . . . . 0.43 109.194 179.883 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -51.77 -35.39 43.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 1.66 109.802 -179.8 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.97 -49.42 74.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.219 -0.926 . . . . 0.44 109.971 -179.391 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.488 ' HD2' HG21 ' A' ' 332' ' ' ILE . 18.5 m-85 -60.7 -47.21 87.3 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.103 -0.998 . . . . 0.29 109.364 179.957 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.3 62.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.409 -0.807 . . . . 2.44 109.852 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.1 -48.61 81.0 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.184 -0.948 . . . . 1.74 109.831 -179.489 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' B' ' 344' ' ' LEU . 74.2 mt -61.37 -33.67 74.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.17 -0.956 . . . . 0.3 109.164 -179.888 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -59.94 -57.37 13.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 1.22 109.453 179.645 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -29.01 70.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.353 -0.842 . . . . 1.72 109.873 -179.55 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.96 -57.03 13.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.27 109.885 -179.546 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.786 HD13 ' NH1' ' C' ' 337' ' ' ARG . 15.8 mt -61.17 -41.16 96.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.282 -0.886 . . . . 0.29 109.595 -179.465 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.59 -37.61 79.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 1.91 109.813 -179.83 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.762 HD11 ' NE2' ' B' ' 354' ' ' GLN . 1.3 tt -65.19 -40.88 94.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.41 109.24 -179.752 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.508 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.76 -46.96 87.34 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.673 0.749 . . . . 1.56 109.217 179.719 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.31 -31.43 61.65 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.562 -0.711 . . . . 1.43 109.6 179.937 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.62 90.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.66 109.345 -179.936 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' B' ' 350' ' ' LEU . 21.6 mt-30 -81.7 -3.09 52.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 1.18 109.473 179.599 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.66 -60.82 2.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.286 -0.884 . . . . 1.23 109.545 -179.912 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.18 62.7 4.54 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.478 -1.449 . . . . 1.54 109.478 -179.872 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.72 139.15 31.59 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.226 -1.161 . . . . 4.18 109.486 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.54 116.86 6.38 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.316 -0.865 . . . . 5.71 109.561 -179.818 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.65 129.47 31.04 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.938 1.758 . . . . 5.61 110.32 179.995 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.033 -1.426 . . . . 7.24 109.564 179.919 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.47 -0.567 . . . . 7.34 109.47 . . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' B' ' 321' ' ' LYS . 2.4 mmtp 56.84 -92.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.218 -0.926 . . . . 7.17 109.185 -179.826 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.537 ' CB ' HD23 ' B' ' 323' ' ' LEU . 74.3 mttt 58.25 164.08 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 6.44 109.711 179.795 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' B' ' 321' ' ' LYS . 6.5 Cg_endo -74.65 39.28 0.55 Allowed 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.892 2.395 . . . . 4.54 111.407 179.573 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.537 HD23 ' CB ' ' B' ' 321' ' ' LYS . 4.2 mm? -80.93 -2.11 46.34 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.658 -1.276 . . . . 4.32 109.644 179.902 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -79.26 -167.08 1.07 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 2.47 109.484 179.942 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.24 163.7 50.9 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.467 -1.453 . . . . 0.95 109.467 179.878 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.407 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 37.4 mt-10 -58.72 139.29 56.36 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.202 -1.175 . . . . 1.61 109.445 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.51 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 17.8 m-85 -94.97 150.2 20.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.169 -0.957 . . . . 0.57 109.639 -179.863 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' D' ' 335' ' ' ARG . 59.1 m-85 -140.79 138.36 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.53 109.058 179.293 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 25.0 p -91.26 171.17 9.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.298 -0.876 . . . . 0.38 109.961 -179.511 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.92 130.98 14.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.416 -0.802 . . . . 0.36 109.339 179.882 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.6 124.17 32.59 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.33 -0.856 . . . . 1.36 109.609 -179.932 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.489 HG21 ' HD2' ' B' ' 341' ' ' PHE . 25.7 mt -124.2 114.07 39.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.194 -0.941 . . . . 0.49 109.584 179.877 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 0.2 OUTLIER -73.67 148.25 42.94 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 2.1 109.593 179.789 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.96 134.6 7.32 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.44 109.842 179.595 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE1' ' D' ' 328' ' ' PHE . 0.8 OUTLIER -83.63 -51.46 7.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.143 . . . . 2.72 109.41 179.704 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.1 -46.4 85.59 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 2.21 109.218 179.791 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.709 ' NH1' HD13 ' D' ' 348' ' ' LEU . 0.7 OUTLIER -61.61 -38.27 86.98 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.256 -0.903 . . . . 2.79 109.136 179.899 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.89 -52.98 58.76 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.427 -0.796 . . . . 0.45 109.197 179.824 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.75 -35.5 43.68 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.321 -0.862 . . . . 1.68 109.698 -179.763 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.63 74.25 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.207 -0.933 . . . . 0.43 109.97 -179.446 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.489 ' HD2' HG21 ' B' ' 332' ' ' ILE . 18.7 m-85 -60.59 -47.24 87.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.114 -0.991 . . . . 0.28 109.352 -179.955 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.01 -41.31 62.12 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.421 -0.8 . . . . 2.52 109.832 -179.956 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -48.37 82.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 1.75 109.904 -179.499 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.43 HD22 HD22 ' A' ' 344' ' ' LEU . 74.3 mt -61.48 -33.67 74.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.174 -0.954 . . . . 0.31 109.12 -179.93 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -59.99 -57.45 12.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.382 -0.824 . . . . 1.21 109.491 179.635 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -29.0 70.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.418 -0.801 . . . . 1.69 110.024 -179.664 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.92 -56.93 14.1 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.252 -0.905 . . . . 0.27 109.969 -179.611 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.702 HD13 ' NH1' ' D' ' 337' ' ' ARG . 15.5 mt -61.19 -41.13 96.27 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.276 -0.89 . . . . 0.3 109.622 -179.513 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.67 79.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.263 -0.898 . . . . 1.93 109.762 -179.824 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.719 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.3 tt -65.19 -40.95 94.93 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.337 -0.852 . . . . 0.4 109.277 -179.683 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -46.67 88.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.474 -0.767 . . . . 1.59 109.199 179.738 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.45 -31.43 61.93 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.523 -0.736 . . . . 1.43 109.637 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.59 90.78 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.65 109.329 179.954 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' A' ' 350' ' ' LEU . 21.6 mt-30 -81.76 -3.11 52.98 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.383 -0.823 . . . . 1.19 109.487 179.635 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.61 -60.68 2.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.166 -0.959 . . . . 1.22 109.669 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.19 62.63 4.55 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.477 -1.449 . . . . 1.53 109.477 -179.869 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.69 139.18 31.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.305 -1.115 . . . . 4.21 109.363 -179.8 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.64 116.85 6.46 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.298 -0.877 . . . . 5.68 109.587 -179.84 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.62 129.42 30.86 Favored 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 121.974 1.782 . . . . 5.57 110.317 -179.996 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 118.049 -1.417 . . . . 7.2 109.567 179.936 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' C' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.512 -0.551 . . . . 8.96 109.512 . . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 56.81 -92.45 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.927 . . . . 8.15 109.214 -179.873 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.539 ' CB ' HD23 ' C' ' 323' ' ' LEU . 74.1 mttt 58.39 164.02 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.182 -0.949 . . . . 7.15 109.61 179.66 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' C' ' 321' ' ' LYS . 6.6 Cg_endo -74.59 39.21 0.55 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 122.848 2.365 . . . . 4.35 111.487 179.525 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.539 HD23 ' CB ' ' C' ' 321' ' ' LYS . 4.2 mm? -80.86 -2.08 45.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.713 -1.242 . . . . 4.63 109.623 179.916 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -79.39 -167.08 1.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.267 -0.896 . . . . 2.85 109.379 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.25 163.77 50.86 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.418 -1.473 . . . . 1.12 109.418 179.943 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.405 ' HB2' ' CZ ' ' C' ' 328' ' ' PHE . 37.5 mt-10 -58.62 139.27 56.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.214 -1.168 . . . . 2.11 109.371 179.934 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.464 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 18.1 m-85 -95.05 150.15 20.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.64 109.708 -179.956 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 59.6 m-85 -140.62 138.59 34.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.912 . . . . 0.49 109.017 179.234 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.36 171.04 9.49 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.468 -0.77 . . . . 0.47 109.937 -179.5 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.42 HD13 ' CE1' ' A' ' 338' ' ' PHE . 16.3 tp -149.81 131.01 14.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.339 -0.851 . . . . 0.42 109.388 179.785 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -86.57 124.14 32.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.282 -0.886 . . . . 1.81 109.692 -179.994 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.5 HG21 ' HD2' ' C' ' 341' ' ' PHE . 25.5 mt -124.09 114.01 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.913 . . . . 0.42 109.685 179.88 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.529 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.2 OUTLIER -73.61 148.16 43.13 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 2.35 109.537 179.846 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 93.93 134.63 7.32 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.896 -1.282 . . . . 0.41 109.896 179.623 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 328' ' ' PHE . 0.8 OUTLIER -83.67 -51.41 7.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -1.115 . . . . 2.59 109.353 179.788 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -58.2 -46.41 85.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.267 -0.895 . . . . 2.54 109.181 179.849 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.786 ' NH1' HD13 ' A' ' 348' ' ' LEU . 0.6 OUTLIER -61.51 -38.21 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.244 -0.91 . . . . 3.39 109.255 179.762 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.08 -52.88 59.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.457 -0.777 . . . . 0.47 109.116 179.899 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.76 -35.5 43.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.384 -0.823 . . . . 1.66 109.731 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.75 -49.6 74.38 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.22 -0.925 . . . . 0.61 110.002 -179.45 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.5 ' HD2' HG21 ' C' ' 332' ' ' ILE . 18.6 m-85 -60.62 -47.18 87.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.33 109.331 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.04 -41.35 62.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.393 -0.817 . . . . 3.28 109.812 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.08 -48.56 81.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.149 -0.969 . . . . 1.78 109.87 -179.547 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.4 -33.69 74.11 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.216 -0.928 . . . . 0.38 109.109 -179.851 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.01 -57.51 12.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.409 -0.807 . . . . 1.2 109.371 179.712 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 -29.03 70.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.32 -0.863 . . . . 2.12 109.972 -179.668 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.85 -57.05 13.32 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.26 110.021 -179.592 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.75 HD13 ' NH1' ' A' ' 337' ' ' ARG . 15.6 mt -61.09 -41.23 96.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.331 -0.855 . . . . 0.4 109.623 -179.527 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.64 -37.56 79.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.257 -0.902 . . . . 2.09 109.796 -179.837 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.3 tt -65.3 -40.87 94.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.326 -0.859 . . . . 0.75 109.21 -179.696 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.6 OUTLIER -61.81 -46.86 87.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.429 -0.795 . . . . 2.19 109.145 179.761 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -31.42 61.86 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.552 -0.718 . . . . 1.34 109.586 179.923 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.63 90.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.72 109.31 -179.995 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.637 ' NE2' HD11 ' D' ' 350' ' ' LEU . 21.7 mt-30 -81.81 -3.11 53.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.236 -0.915 . . . . 1.8 109.42 179.705 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.63 -60.72 2.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.168 -0.958 . . . . 1.39 109.649 179.99 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.13 62.78 4.53 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.525 -1.43 . . . . 1.66 109.525 -179.974 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.82 139.2 31.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.269 -1.136 . . . . 4.45 109.383 -179.892 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -49.71 116.86 6.55 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.219 -0.926 . . . . 6.19 109.561 -179.796 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -59.64 129.36 30.55 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.026 1.817 . . . . 5.58 110.385 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.031 -1.427 . . . . 6.9 109.563 -179.985 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.47 -0.567 . . . . 7.36 109.47 . . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 321' ' ' LYS . 2.4 mmtp 56.87 -92.46 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 7.15 109.251 -179.889 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.535 ' CB ' HD23 ' D' ' 323' ' ' LEU . 74.3 mttt 58.4 164.01 0.08 OUTLIER Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.191 -0.943 . . . . 6.5 109.593 179.666 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' D' ' 321' ' ' LYS . 6.6 Cg_endo -74.63 39.26 0.55 Allowed 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 122.853 2.369 . . . . 4.5 111.507 179.466 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' D' ' 321' ' ' LYS . 4.2 mm? -80.84 -2.04 45.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.653 -1.279 . . . . 4.32 109.731 179.836 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -79.38 -167.1 1.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.105 -0.997 . . . . 2.46 109.393 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.18 163.76 50.75 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.46 -1.456 . . . . 0.97 109.46 179.872 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' D' ' 328' ' ' PHE . 37.4 mt-10 -58.65 139.22 56.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.179 -1.189 . . . . 1.67 109.398 179.948 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 17.9 m-85 -94.93 150.13 20.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.324 -0.86 . . . . 0.61 109.711 -179.941 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' B' ' 335' ' ' ARG . 58.6 m-85 -140.67 138.64 34.44 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.23 -0.919 . . . . 0.56 109.071 179.241 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 25.2 p -91.53 171.1 9.41 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.426 -0.796 . . . . 0.43 109.885 -179.468 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 16.3 tp -149.82 130.99 14.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.816 . . . . 0.35 109.418 179.893 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -86.64 124.2 32.66 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.322 -0.861 . . . . 1.37 109.549 -179.945 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.499 HG21 ' HD2' ' D' ' 341' ' ' PHE . 25.7 mt -124.18 113.77 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.265 -0.897 . . . . 0.48 109.706 179.833 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.2 OUTLIER -73.43 148.17 43.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 2.08 109.743 179.747 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 94.1 134.61 7.38 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.811 -1.316 . . . . 0.4 109.811 179.657 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.564 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.8 OUTLIER -83.62 -51.51 7.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.357 -1.084 . . . . 2.64 109.378 179.703 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -58.04 -46.47 85.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 2.22 109.298 179.772 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.702 ' NH1' HD13 ' B' ' 348' ' ' LEU . 0.6 OUTLIER -61.49 -38.19 86.41 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.313 -0.867 . . . . 2.74 109.226 179.753 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.03 -53.01 58.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.46 -0.775 . . . . 0.43 109.094 179.924 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -51.63 -35.55 42.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.224 -0.923 . . . . 1.69 109.759 -179.771 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.6 ttp -62.73 -49.57 74.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.179 -0.951 . . . . 0.43 110.083 -179.452 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.499 ' HD2' HG21 ' D' ' 332' ' ' ILE . 18.6 m-85 -60.65 -47.22 87.21 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.135 -0.978 . . . . 0.27 109.405 179.893 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -51.93 -41.43 62.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.419 -0.801 . . . . 2.45 109.87 179.94 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.05 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.121 -0.987 . . . . 1.75 109.906 -179.565 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.48 -33.69 74.2 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.128 -0.982 . . . . 0.31 109.066 -179.884 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.07 -57.41 12.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.34 -0.85 . . . . 1.22 109.408 179.692 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.93 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.425 -0.797 . . . . 1.73 109.987 -179.72 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.98 -57.05 13.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.28 109.945 -179.576 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.709 HD13 ' NH1' ' B' ' 337' ' ' ARG . 15.6 mt -61.18 -41.11 96.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.27 -0.894 . . . . 0.31 109.587 -179.53 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -59.65 -37.58 79.11 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.305 -0.872 . . . . 1.91 109.8 -179.833 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.71 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -65.29 -40.74 94.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.389 -0.819 . . . . 0.43 109.275 -179.689 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.503 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.6 OUTLIER -61.85 -46.86 87.61 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.523 -0.736 . . . . 1.57 109.183 179.682 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -31.36 61.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.557 -0.714 . . . . 1.44 109.582 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.63 90.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 0.64 109.28 179.968 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.582 ' NE2' HD11 ' C' ' 350' ' ' LEU . 21.7 mt-30 -81.72 -3.21 53.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.358 -0.838 . . . . 1.21 109.446 179.734 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.65 -60.79 2.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 1.22 109.555 -179.885 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -84.0 62.64 4.56 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.528 -1.429 . . . . 1.5 109.528 -179.924 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.71 139.12 31.62 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -1.176 . . . . 4.18 109.431 -179.882 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.6 116.79 6.36 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 5.67 109.559 -179.813 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -59.6 129.45 31.04 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.978 1.786 . . . . 5.65 110.379 179.959 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 CA-C-O 117.989 -1.45 . . . . 7.27 109.545 179.962 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.434 -0.58 . . . . 7.33 109.434 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.71 36.7 10.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.193 -0.942 . . . . 7.21 109.399 -179.801 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.497 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 47.9 mttt 58.7 61.99 4.67 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.904 . . . . 6.47 109.811 179.892 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 1.7 Cg_endo -63.8 164.74 20.55 Favored 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.22 1.946 . . . . 4.53 110.014 179.764 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 323' ' ' LEU . 82.1 mt -80.31 103.84 10.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 4.35 109.246 179.663 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.46 116.29 21.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.394 -0.816 . . . . 2.48 109.882 -179.671 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.591 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.95 172.09 37.56 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.89 -1.684 . . . . 0.98 108.89 179.509 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -62.05 121.88 14.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.995 -1.297 . . . . 1.7 109.802 179.964 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 44.4 m-85 -97.74 155.04 17.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.201 -0.937 . . . . 0.61 109.734 179.762 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.58 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 71.9 m-85 -140.65 -171.81 3.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.302 -0.873 . . . . 0.58 109.366 179.798 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.479 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 61.9 p -152.6 160.47 43.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.117 -0.989 . . . . 0.42 109.432 -179.778 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' C' ' 345' ' ' ASN . 14.3 tp -149.14 134.28 18.22 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.316 -0.865 . . . . 0.36 109.501 -179.69 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -85.88 128.33 34.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.37 109.31 179.92 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 341' ' ' PHE . 52.6 mt -123.89 111.75 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.921 . . . . 0.47 109.542 -179.937 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.32 153.79 40.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.228 -0.92 . . . . 2.1 109.429 179.773 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.71 126.14 2.62 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.586 -1.406 . . . . 0.42 109.586 179.853 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.4 OUTLIER -72.54 -52.51 15.31 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -1.06 . . . . 2.68 109.777 -179.924 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.74 -47.76 81.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 2.22 109.738 -179.669 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.63 -40.5 92.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.243 -0.911 . . . . 2.77 109.602 -179.742 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' C' ' 329' ' ' THR . 37.6 t80 -54.92 -55.83 26.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.43 109.795 -179.686 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -51.6 -37.17 48.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.332 -0.855 . . . . 1.66 110.119 -179.56 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.9 ttp -62.68 -46.21 89.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.095 -1.003 . . . . 0.44 110.029 -179.374 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.404 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.1 m-85 -61.21 -52.05 66.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.221 -0.924 . . . . 0.29 109.437 -179.721 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -51.16 -36.93 43.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 2.44 109.845 -179.888 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.84 -50.53 73.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.173 -0.954 . . . . 1.74 109.892 -179.616 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -60.87 -33.59 73.31 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.3 109.035 179.881 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.521 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.2 t-20 -59.0 -55.18 38.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 1.22 109.586 179.6 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.16 -27.99 69.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.433 -0.792 . . . . 1.72 110.0 -179.727 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.03 -56.1 25.04 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.27 110.235 -179.448 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' A' ' 351' ' ' LYS . 45.0 mt -60.51 -41.96 95.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.262 -0.899 . . . . 0.29 109.73 -179.428 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.11 -36.86 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 1.91 109.48 179.894 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.779 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.63 -39.69 91.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.41 109.499 -179.905 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 0.7 OUTLIER -61.45 -45.83 92.63 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.507 -0.745 . . . . 1.56 109.045 179.942 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -59.44 -34.01 71.97 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.496 -0.752 . . . . 1.43 109.654 179.65 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.81 66.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.209 -0.932 . . . . 0.66 109.478 -179.779 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.627 ' OE1' HD21 ' B' ' 350' ' ' LEU . 1.3 mt-30 -81.88 -57.19 3.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 1.18 109.424 179.816 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -5.03 30.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.269 -0.895 . . . . 1.23 109.797 179.94 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 0.81 88.51 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.923 -1.271 . . . . 1.54 109.923 -179.817 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 97.24 10.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.145 -1.209 . . . . 4.18 109.53 179.945 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.463 ' HB2' ' HD2' ' A' ' 359' ' ' PRO . 15.7 pt-20 -51.97 158.36 1.77 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.395 -0.816 . . . . 5.71 109.688 179.94 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 358' ' ' GLU . 3.0 Cg_exo -61.06 155.3 51.33 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.28 1.986 . . . . 5.61 110.25 179.723 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.015 -1.436 . . . . 7.24 109.541 179.954 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.481 -0.563 . . . . 7.34 109.481 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 5.6 tttt 63.52 36.75 10.95 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 7.17 109.433 -179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.501 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 48.0 mttt 58.82 61.96 4.57 Favored Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.258 -0.901 . . . . 6.44 109.729 179.755 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 1.8 Cg_endo -63.91 164.89 20.35 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.09 1.86 . . . . 4.54 110.056 179.821 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' B' ' 323' ' ' LEU . 81.9 mt -80.49 103.83 10.61 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.149 -0.969 . . . . 4.32 109.16 179.743 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.38 116.21 21.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.367 -0.833 . . . . 2.47 109.902 -179.726 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.579 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.72 172.25 36.38 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.898 -1.681 . . . . 0.95 108.898 179.386 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.45 122.0 14.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.877 -1.367 . . . . 1.61 109.742 -179.986 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 44.7 m-85 -97.78 155.08 17.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.145 -0.972 . . . . 0.57 109.683 179.821 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -140.77 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.376 -0.828 . . . . 0.53 109.351 179.924 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 61.5 p -152.69 160.48 43.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 0.38 109.345 -179.852 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' D' ' 345' ' ' ASN . 14.4 tp -149.07 134.28 18.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.891 . . . . 0.36 109.481 -179.665 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -85.78 128.25 34.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.223 -0.923 . . . . 1.36 109.385 179.872 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' B' ' 341' ' ' PHE . 52.3 mt -123.87 111.64 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.196 -0.94 . . . . 0.49 109.563 -179.906 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 154.05 40.43 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -0.893 . . . . 2.1 109.453 179.766 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.47 126.25 2.57 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.676 -1.369 . . . . 0.44 109.676 179.899 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.535 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.4 OUTLIER -72.73 -52.4 15.27 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.346 -1.091 . . . . 2.72 109.753 -179.849 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.85 -47.76 81.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 2.21 109.755 -179.696 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -60.5 -40.49 91.58 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.288 -0.883 . . . . 2.79 109.686 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' D' ' 329' ' ' THR . 37.7 t80 -54.97 -55.73 27.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.443 -0.785 . . . . 0.45 109.821 -179.695 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -51.69 -37.09 49.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.251 -0.906 . . . . 1.68 110.076 -179.569 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.87 -45.99 89.95 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.115 -0.991 . . . . 0.43 110.123 -179.37 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.41 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.8 m-85 -61.35 -52.0 66.47 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.117 -0.989 . . . . 0.28 109.43 -179.81 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -51.09 -37.08 43.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.354 -0.841 . . . . 2.52 109.84 -179.966 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.76 -50.53 73.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.204 -0.935 . . . . 1.75 109.869 -179.562 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.97 HD22 HD22 ' A' ' 344' ' ' LEU . 73.3 mt -60.83 -33.64 73.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.16 -0.962 . . . . 0.31 109.044 179.824 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.2 t-20 -58.86 -55.4 35.63 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.511 -0.743 . . . . 1.21 109.566 179.619 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.07 -27.93 69.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.419 -0.801 . . . . 1.69 110.092 -179.702 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.725 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.05 -56.05 25.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.185 -0.947 . . . . 0.27 110.273 -179.513 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.441 HD23 ' NZ ' ' B' ' 351' ' ' LYS . 44.6 mt -60.5 -42.11 95.7 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.945 . . . . 0.3 109.65 -179.436 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.04 -36.8 75.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.168 -0.957 . . . . 1.93 109.518 179.927 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.78 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.72 -39.62 91.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.335 -0.853 . . . . 0.4 109.52 -179.959 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.441 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 0.7 OUTLIER -61.58 -45.74 92.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.415 -0.803 . . . . 1.59 108.998 179.996 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -59.58 -33.91 72.04 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.55 -0.719 . . . . 1.43 109.629 179.626 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.69 -25.76 66.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.221 -0.925 . . . . 0.65 109.506 -179.83 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.636 ' NE2' HD11 ' A' ' 350' ' ' LEU . 1.4 mt-30 -81.78 -57.21 3.54 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.233 -0.917 . . . . 1.19 109.466 179.818 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.79 -4.89 30.39 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.346 -0.847 . . . . 1.22 109.742 -179.992 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.33 0.74 88.67 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.864 -1.295 . . . . 1.53 109.864 -179.822 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.92 97.17 10.53 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.188 -1.184 . . . . 4.21 109.562 179.989 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.465 ' HB2' ' HD2' ' B' ' 359' ' ' PRO . 15.7 pt-20 -51.98 158.47 1.73 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.322 -0.861 . . . . 5.68 109.687 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 358' ' ' GLU . 3.1 Cg_exo -61.27 155.36 52.07 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.253 1.969 . . . . 5.57 110.133 179.839 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 118.004 -1.442 . . . . 7.2 109.566 179.955 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.527 -0.545 . . . . 8.96 109.527 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.65 36.72 10.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.924 . . . . 8.15 109.425 -179.836 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 48.0 mttt 58.83 61.92 4.59 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.182 -0.949 . . . . 7.15 109.749 179.816 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 1.7 Cg_endo -63.76 164.78 20.31 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.125 1.883 . . . . 4.35 110.058 179.748 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 323' ' ' LEU . 82.2 mt -80.33 103.75 10.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.139 -0.975 . . . . 4.63 109.236 179.648 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.39 116.19 21.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.38 -0.825 . . . . 2.85 109.983 -179.733 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.586 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -68.77 172.36 36.36 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 108.99 -1.644 . . . . 1.12 108.99 179.465 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.48 122.04 14.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.939 -1.33 . . . . 2.11 109.688 -179.894 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 44.4 m-85 -97.8 154.99 17.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.943 . . . . 0.64 109.685 179.834 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.6 m-85 -140.68 -171.81 3.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.333 -0.854 . . . . 0.49 109.395 179.833 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.507 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 60.7 p -152.61 160.44 43.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.98 . . . . 0.47 109.414 -179.773 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 345' ' ' ASN . 14.3 tp -149.05 134.27 18.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.42 109.478 -179.64 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -85.94 128.33 34.82 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.883 . . . . 1.81 109.318 179.886 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.403 HD13 ' HB2' ' C' ' 341' ' ' PHE . 52.6 mt -123.83 111.85 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.237 -0.914 . . . . 0.42 109.617 -179.963 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.38 153.88 40.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.249 -0.907 . . . . 2.35 109.271 179.84 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.67 126.35 2.65 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.67 -1.372 . . . . 0.41 109.67 179.849 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.4 OUTLIER -72.87 -52.46 14.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.224 -1.163 . . . . 2.59 109.746 -179.896 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.9 -47.51 82.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 2.54 109.756 -179.688 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 5.9 ttm180 -60.6 -40.67 92.64 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.248 -0.907 . . . . 3.39 109.632 -179.861 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 329' ' ' THR . 37.5 t80 -54.84 -55.83 26.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.278 -0.888 . . . . 0.47 109.819 -179.697 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -51.76 -37.03 49.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.383 -0.823 . . . . 1.66 110.094 -179.519 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.17 89.3 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.111 -0.993 . . . . 0.61 110.017 -179.394 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.0 m-85 -61.2 -52.12 66.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.208 -0.933 . . . . 0.33 109.445 -179.796 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -51.11 -37.04 43.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 3.28 109.834 -179.927 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.77 -50.54 73.42 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.121 -0.987 . . . . 1.78 109.81 -179.506 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' D' ' 344' ' ' LEU . 73.1 mt -60.83 -33.64 73.35 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.155 -0.966 . . . . 0.38 108.991 179.926 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.499 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.3 t-20 -58.92 -55.28 37.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 1.2 109.504 179.682 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.12 -28.0 69.77 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.353 -0.842 . . . . 2.12 110.039 -179.658 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.09 -56.03 25.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.129 -0.982 . . . . 0.26 110.213 -179.452 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.454 HD23 ' NZ ' ' C' ' 351' ' ' LYS . 44.6 mt -60.65 -42.01 96.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.106 -0.996 . . . . 0.4 109.644 -179.365 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.03 -36.86 75.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 2.09 109.48 179.859 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.77 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -65.69 -39.66 91.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.365 -0.834 . . . . 0.75 109.43 -179.84 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.522 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 0.7 OUTLIER -61.59 -45.68 93.08 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.346 -0.846 . . . . 2.19 109.083 179.986 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.532 -0.73 . . . . 1.34 109.638 179.581 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.85 66.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.141 -0.974 . . . . 0.72 109.4 -179.775 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.433 ' OE1' HD21 ' D' ' 350' ' ' LEU . 1.4 mt-30 -81.78 -57.22 3.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 1.8 109.435 179.819 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.75 -4.91 30.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 1.39 109.783 -179.946 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.37 0.83 88.64 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.889 -1.285 . . . . 1.66 109.889 -179.873 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.88 97.07 10.46 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -1.204 . . . . 4.45 109.504 -179.977 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.466 ' HB2' ' HD2' ' C' ' 359' ' ' PRO . 15.7 pt-20 -52.01 158.39 1.78 Allowed Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.309 -0.87 . . . . 6.19 109.645 -179.988 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' C' ' 358' ' ' GLU . 3.0 Cg_exo -61.17 155.3 51.9 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.16 1.907 . . . . 5.58 110.18 179.814 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.011 -1.438 . . . . 6.9 109.554 179.956 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.562 -0.532 . . . . 7.36 109.562 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 5.5 tttt 63.49 36.87 10.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.223 -0.923 . . . . 7.15 109.407 -179.843 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 47.9 mttt 58.73 61.97 4.66 Favored Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 6.5 109.788 179.802 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 1.8 Cg_endo -63.88 164.74 20.77 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.199 1.933 . . . . 4.5 110.042 179.789 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' D' ' 323' ' ' LEU . 81.9 mt -80.24 103.83 10.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.111 -0.993 . . . . 4.32 109.183 179.719 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.54 116.36 21.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.371 -0.83 . . . . 2.46 109.84 -179.714 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.58 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.94 172.23 37.22 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 108.908 -1.677 . . . . 0.97 108.908 179.474 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -62.35 121.98 14.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.073 -1.251 . . . . 1.67 109.682 -179.881 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 44.5 m-85 -97.77 155.14 17.17 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.001 . . . . 0.61 109.724 179.791 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.0 m-85 -140.74 -171.77 3.31 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.381 -0.824 . . . . 0.56 109.381 179.903 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.489 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 62.8 p -152.69 160.51 43.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.159 -0.963 . . . . 0.43 109.361 -179.821 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 345' ' ' ASN . 14.4 tp -149.16 134.23 18.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.891 . . . . 0.35 109.491 -179.672 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 13.9 tt0 -85.86 128.19 34.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 1.37 109.317 179.936 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 52.7 mt -123.81 111.64 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.213 -0.93 . . . . 0.48 109.625 -179.934 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.14 153.98 40.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 2.08 109.428 179.783 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 88.54 126.26 2.59 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.638 -1.385 . . . . 0.4 109.638 179.846 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.532 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.4 OUTLIER -72.67 -52.43 15.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.356 -1.085 . . . . 2.64 109.792 -179.927 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.84 -47.82 81.57 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.196 -0.94 . . . . 2.22 109.69 -179.675 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -60.45 -40.65 91.94 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.349 -0.844 . . . . 2.74 109.613 -179.781 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 38.0 t80 -54.8 -55.81 26.13 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.37 -0.831 . . . . 0.43 109.875 -179.722 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.74 -37.1 49.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.25 -0.906 . . . . 1.69 110.074 -179.554 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.0 ttp -62.76 -46.12 89.53 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.078 -1.013 . . . . 0.43 110.101 -179.399 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -61.24 -52.05 66.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.27 109.411 -179.807 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -51.22 -36.97 44.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.344 -0.848 . . . . 2.45 109.782 -179.839 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -59.74 -50.52 73.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 1.75 109.866 -179.603 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.962 HD22 HD22 ' C' ' 344' ' ' LEU . 73.0 mt -60.92 -33.59 73.38 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.209 -0.932 . . . . 0.31 108.963 179.902 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.447 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.3 t-20 -58.97 -55.26 37.5 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.365 -0.834 . . . . 1.22 109.544 179.696 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -63.24 -27.85 69.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 1.73 109.995 -179.646 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.729 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.24 -55.96 26.04 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.227 -0.921 . . . . 0.28 110.261 -179.478 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.449 HD23 ' NZ ' ' D' ' 351' ' ' LYS . 44.7 mt -60.5 -42.08 95.6 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -0.891 . . . . 0.31 109.701 -179.531 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -59.0 -36.81 75.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.254 -0.904 . . . . 1.91 109.553 179.848 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.767 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -65.71 -39.67 91.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.289 -0.882 . . . . 0.43 109.501 -179.883 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.45 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 0.7 OUTLIER -61.58 -45.61 93.37 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.361 -0.837 . . . . 1.57 109.113 179.958 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -59.54 -34.01 72.11 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.459 -0.776 . . . . 1.44 109.596 179.58 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -25.82 66.75 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.392 -0.818 . . . . 0.64 109.405 -179.707 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.76 ' OE1' HD21 ' C' ' 350' ' ' LEU . 1.4 mt-30 -81.73 -57.31 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.21 109.456 179.778 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.63 -4.99 30.32 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.257 -0.902 . . . . 1.22 109.748 -179.974 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -82.27 0.81 88.52 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.886 -1.286 . . . . 1.5 109.886 -179.796 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.01 97.17 10.57 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.049 -1.265 . . . . 4.18 109.526 -179.994 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.462 ' HB2' ' HD2' ' D' ' 359' ' ' PRO . 15.7 pt-20 -51.98 158.46 1.73 Allowed Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.279 -0.888 . . . . 5.67 109.628 -179.983 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' D' ' 358' ' ' GLU . 3.0 Cg_exo -61.3 155.4 52.03 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.162 1.908 . . . . 5.65 110.236 179.815 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 CA-C-O 117.98 -1.455 . . . . 7.27 109.522 179.987 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.457 -0.571 . . . . 7.33 109.457 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 55.08 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.163 -0.961 . . . . 7.21 109.312 179.832 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.29 94.84 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.287 -0.883 . . . . 6.47 108.894 -179.67 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.35 -9.84 19.18 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 121.919 1.746 . . . . 4.53 110.464 -179.389 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 323' ' ' LEU . 82.7 mt -84.34 90.87 7.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.156 -0.965 . . . . 4.35 109.431 179.641 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.45 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 10.9 m-20 -84.43 -137.84 0.06 Allowed 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.348 -0.845 . . . . 2.48 109.015 179.667 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -68.51 170.83 38.35 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.329 -1.508 . . . . 0.98 109.329 179.848 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.6 129.87 43.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -1.191 . . . . 1.7 109.427 -179.817 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.45 ' OH ' ' HB2' ' A' ' 324' ' ' ASP . 16.6 m-85 -94.19 148.14 22.48 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.237 -0.914 . . . . 0.61 109.582 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 70.9 m-85 -139.95 136.9 34.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.359 -0.838 . . . . 0.58 109.14 179.296 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.41 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 21.4 p -93.2 169.36 10.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.371 -0.831 . . . . 0.42 109.39 179.943 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' C' ' 342' ' ' ARG . 30.9 tp -149.6 132.89 16.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.14 -0.975 . . . . 0.36 109.925 -179.871 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -86.32 121.96 29.63 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.462 -0.773 . . . . 1.37 109.026 179.401 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.9 109.66 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.47 109.833 -179.68 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.528 ' NH1' ' HB3' ' C' ' 324' ' ' ASP . 1.9 ttt180 -74.03 146.13 43.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.235 -0.916 . . . . 2.1 109.524 179.75 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.09 133.13 8.02 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.538 -1.425 . . . . 0.42 109.538 179.806 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 21.9 ttp180 -79.6 -55.55 4.95 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.235 -1.156 . . . . 2.68 109.561 -179.923 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.69 -44.45 90.27 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.326 -0.859 . . . . 2.22 109.453 179.953 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.19 -43.64 95.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.403 -0.811 . . . . 2.77 109.573 -179.949 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CE1' ' O ' ' C' ' 329' ' ' THR . 31.0 t80 -55.42 -55.49 31.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.428 -0.795 . . . . 0.43 109.489 -179.864 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -51.69 -37.8 52.32 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.402 -0.811 . . . . 1.66 110.045 -179.645 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.29 -46.01 88.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.171 -0.956 . . . . 0.44 109.935 -179.442 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.36 -55.54 30.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.29 109.189 -179.942 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.503 ' HG3' HD11 ' C' ' 330' ' ' LEU . 0.1 OUTLIER -50.62 -36.47 35.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.411 -0.806 . . . . 2.44 109.492 179.815 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.4 ' HG3' ' NZ ' ' B' ' 351' ' ' LYS . 1.5 tt0 -60.56 -46.46 90.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.317 -0.865 . . . . 1.74 109.777 -179.761 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' B' ' 344' ' ' LEU . 21.7 mt -61.51 -41.15 96.87 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.267 -0.896 . . . . 0.3 109.422 -179.938 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.44 -47.29 84.46 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.338 -0.851 . . . . 1.22 109.634 179.754 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.03 -37.21 86.26 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.376 -0.827 . . . . 1.72 109.979 -179.609 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.91 -49.46 77.61 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.237 -0.914 . . . . 0.27 110.01 -179.545 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.42 HD13 ' NE ' ' C' ' 337' ' ' ARG . 72.6 mt -61.7 -44.96 95.93 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.29 109.789 -179.649 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.44 -35.1 73.38 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.272 -0.893 . . . . 1.91 109.573 -179.991 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.6 tt -65.1 -48.14 74.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.428 -0.795 . . . . 0.41 109.39 -179.802 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.415 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 31.7 ttmt -61.18 -35.55 77.47 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.34 -0.85 . . . . 1.56 109.158 179.89 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -57.02 -39.3 74.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.495 -0.753 . . . . 1.43 109.387 179.846 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.24 76.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.66 109.327 -179.891 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -81.65 -1.58 47.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 1.18 109.571 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.42 67.95 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.104 -0.997 . . . . 1.23 109.632 -179.777 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 42.68 3.17 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.655 -1.378 . . . . 1.54 109.655 -179.832 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.48 -79.92 0.27 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -1.205 . . . . 4.18 109.819 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.2 154.6 1.37 Allowed Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.229 -0.92 . . . . 5.71 109.918 -179.69 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.22 -81.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.259 1.973 . . . . 5.61 110.179 179.964 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 117.939 -1.478 . . . . 7.24 109.58 -179.922 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.456 -0.572 . . . . 7.34 109.456 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 27.6 mttt 54.97 93.21 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 7.17 109.379 -179.988 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.49 94.8 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.88 . . . . 6.44 108.78 -179.763 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.22 -9.94 19.23 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 121.968 1.778 . . . . 4.54 110.521 -179.441 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 323' ' ' LEU . 82.5 mt -84.31 90.78 7.62 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.09 -1.006 . . . . 4.32 109.456 179.693 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.516 ' HB3' ' CZ ' ' D' ' 333' ' ' ARG . 11.0 m-20 -84.33 -137.98 0.06 Allowed 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.39 -0.819 . . . . 2.47 108.937 179.704 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -68.3 170.75 37.72 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.338 -1.505 . . . . 0.95 109.338 179.832 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.58 129.99 44.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -1.155 . . . . 1.61 109.441 -179.903 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.451 ' OH ' ' HB2' ' B' ' 324' ' ' ASP . 16.8 m-85 -94.24 148.1 22.53 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.57 109.557 179.991 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.5 m-85 -139.9 136.94 34.42 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.161 -0.962 . . . . 0.53 109.192 179.224 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.425 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 21.0 p -93.21 169.38 10.44 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.329 -0.857 . . . . 0.38 109.427 179.952 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' D' ' 342' ' ' ARG . 30.9 tp -149.69 132.84 16.33 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.36 109.9 -179.851 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.23 121.85 29.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.39 -0.819 . . . . 1.36 109.022 179.456 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.2 mt -123.9 109.7 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.091 -1.005 . . . . 0.49 109.905 -179.733 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.501 ' NH1' ' HB3' ' D' ' 324' ' ' ASP . 1.9 ttt180 -74.04 146.07 44.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 2.1 109.455 179.903 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.07 133.12 8.01 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.593 -1.403 . . . . 0.44 109.593 179.856 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.52 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 21.8 ttp180 -79.56 -55.66 4.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.178 -1.189 . . . . 2.72 109.583 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.54 -44.38 89.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.281 -0.887 . . . . 2.21 109.53 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.3 -43.77 95.99 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.428 -0.795 . . . . 2.79 109.496 -179.887 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' O ' ' D' ' 329' ' ' THR . 31.4 t80 -55.26 -55.6 29.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.389 -0.819 . . . . 0.45 109.531 -179.9 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -51.65 -37.99 52.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.344 -0.847 . . . . 1.68 109.915 -179.661 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.13 -46.11 88.81 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.275 -0.891 . . . . 0.43 110.08 -179.529 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.17 -55.69 29.33 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.219 -0.926 . . . . 0.28 109.182 179.936 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.515 ' HG3' HD11 ' D' ' 330' ' ' LEU . 0.1 OUTLIER -50.52 -36.46 34.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 2.52 109.646 179.816 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.6 -46.43 90.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.21 -0.931 . . . . 1.75 109.677 -179.666 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.566 HD22 HD22 ' A' ' 344' ' ' LEU . 21.6 mt -61.55 -41.16 96.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.209 -0.932 . . . . 0.31 109.312 -179.858 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.48 -47.27 84.61 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.295 -0.878 . . . . 1.21 109.637 179.869 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.05 -37.14 85.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.275 -0.89 . . . . 1.69 110.003 -179.655 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.817 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.95 -49.41 77.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.178 -0.951 . . . . 0.27 110.082 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.405 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 73.1 mt -61.81 -44.93 95.88 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 0.3 109.753 -179.697 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.48 -34.99 73.26 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.305 -0.872 . . . . 1.93 109.628 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.648 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.6 tt -65.09 -48.04 75.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.347 -0.846 . . . . 0.4 109.414 -179.855 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.4 ' NZ ' ' HG3' ' A' ' 343' ' ' GLU . 31.7 ttmt -61.3 -35.61 77.82 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.347 -0.846 . . . . 1.59 109.043 179.865 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.29 74.45 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.459 -0.776 . . . . 1.43 109.521 179.861 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.46 -34.25 76.8 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.298 -0.876 . . . . 0.65 109.442 179.929 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.554 ' NE2' HD11 ' A' ' 350' ' ' LEU . 12.1 mt-30 -81.68 -1.56 47.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.402 -0.811 . . . . 1.19 109.569 179.868 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.34 68.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.114 -0.991 . . . . 1.22 109.643 -179.781 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.45 42.52 3.16 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.721 -1.352 . . . . 1.53 109.721 -179.828 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.4 -79.94 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.209 -1.171 . . . . 4.21 109.786 -179.854 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.18 154.52 1.38 Allowed Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.362 -0.836 . . . . 5.68 109.857 -179.656 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.15 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.35 2.033 . . . . 5.57 110.238 179.91 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 118.02 -1.433 . . . . 7.2 109.551 179.987 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.363 -0.606 . . . . 8.96 109.363 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 54.93 93.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.146 -0.971 . . . . 8.15 109.406 -179.994 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.3 94.86 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.277 -0.889 . . . . 7.15 108.862 -179.636 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.31 -9.86 19.19 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.916 1.744 . . . . 4.35 110.451 -179.389 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' C' ' 323' ' ' LEU . 82.9 mt -84.39 90.88 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.119 -0.988 . . . . 4.63 109.473 179.644 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.528 ' HB3' ' NH1' ' A' ' 333' ' ' ARG . 11.1 m-20 -84.3 -137.93 0.06 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 2.85 109.007 179.646 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.37 170.86 37.77 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.323 -1.511 . . . . 1.12 109.323 179.826 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.64 129.94 44.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.148 -1.207 . . . . 2.11 109.444 -179.883 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.443 ' OH ' ' HB2' ' C' ' 324' ' ' ASP . 16.7 m-85 -94.23 148.16 22.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.252 -0.905 . . . . 0.64 109.571 -179.981 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.7 m-85 -140.0 136.71 34.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.139 -0.976 . . . . 0.49 109.227 179.236 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.429 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 21.1 p -92.97 169.25 10.58 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.383 -0.823 . . . . 0.47 109.404 -179.988 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.503 HD11 ' HG3' ' A' ' 342' ' ' ARG . 30.7 tp -149.57 132.97 16.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.158 -0.964 . . . . 0.42 109.906 -179.918 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -86.34 121.85 29.49 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.334 -0.854 . . . . 1.81 108.965 179.563 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mt -123.91 109.77 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.42 109.818 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 324' ' ' ASP . 1.9 ttt180 -74.02 146.1 44.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.28 -0.888 . . . . 2.35 109.49 179.825 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.02 133.05 7.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.554 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 22.0 ttp180 -79.67 -55.47 4.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -1.144 . . . . 2.59 109.531 -179.916 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -58.62 -44.35 89.96 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -0.882 . . . . 2.54 109.443 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.42 ' NE ' HD13 ' A' ' 348' ' ' LEU . 2.3 ttm180 -60.47 -43.61 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 3.39 109.56 -179.867 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 329' ' ' THR . 31.1 t80 -55.32 -55.52 30.52 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.314 -0.866 . . . . 0.47 109.486 -179.893 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -51.64 -37.93 52.53 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.281 -0.887 . . . . 1.66 109.924 -179.708 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.1 ttp -63.26 -46.01 88.85 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.144 -0.972 . . . . 0.61 110.053 -179.477 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.23 -55.77 28.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.33 109.143 179.985 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.458 HH11 ' CG ' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.48 -36.42 33.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.424 -0.798 . . . . 3.28 109.642 179.791 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.69 -46.37 90.63 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.117 -0.99 . . . . 1.78 109.759 -179.736 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' D' ' 344' ' ' LEU . 21.4 mt -61.33 -41.42 97.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.328 -0.857 . . . . 0.38 109.368 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -58.4 -47.23 84.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.35 -0.844 . . . . 1.2 109.658 179.93 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.97 -37.19 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.329 -0.857 . . . . 2.12 110.047 -179.755 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.0 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.305 -0.872 . . . . 0.26 110.051 -179.556 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.71 -45.02 95.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.4 109.745 -179.697 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.49 -35.05 73.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 2.09 109.605 -179.952 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.6 tt -64.97 -48.11 75.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.242 -0.911 . . . . 0.75 109.512 -179.952 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.451 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 31.7 ttmt -61.27 -35.57 77.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.383 -0.823 . . . . 2.19 109.069 179.885 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.03 -39.26 74.45 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.496 -0.753 . . . . 1.34 109.499 179.819 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.24 76.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.72 109.471 179.906 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.425 ' NE2' HD11 ' D' ' 350' ' ' LEU . 12.1 mt-30 -81.78 -1.56 47.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.254 -0.904 . . . . 1.8 109.486 179.993 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.28 68.33 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.252 -0.905 . . . . 1.39 109.76 -179.856 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 42.6 3.16 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.698 -1.361 . . . . 1.66 109.698 -179.906 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.51 -79.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.243 -1.151 . . . . 4.45 109.826 -179.943 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.08 154.53 1.31 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 6.19 109.864 -179.696 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.24 -80.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.268 1.979 . . . . 5.58 110.255 179.899 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 117.974 -1.459 . . . . 6.9 109.596 -179.986 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.4 -0.593 . . . . 7.36 109.4 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 27.8 mttt 55.07 93.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.221 -0.924 . . . . 7.15 109.368 179.956 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.38 94.86 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.347 -0.845 . . . . 6.5 108.81 -179.678 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -63.28 -9.92 19.32 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 121.94 1.76 . . . . 4.5 110.485 -179.405 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' D' ' 323' ' ' LEU . 82.7 mt -84.3 90.84 7.62 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.961 . . . . 4.32 109.51 179.637 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.501 ' HB3' ' NH1' ' B' ' 333' ' ' ARG . 11.0 m-20 -84.3 -137.98 0.06 Allowed 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.355 -0.841 . . . . 2.46 109.022 179.663 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -68.46 170.73 38.32 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.326 -1.51 . . . . 0.97 109.326 179.838 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.47 129.91 43.96 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.234 -1.157 . . . . 1.67 109.486 -179.85 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.441 ' OH ' ' HB2' ' D' ' 324' ' ' ASP . 16.5 m-85 -94.17 148.14 22.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.887 . . . . 0.61 109.572 179.995 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 71.9 m-85 -139.96 136.84 34.21 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.193 -0.942 . . . . 0.56 109.25 179.182 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.409 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 21.3 p -92.96 169.47 10.41 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.481 -0.762 . . . . 0.43 109.445 179.97 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' B' ' 342' ' ' ARG . 31.3 tp -149.77 132.85 16.26 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.064 -1.023 . . . . 0.35 109.892 -179.92 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -86.33 121.89 29.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.882 . . . . 1.37 108.962 179.552 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 27.6 mt -123.99 109.78 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.48 109.814 -179.723 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' B' ' 324' ' ' ASP . 1.9 ttt180 -74.06 146.14 43.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 2.08 109.458 179.871 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 101.04 133.07 7.99 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.622 -1.391 . . . . 0.4 109.622 179.911 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 22.0 ttp180 -79.64 -55.56 4.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.324 -1.103 . . . . 2.64 109.552 -179.919 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -58.52 -44.55 89.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 2.22 109.449 179.896 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.405 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.3 ttm180 -60.18 -43.71 95.63 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.376 -0.828 . . . . 2.74 109.574 -179.906 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' B' ' 329' ' ' THR . 31.0 t80 -55.35 -55.51 30.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.344 -0.848 . . . . 0.43 109.48 -179.874 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -51.7 -37.82 52.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.424 -0.798 . . . . 1.69 110.008 -179.665 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.26 -46.04 88.73 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.225 -0.922 . . . . 0.43 109.946 -179.407 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -61.36 -55.57 30.04 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.231 -0.918 . . . . 0.27 109.111 -179.897 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' B' ' 330' ' ' LEU . 0.1 OUTLIER -50.57 -36.45 34.72 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.536 -0.728 . . . . 2.45 109.615 179.852 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.58 -46.32 90.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.114 -0.991 . . . . 1.75 109.806 -179.804 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.658 HD22 HD22 ' C' ' 344' ' ' LEU . 22.1 mt -61.66 -41.11 97.07 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.29 -0.881 . . . . 0.31 109.364 -179.921 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -58.55 -47.17 85.11 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 1.22 109.622 179.845 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.18 -37.0 85.49 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.298 -0.876 . . . . 1.73 110.035 -179.627 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.874 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -49.36 77.97 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.312 -0.868 . . . . 0.28 110.033 -179.654 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.7 -45.05 95.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.31 109.827 -179.718 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.4 -35.09 73.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.284 -0.885 . . . . 1.91 109.616 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.657 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.6 tt -64.99 -48.15 75.0 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.855 . . . . 0.43 109.423 -179.868 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' C' ' 350' ' ' LEU . 31.7 ttmt -61.31 -35.46 77.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.434 -0.791 . . . . 1.57 109.1 179.851 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -57.01 -39.33 74.52 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.593 -0.692 . . . . 1.44 109.458 179.788 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.24 76.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.64 109.38 179.984 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -81.84 -1.5 47.75 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.232 -0.917 . . . . 1.21 109.489 -179.99 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.32 67.93 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.216 -0.928 . . . . 1.22 109.691 -179.853 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 42.73 3.17 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.717 -1.353 . . . . 1.5 109.717 -179.899 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -87.64 -79.87 0.28 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.076 -1.25 . . . . 4.18 109.787 -179.807 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -49.3 154.52 1.45 Allowed Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 121.368 -0.833 . . . . 5.67 109.904 -179.753 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.18 -81.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.341 2.027 . . . . 5.65 110.157 -179.983 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.429 0 CA-C-O 118.03 -1.428 . . . . 7.27 109.551 -179.986 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.528 -0.545 . . . . 7.33 109.528 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.29 -93.57 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.337 -0.852 . . . . 7.21 109.435 -179.926 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.6 mttt 56.25 100.81 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.149 -0.97 . . . . 6.47 109.471 179.897 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.622 ' HB3' ' CE1' ' A' ' 327' ' ' TYR . 1.1 Cg_endo -62.93 107.05 0.58 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.964 1.776 . . . . 4.53 109.999 -179.953 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.26 -95.17 0.07 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.293 -0.879 . . . . 4.35 110.334 -179.523 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.78 0.79 55.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.284 -0.885 . . . . 2.48 110.492 -178.995 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.574 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -66.9 102.91 0.82 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.579 -1.408 . . . . 0.98 109.579 -179.333 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.09 121.82 16.01 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.999 -0.707 . . . . 1.7 109.784 179.798 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.622 ' CE1' ' HB3' ' A' ' 322' ' ' PRO . 45.6 m-85 -100.6 151.46 21.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.183 -0.948 . . . . 0.61 109.396 179.546 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 94.2 m-85 -138.64 -169.09 2.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.239 -0.913 . . . . 0.58 109.697 -179.699 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 36.8 p -153.25 160.74 42.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.869 . . . . 0.42 109.325 -179.841 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.99 130.56 14.9 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.266 -0.896 . . . . 0.36 109.604 -179.796 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.71 132.5 33.85 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.298 -0.876 . . . . 1.37 109.47 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.659 HG21 ' HD2' ' A' ' 341' ' ' PHE . 44.7 mt -123.89 116.63 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.162 -0.961 . . . . 0.47 109.44 179.779 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -73.06 150.41 42.35 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 2.1 109.598 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.84 138.58 7.12 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.648 -1.381 . . . . 0.42 109.648 179.808 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.455 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 30.6 ttm180 -79.5 -51.67 9.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -1.097 . . . . 2.68 109.499 179.945 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -42.32 90.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 2.22 109.826 -179.887 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' C' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.95 97.64 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.336 -0.852 . . . . 2.77 109.623 -179.874 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' C' ' 329' ' ' THR . 43.4 t80 -55.51 -51.77 65.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.355 -0.841 . . . . 0.43 109.527 179.917 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.68 -39.45 61.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.431 -0.793 . . . . 1.66 110.006 -179.722 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.39 -47.15 85.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.255 -0.903 . . . . 0.44 110.275 -179.25 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.659 ' HD2' HG21 ' A' ' 332' ' ' ILE . 23.2 m-85 -60.62 -53.08 61.82 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.157 -0.964 . . . . 0.29 109.435 -179.759 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.68 -38.75 48.53 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.308 -0.87 . . . . 2.44 109.505 179.804 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -61.33 -45.14 95.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.291 -0.881 . . . . 1.74 109.885 -179.734 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' B' ' 344' ' ' LEU . 43.0 mt -61.92 -44.56 96.53 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.255 -0.903 . . . . 0.3 109.593 -179.642 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -58.1 -44.89 87.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.305 -0.872 . . . . 1.22 109.667 179.913 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.89 -37.63 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.72 109.729 -179.813 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.08 -48.9 79.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.27 109.887 -179.774 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' C' ' 337' ' ' ARG . 66.1 mt -61.42 -44.69 96.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.29 109.942 -179.618 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.0 -35.92 78.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.171 -0.956 . . . . 1.91 109.86 -179.868 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 18.2 tp -64.78 -43.15 94.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.379 -0.826 . . . . 0.41 109.487 -179.806 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -63.08 -49.39 74.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.306 -0.871 . . . . 1.56 109.192 179.799 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.72 -33.97 68.99 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.585 -0.697 . . . . 1.43 109.662 179.836 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.43 -34.55 77.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.368 -0.832 . . . . 0.66 109.643 -179.682 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.68 -8.59 59.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.18 109.62 -179.818 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.27 -24.71 61.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.145 -0.972 . . . . 1.23 109.379 179.879 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -6.29 83.84 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.663 -1.375 . . . . 1.54 109.663 179.976 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -86.46 125.87 34.01 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.114 -1.227 . . . . 4.18 109.667 -179.891 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -50.44 150.15 4.95 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.276 -0.89 . . . . 5.71 109.59 -179.989 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.78 129.21 26.83 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.294 1.996 . . . . 5.61 110.172 179.835 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.467 -1.453 . . . . 7.24 109.467 179.987 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.451 -0.574 . . . . 7.34 109.451 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.0 OUTLIER 58.47 -93.65 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 7.17 109.402 -179.981 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' B' ' 320' ' ' LYS . 64.6 mttt 56.32 100.81 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.135 -0.978 . . . . 6.44 109.392 179.829 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' B' ' 327' ' ' TYR . 1.1 Cg_endo -62.93 107.06 0.58 Allowed 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.038 1.826 . . . . 4.54 109.898 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.39 -95.09 0.07 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 4.32 110.352 -179.607 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.62 0.3 55.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.268 -0.895 . . . . 2.47 110.664 -179.087 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.581 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -66.17 102.79 0.76 Allowed Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.314 -1.422 . . . . 0.95 109.672 -179.416 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.23 121.91 16.27 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.837 -0.802 . . . . 1.61 109.72 179.778 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' B' ' 322' ' ' PRO . 46.1 m-85 -100.63 151.54 21.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.13 -0.981 . . . . 0.57 109.363 179.499 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 94.1 m-85 -138.6 -169.13 2.54 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.261 -0.899 . . . . 0.53 109.794 -179.668 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 37.3 p -153.29 160.55 42.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.38 109.321 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.4 tp -148.87 130.66 15.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.965 . . . . 0.36 109.676 -179.88 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.49 33.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.248 -0.907 . . . . 1.36 109.476 -179.982 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.642 HG21 ' HD2' ' B' ' 341' ' ' PHE . 44.7 mt -123.87 116.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.49 109.448 179.895 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -72.92 150.44 42.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 2.1 109.556 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.67 7.11 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.647 -1.381 . . . . 0.44 109.647 179.818 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.537 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 30.7 ttm180 -79.56 -51.7 8.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.301 -1.117 . . . . 2.72 109.437 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.42 90.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.383 -0.823 . . . . 2.21 109.76 -179.831 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.821 ' NH1' HD22 ' D' ' 348' ' ' LEU . 11.3 tpp180 -62.11 -44.15 97.29 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.314 -0.866 . . . . 2.79 109.6 -179.799 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CE1' ' O ' ' D' ' 329' ' ' THR . 43.2 t80 -55.38 -51.76 65.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.363 -0.835 . . . . 0.45 109.554 179.915 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -52.76 -39.4 62.18 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.448 -0.783 . . . . 1.68 110.008 -179.695 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.43 -47.09 85.6 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.159 -0.963 . . . . 0.43 110.301 -179.245 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HD2' HG21 ' B' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.99 62.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.136 -0.978 . . . . 0.28 109.404 -179.716 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.76 -38.76 49.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 2.52 109.418 179.89 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -61.4 -44.94 96.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 1.75 109.912 -179.709 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.689 HD22 HD22 ' A' ' 344' ' ' LEU . 42.9 mt -61.98 -44.58 96.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -0.887 . . . . 0.31 109.571 -179.708 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' D' ' 330' ' ' LEU . 45.9 t30 -58.13 -44.98 88.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.31 -0.869 . . . . 1.21 109.619 179.961 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.83 -37.49 86.99 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.334 -0.854 . . . . 1.69 109.79 -179.857 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.832 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.13 -48.98 79.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.255 -0.903 . . . . 0.27 109.806 -179.784 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.772 HD22 ' NH1' ' D' ' 337' ' ' ARG . 67.4 mt -61.42 -44.74 96.61 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.408 -0.808 . . . . 0.3 109.879 -179.518 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.06 -35.9 78.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.309 -0.869 . . . . 1.93 109.778 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.476 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 18.2 tp -64.68 -43.03 94.86 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.4 109.588 -179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.23 -49.31 74.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.391 -0.818 . . . . 1.59 109.171 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.8 -33.91 69.07 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.485 -0.76 . . . . 1.43 109.66 179.869 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.52 77.32 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.345 -0.847 . . . . 0.65 109.669 -179.717 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.75 -8.44 59.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.329 -0.857 . . . . 1.19 109.623 -179.843 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.68 61.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.149 -0.969 . . . . 1.22 109.372 179.821 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.44 -6.33 83.85 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.719 -1.352 . . . . 1.53 109.719 179.954 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -86.5 125.9 34.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 4.21 109.604 -179.838 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -50.51 150.16 5.04 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.426 -0.796 . . . . 5.68 109.548 -179.967 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.84 129.28 27.02 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.222 1.948 . . . . 5.57 110.093 179.9 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 118.003 -1.443 . . . . 7.2 109.555 179.975 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.479 -0.563 . . . . 8.96 109.479 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.45 -93.6 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.29 -0.882 . . . . 8.15 109.492 -179.899 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 64.4 mttt 56.18 100.92 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.103 -0.998 . . . . 7.15 109.387 179.874 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.623 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 1.2 Cg_endo -63.03 107.09 0.6 Allowed 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.01 1.806 . . . . 4.35 109.97 179.995 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.3 -95.29 0.07 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.171 -0.956 . . . . 4.63 110.306 -179.525 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.7 0.64 55.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 2.85 110.573 -178.991 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.573 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -66.66 102.9 0.81 Allowed Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.247 -1.454 . . . . 1.12 109.646 -179.384 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.04 121.78 15.91 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.948 -0.737 . . . . 2.11 109.837 179.767 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.623 ' CE1' ' HB3' ' C' ' 322' ' ' PRO . 46.0 m-85 -100.58 151.54 21.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.201 -0.937 . . . . 0.64 109.295 179.552 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 93.9 m-85 -138.64 -169.13 2.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.49 109.732 -179.743 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.418 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 36.7 p -153.32 160.68 42.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.47 109.253 -179.866 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -148.92 130.62 15.02 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.194 -0.942 . . . . 0.42 109.54 -179.749 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -86.91 132.58 33.77 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.294 -0.879 . . . . 1.81 109.519 179.923 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.65 HG21 ' HD2' ' C' ' 341' ' ' PHE . 44.7 mt -123.87 116.59 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.123 -0.986 . . . . 0.42 109.386 179.929 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.05 150.4 42.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.35 109.541 179.963 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.75 138.56 7.06 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.753 -1.339 . . . . 0.41 109.753 179.875 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.434 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 30.7 ttm180 -79.51 -51.68 9.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -1.132 . . . . 2.59 109.437 -179.986 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -42.35 90.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.403 -0.811 . . . . 2.54 109.808 -179.896 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.8 ' NH1' HD22 ' A' ' 348' ' ' LEU . 11.3 tpp180 -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.223 -0.923 . . . . 3.39 109.594 -179.758 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CE1' ' O ' ' A' ' 329' ' ' THR . 43.6 t80 -55.51 -51.73 66.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.402 -0.811 . . . . 0.47 109.49 179.943 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -52.77 -39.43 62.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.318 -0.864 . . . . 1.66 109.931 -179.642 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttp -62.34 -47.14 85.53 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.312 -0.867 . . . . 0.61 110.353 -179.295 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.65 ' HD2' HG21 ' C' ' 332' ' ' ILE . 23.2 m-85 -60.64 -53.11 61.37 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.236 -0.915 . . . . 0.33 109.405 -179.762 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -50.78 -38.6 49.16 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.369 -0.832 . . . . 3.28 109.486 179.872 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -61.42 -45.03 96.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.233 -0.917 . . . . 1.78 109.92 -179.757 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' D' ' 344' ' ' LEU . 43.0 mt -61.83 -44.72 96.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.38 109.572 -179.666 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -57.96 -45.02 87.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.347 -0.846 . . . . 1.2 109.626 179.962 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.96 -37.5 87.36 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.318 -0.864 . . . . 2.12 109.721 -179.687 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.98 -49.0 79.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.905 . . . . 0.26 109.857 -179.843 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.8 HD22 ' NH1' ' A' ' 337' ' ' ARG . 66.7 mt -61.42 -44.86 96.39 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.358 -0.839 . . . . 0.4 109.895 -179.572 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.92 -35.98 78.12 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 2.09 109.784 -179.809 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 18.2 tp -64.69 -43.2 94.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.75 109.468 -179.792 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -63.08 -49.34 74.91 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.411 -0.805 . . . . 2.19 109.177 179.877 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -34.01 69.04 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.529 -0.732 . . . . 1.34 109.668 179.822 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.65 77.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.883 . . . . 0.72 109.713 -179.772 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.61 -8.56 59.6 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.193 -0.942 . . . . 1.8 109.542 -179.766 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.41 -24.53 61.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.212 -0.93 . . . . 1.39 109.332 179.997 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.57 -6.23 83.6 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.721 -1.352 . . . . 1.66 109.721 179.956 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -86.5 125.98 34.12 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.14 -1.212 . . . . 4.45 109.527 -179.753 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -50.64 150.19 5.19 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.343 -0.848 . . . . 6.19 109.61 -179.969 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.82 129.33 27.2 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.27 1.98 . . . . 5.58 110.123 179.918 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.498 -1.441 . . . . 6.9 109.498 -179.98 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.459 -0.571 . . . . 7.36 109.459 . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 321' ' ' LYS . 0.0 OUTLIER 58.38 -93.58 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.932 . . . . 7.15 109.442 -179.976 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' D' ' 320' ' ' LYS . 64.3 mttt 56.35 100.84 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.17 -0.956 . . . . 6.5 109.419 179.858 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.619 ' HB3' ' CE1' ' D' ' 327' ' ' TYR . 1.1 Cg_endo -63.07 107.07 0.6 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.018 1.812 . . . . 4.5 109.957 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 4.1 mt -84.24 -95.17 0.07 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.343 -0.848 . . . . 4.32 110.389 -179.559 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.63 0.53 55.52 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.196 -0.94 . . . . 2.46 110.589 -179.138 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.576 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -66.64 102.84 0.8 Allowed Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.347 -1.406 . . . . 0.97 109.638 -179.373 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.06 121.81 15.99 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.969 -0.724 . . . . 1.67 109.714 179.815 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.619 ' CE1' ' HB3' ' D' ' 322' ' ' PRO . 45.7 m-85 -100.59 151.59 21.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.172 -0.955 . . . . 0.61 109.388 179.454 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 94.0 m-85 -138.66 -169.19 2.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.56 109.764 -179.684 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.461 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 37.2 p -153.29 160.51 42.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.342 -0.849 . . . . 0.43 109.389 -179.897 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' B' ' 345' ' ' ASN . 11.4 tp -148.83 130.63 15.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.35 109.552 -179.765 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -86.83 132.42 33.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.31 -0.869 . . . . 1.37 109.444 -179.97 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.648 HG21 ' HD2' ' D' ' 341' ' ' PHE . 44.0 mt -123.76 116.59 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.173 -0.955 . . . . 0.48 109.487 179.817 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -73.21 150.41 42.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.274 -0.892 . . . . 2.08 109.537 -179.908 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 89.85 138.54 7.11 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.709 -1.356 . . . . 0.4 109.709 179.932 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 30.6 ttm180 -79.52 -51.65 9.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.238 -1.154 . . . . 2.64 109.49 179.959 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -42.27 90.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.356 -0.84 . . . . 2.22 109.849 -179.861 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.772 ' NH1' HD22 ' B' ' 348' ' ' LEU . 11.4 tpp180 -62.2 -43.98 97.6 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.271 -0.893 . . . . 2.74 109.653 -179.921 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 43.4 t80 -55.48 -51.77 65.86 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.399 -0.813 . . . . 0.43 109.562 179.899 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.62 -39.46 61.71 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.69 110.088 -179.776 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.4 ttp -62.47 -47.11 85.46 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.233 -0.917 . . . . 0.43 110.216 -179.215 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.648 ' HD2' HG21 ' D' ' 332' ' ' ILE . 23.2 m-85 -60.71 -52.94 62.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.176 -0.952 . . . . 0.27 109.415 -179.689 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -50.86 -38.67 50.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.296 -0.877 . . . . 2.45 109.543 179.867 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -61.25 -45.13 95.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.28 -0.887 . . . . 1.75 109.909 -179.84 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.646 HD22 HD22 ' C' ' 344' ' ' LEU . 43.1 mt -61.83 -44.59 96.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.31 109.617 -179.679 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.14 -44.97 88.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.222 -0.924 . . . . 1.22 109.607 -179.994 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.87 -37.53 87.23 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.242 -0.911 . . . . 1.73 109.761 -179.789 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.785 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.09 -48.96 79.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.196 -0.94 . . . . 0.28 109.813 -179.741 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.821 HD22 ' NH1' ' B' ' 337' ' ' ARG . 67.2 mt -61.47 -44.86 96.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.312 -0.868 . . . . 0.31 109.858 -179.513 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -60.84 -35.92 77.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.051 -1.031 . . . . 1.91 109.836 -179.845 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 18.4 tp -64.67 -43.18 94.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.43 109.577 -179.867 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . 35.4 ttmt -63.16 -49.4 74.46 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 1.57 109.152 179.836 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.69 -33.98 68.95 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.498 -0.751 . . . . 1.44 109.639 179.865 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.49 77.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.345 -0.847 . . . . 0.64 109.717 -179.725 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.81 -8.5 59.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.91 . . . . 1.21 109.653 -179.849 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.29 -24.6 61.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.22 109.395 179.843 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -6.11 83.51 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.673 -1.371 . . . . 1.5 109.673 -179.974 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -86.5 125.94 34.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -1.166 . . . . 4.18 109.655 -179.938 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -50.65 150.24 5.17 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.369 -0.832 . . . . 5.67 109.61 -179.931 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.88 129.29 26.96 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.23 1.953 . . . . 5.65 110.107 179.984 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.373 0 CA-C-O 117.959 -1.467 . . . . 7.27 109.593 -179.923 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.462 -0.57 . . . . 7.33 109.462 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.6 169.13 0.09 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 7.21 109.45 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.25 94.97 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 6.47 109.555 179.908 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -69.13 5.81 1.32 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.424 2.083 . . . . 4.53 111.421 179.77 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 323' ' ' LEU . 9.0 mt -79.55 8.2 6.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.805 -1.184 . . . . 4.35 110.073 -179.705 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -78.07 -172.83 2.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.191 -0.943 . . . . 2.48 109.527 179.952 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.63 156.73 53.26 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.65 -1.38 . . . . 0.98 109.65 -179.975 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -58.77 134.66 57.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.302 -1.116 . . . . 1.7 109.412 179.983 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.1 m-85 -94.45 158.8 15.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.61 109.704 -179.897 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.523 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 95.3 m-85 -138.48 -168.49 2.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.58 109.638 179.973 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.565 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.4 p -154.51 152.53 30.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.42 109.474 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' C' ' 345' ' ' ASN . 10.2 tp -148.03 133.03 18.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.36 109.578 -179.79 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.0 tt0 -87.53 132.36 34.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.365 -0.834 . . . . 1.37 109.741 -179.864 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 341' ' ' PHE . 37.0 mt -123.98 115.38 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.47 109.349 179.65 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.3 148.78 41.09 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 2.1 109.557 179.933 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.48 133.93 8.21 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.752 -1.339 . . . . 0.42 109.752 179.73 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.536 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttt180 -70.5 -61.65 1.69 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.226 -1.161 . . . . 2.68 109.465 179.839 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -58.72 -38.69 78.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.272 -0.892 . . . . 2.22 109.55 -179.993 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.471 ' NH1' ' HG2' ' A' ' 337' ' ' ARG . 0.0 OUTLIER -56.81 -48.64 77.51 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.318 -0.864 . . . . 2.77 109.93 -179.791 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' C' ' 329' ' ' THR . 53.7 t80 -55.51 -57.86 10.18 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.272 -0.893 . . . . 0.43 109.611 -179.686 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -50.91 -35.43 33.0 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.22 -0.925 . . . . 1.66 109.956 -179.731 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.22 -51.32 66.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.066 -1.021 . . . . 0.44 110.437 -179.204 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.673 ' HB2' HD13 ' A' ' 332' ' ' ILE . 33.6 m-85 -61.46 -51.63 67.88 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.063 -1.023 . . . . 0.29 109.459 -179.767 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -50.99 -35.81 35.87 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.373 -0.829 . . . . 2.44 109.737 179.955 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.33 -50.51 73.33 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.131 -0.981 . . . . 1.74 109.688 -179.733 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 344' ' ' LEU . 95.2 mt -61.41 -34.2 74.98 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.213 -0.929 . . . . 0.3 109.0 179.927 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.502 ' HB2' HD21 ' C' ' 330' ' ' LEU . 18.4 t-20 -59.7 -53.96 51.94 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.809 . . . . 1.22 109.721 179.751 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.305 -0.872 . . . . 1.72 109.884 -179.488 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.36 -52.02 67.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.27 109.899 -179.521 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.564 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 41.2 mt -61.17 -43.23 99.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.326 -0.859 . . . . 0.29 109.713 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.14 -33.36 72.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 1.91 109.78 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.7 -47.69 77.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.41 109.514 -179.683 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.06 -46.63 89.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 1.56 109.011 179.78 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.06 63.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.642 -0.661 . . . . 1.43 109.48 179.496 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.8 81.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.358 -0.839 . . . . 0.66 109.74 -179.785 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' B' ' 350' ' ' LEU . 4.3 mt-30 -83.48 -17.42 42.05 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 1.18 109.589 -179.86 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.82 -18.73 60.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.23 109.699 179.931 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 -4.77 85.25 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.088 -1.205 . . . . 1.54 110.088 -179.721 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -86.56 -87.25 0.14 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.123 -1.222 . . . . 4.18 109.807 -179.67 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.19 165.28 0.33 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.218 -0.926 . . . . 5.71 109.909 -179.624 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.2 -179.08 0.22 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.376 2.051 . . . . 5.61 110.38 -179.999 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 CA-C-O 117.954 -1.47 . . . . 7.24 109.523 179.965 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.263 0.554 . . . . 7.34 109.558 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.74 169.13 0.09 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.236 -0.915 . . . . 7.17 109.458 180.0 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.12 95.08 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.31 -0.869 . . . . 6.44 109.579 179.944 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -69.12 5.72 1.35 Allowed 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.489 2.126 . . . . 4.54 111.411 179.742 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.416 HD23 ' N ' ' B' ' 323' ' ' LEU . 9.0 mt -79.51 8.19 6.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.796 -1.19 . . . . 4.32 110.146 -179.68 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -78.17 -172.85 2.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.205 -0.934 . . . . 2.47 109.456 -179.969 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.69 156.88 53.3 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.67 -1.372 . . . . 0.95 109.67 -179.893 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -58.83 134.65 57.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 1.61 109.448 -179.955 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 11.6 m-85 -94.46 158.73 15.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.57 109.734 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' ' 331' ' ' GLN . 95.1 m-85 -138.32 -168.48 2.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.53 109.587 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.579 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.6 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.185 -0.947 . . . . 0.38 109.467 -179.978 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' D' ' 345' ' ' ASN . 10.2 tp -148.0 133.02 18.19 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.206 -0.934 . . . . 0.36 109.505 -179.807 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 2.0 tt0 -87.47 132.35 34.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 1.36 109.739 -179.91 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' B' ' 341' ' ' PHE . 36.5 mt -123.95 115.42 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.288 -0.883 . . . . 0.49 109.38 179.613 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -74.27 148.64 41.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 2.1 109.563 179.961 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.56 133.98 8.24 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.731 -1.348 . . . . 0.44 109.731 179.663 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttt180 -70.62 -61.62 1.7 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.295 -1.12 . . . . 2.72 109.391 179.936 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.77 -38.62 78.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.456 -0.778 . . . . 2.21 109.564 -179.945 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG2' ' NH1' ' B' ' 337' ' ' ARG . 0.0 OUTLIER -56.95 -48.52 78.12 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.32 -0.862 . . . . 2.79 109.912 -179.77 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.57 ' CE1' ' O ' ' D' ' 329' ' ' THR . 53.6 t80 -55.32 -57.93 9.8 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.373 -0.83 . . . . 0.45 109.727 -179.842 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.04 -35.24 33.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 1.68 109.891 -179.615 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.36 -51.21 66.84 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.26 -0.9 . . . . 0.43 110.39 -179.154 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.68 ' HB2' HD13 ' B' ' 332' ' ' ILE . 33.0 m-85 -61.65 -51.54 68.02 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.146 -0.971 . . . . 0.28 109.4 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.85 -36.04 35.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.359 -0.838 . . . . 2.52 109.693 179.845 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.21 -50.42 73.74 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.129 -0.982 . . . . 1.75 109.782 -179.682 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 344' ' ' LEU . 95.2 mt -61.41 -34.26 75.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -0.917 . . . . 0.31 108.99 179.876 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.497 ' HB2' HD21 ' D' ' 330' ' ' LEU . 18.5 t-20 -59.68 -53.91 52.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.45 -0.781 . . . . 1.21 109.825 179.775 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -63.26 -33.99 76.7 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 1.69 109.994 -179.617 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -52.11 66.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.247 -0.908 . . . . 0.27 109.874 -179.551 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.535 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 41.0 mt -61.16 -43.24 99.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.3 109.616 -179.668 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -60.25 -33.21 71.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.213 -0.929 . . . . 1.93 109.801 -179.97 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.653 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.82 -47.59 77.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.13 -0.981 . . . . 0.4 109.494 -179.648 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 23.4 ttmm -61.16 -46.52 90.17 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.462 -0.774 . . . . 1.59 109.012 179.766 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -30.16 63.64 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.629 -0.669 . . . . 1.43 109.357 179.51 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.8 81.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.324 -0.86 . . . . 0.65 109.693 -179.656 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.39 -17.44 42.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 1.19 109.687 -179.92 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.86 -18.63 60.4 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.207 -0.933 . . . . 1.22 109.668 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.65 -4.75 85.09 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 110.072 -1.211 . . . . 1.53 110.072 -179.765 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -86.6 -87.17 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -1.213 . . . . 4.21 109.822 -179.686 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.24 165.3 0.34 Allowed Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 5.68 109.885 -179.644 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -60.24 -179.03 0.22 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.411 2.074 . . . . 5.57 110.338 -179.98 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.987 -1.452 . . . . 7.2 109.485 179.974 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 121.251 0.548 . . . . 8.96 109.606 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.66 169.1 0.09 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.221 -0.924 . . . . 8.15 109.439 -179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.16 95.13 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 7.15 109.557 179.921 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -69.18 5.72 1.38 Allowed 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.421 2.081 . . . . 4.35 111.383 179.777 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.42 ' N ' HD23 ' C' ' 323' ' ' LEU . 8.9 mt -79.44 8.15 6.77 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.809 -1.182 . . . . 4.63 110.158 -179.729 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -78.11 -172.78 2.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 2.85 109.549 -179.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 156.81 53.43 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.666 -1.374 . . . . 1.12 109.666 -179.863 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -58.78 134.67 57.06 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.172 -1.193 . . . . 2.11 109.469 -179.922 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 11.7 m-85 -94.4 158.92 15.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.897 . . . . 0.64 109.693 -179.908 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 95.2 m-85 -138.59 -168.49 2.41 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.337 -0.852 . . . . 0.49 109.586 179.982 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.576 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.4 p -154.55 152.4 30.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.47 109.469 -179.879 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 345' ' ' ASN . 10.2 tp -148.01 133.07 18.24 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.102 -0.999 . . . . 0.42 109.508 -179.815 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 2.0 tt0 -87.5 132.36 34.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.171 -0.956 . . . . 1.81 109.824 -179.948 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.662 HD13 ' HB2' ' C' ' 341' ' ' PHE . 36.3 mt -123.99 115.33 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -0.875 . . . . 0.42 109.392 179.683 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.23 148.82 41.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.2 -0.938 . . . . 2.35 109.554 179.994 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.51 133.94 8.21 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.779 -1.328 . . . . 0.41 109.779 179.64 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.523 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttt180 -70.52 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.37 -1.077 . . . . 2.59 109.469 179.892 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.85 -38.48 78.84 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.396 -0.815 . . . . 2.54 109.542 -179.944 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.472 ' HG2' ' NH1' ' C' ' 337' ' ' ARG . 0.0 OUTLIER -56.98 -48.54 78.18 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.345 -0.847 . . . . 3.39 109.982 -179.847 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 329' ' ' THR . 54.0 t80 -55.46 -57.82 10.32 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.358 -0.838 . . . . 0.47 109.716 -179.81 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.1 -35.14 33.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 1.66 109.903 -179.694 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.3 ttp -63.44 -51.23 66.58 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.171 -0.956 . . . . 0.61 110.319 -179.178 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.662 ' HB2' HD13 ' C' ' 332' ' ' ILE . 33.1 m-85 -61.74 -51.39 68.56 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.085 -1.009 . . . . 0.33 109.459 -179.628 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.03 -35.9 36.73 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.419 -0.801 . . . . 3.28 109.723 179.811 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.14 -50.57 73.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.114 -0.991 . . . . 1.78 109.738 -179.776 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.39 -34.33 75.17 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.91 . . . . 0.38 108.989 179.964 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.484 ' HB2' HD21 ' A' ' 330' ' ' LEU . 18.4 t-20 -59.58 -53.97 51.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.43 -0.794 . . . . 1.2 109.83 179.738 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.25 -33.95 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.275 -0.89 . . . . 2.12 109.985 -179.578 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.26 -52.12 66.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.945 . . . . 0.26 109.955 -179.647 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.571 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 40.8 mt -61.2 -43.23 99.21 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.261 -0.899 . . . . 0.4 109.612 -179.677 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.17 -33.27 71.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.282 -0.886 . . . . 2.09 109.82 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.651 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.75 -47.58 77.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.75 109.537 -179.703 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.23 -46.54 89.98 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.338 -0.851 . . . . 2.19 108.936 179.817 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.92 -30.02 63.59 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.54 -0.725 . . . . 1.34 109.486 179.461 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.76 81.72 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.329 -0.857 . . . . 0.72 109.651 -179.697 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' D' ' 350' ' ' LEU . 4.3 mt-30 -83.44 -17.32 42.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.258 -0.901 . . . . 1.8 109.709 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.68 60.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.219 -0.926 . . . . 1.39 109.626 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.61 -4.84 85.1 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 110.019 -1.232 . . . . 1.66 110.019 -179.721 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -86.49 -87.18 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.116 -1.226 . . . . 4.45 109.857 -179.71 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.26 165.23 0.34 Allowed Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.241 -0.912 . . . . 6.19 109.892 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.06 -178.83 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.306 2.004 . . . . 5.58 110.392 -179.998 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 CA-C-O 117.984 -1.453 . . . . 6.9 109.502 179.959 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.518 -0.549 . . . . 7.36 109.518 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? 60.61 169.14 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.262 -0.899 . . . . 7.15 109.474 -179.991 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt 61.15 95.05 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.198 -0.939 . . . . 6.5 109.593 179.982 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -69.18 5.85 1.33 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.467 2.112 . . . . 4.5 111.44 179.743 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.411 ' N ' HD23 ' D' ' 323' ' ' LEU . 9.0 mt -79.57 8.15 6.96 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.892 -1.13 . . . . 4.32 110.124 -179.719 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.93 -172.83 2.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.138 -0.977 . . . . 2.46 109.58 179.931 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.73 156.72 53.34 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.651 -1.38 . . . . 0.97 109.651 -179.943 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -58.64 134.72 57.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.301 -1.117 . . . . 1.67 109.502 179.944 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.3 m-85 -94.59 158.82 15.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.61 109.645 -179.848 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.1 m-85 -138.52 -168.51 2.41 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.316 -0.865 . . . . 0.56 109.59 -179.998 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.57 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -154.48 152.54 30.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 0.43 109.446 -179.93 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.497 HD21 ' HB2' ' B' ' 345' ' ' ASN . 10.2 tp -148.06 133.0 18.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.216 -0.927 . . . . 0.35 109.541 -179.811 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 2.1 tt0 -87.44 132.3 34.04 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 1.37 109.871 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' D' ' 341' ' ' PHE . 37.0 mt -123.93 115.59 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.2 -0.937 . . . . 0.48 109.378 179.581 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -74.42 148.7 40.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.199 -0.938 . . . . 2.08 109.521 179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 98.6 133.8 8.17 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.722 -1.351 . . . . 0.4 109.722 179.628 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.449 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.6 ttt180 -70.35 -61.64 1.69 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -1.144 . . . . 2.64 109.503 179.818 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -58.8 -38.54 78.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.443 -0.786 . . . . 2.22 109.579 -179.967 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.473 ' NH1' ' HG2' ' D' ' 337' ' ' ARG . 0.0 OUTLIER -56.96 -48.49 78.23 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.315 -0.866 . . . . 2.74 109.933 -179.787 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' B' ' 329' ' ' THR . 53.7 t80 -55.5 -57.92 9.9 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.386 -0.821 . . . . 0.43 109.625 -179.797 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -51.01 -35.24 33.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.297 -0.877 . . . . 1.69 109.859 -179.61 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 9.4 ttp -63.43 -51.25 66.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 0.43 110.275 -179.095 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' D' ' 332' ' ' ILE . 33.5 m-85 -61.56 -51.57 68.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.112 -0.992 . . . . 0.27 109.403 -179.642 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -51.0 -35.91 36.47 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.428 -0.795 . . . . 2.45 109.675 179.932 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -60.26 -50.42 73.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 1.75 109.734 -179.705 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' D' ' 344' ' ' LEU . 95.3 mt -61.44 -34.24 75.07 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.25 -0.906 . . . . 0.31 108.988 179.923 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.472 ' HB2' HD21 ' B' ' 330' ' ' LEU . 18.5 t-20 -59.76 -53.94 52.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.432 -0.793 . . . . 1.22 109.751 179.776 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.18 -34.11 76.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 1.73 109.942 -179.594 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.03 -52.21 66.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.18 -0.95 . . . . 0.28 109.927 -179.641 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.504 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 41.1 mt -61.17 -43.35 99.02 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.289 -0.882 . . . . 0.31 109.612 -179.61 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.2 -33.19 71.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.28 -0.887 . . . . 1.91 109.816 179.996 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.652 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.4 tt -64.72 -47.69 77.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.302 -0.874 . . . . 0.43 109.492 -179.74 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -61.17 -46.57 89.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.873 . . . . 1.57 108.944 179.828 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -30.08 63.52 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.682 -0.636 . . . . 1.44 109.466 179.54 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.54 -35.83 82.02 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.338 -0.851 . . . . 0.64 109.729 -179.779 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.39 -17.41 42.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.124 -0.985 . . . . 1.21 109.716 -179.957 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.83 -18.69 60.41 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.075 -1.016 . . . . 1.22 109.732 179.915 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 -4.7 84.97 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.984 -1.246 . . . . 1.5 109.984 -179.696 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -86.63 -87.19 0.14 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.147 -1.208 . . . . 4.18 109.791 -179.691 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.16 165.25 0.33 Allowed Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.175 -0.953 . . . . 5.67 109.894 -179.634 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -60.13 -178.99 0.21 Allowed 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.369 2.046 . . . . 5.65 110.355 179.985 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.018 -1.434 . . . . 7.27 109.534 179.964 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.472 -0.566 . . . . 7.33 109.472 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 319' ' ' LYS . 1.9 ttpp 80.04 -25.78 0.17 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.519 -0.738 . . . . 7.21 110.864 179.806 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 58.23 85.87 0.18 Allowed Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 120.831 -1.168 . . . . 6.47 109.798 -179.928 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -67.58 -3.88 11.03 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.191 1.927 . . . . 4.53 110.565 179.818 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 323' ' ' LEU . 4.5 mm? -83.95 12.02 6.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 4.35 109.634 179.837 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 324' ' ' ASP . 5.8 m-20 -78.12 -130.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.351 -0.843 . . . . 2.48 109.369 -179.771 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 143.33 42.39 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.539 -1.425 . . . . 0.98 109.539 -179.809 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -60.46 144.57 50.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.519 -0.989 . . . . 1.7 109.649 -179.903 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -94.85 155.98 16.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.237 -0.914 . . . . 0.61 109.068 179.387 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.9 m-85 -138.54 -168.82 2.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.185 -0.947 . . . . 0.58 109.791 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.48 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 16.6 p -155.12 158.22 38.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.403 -0.811 . . . . 0.42 109.358 -179.903 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' C' ' 329' ' ' THR . 9.9 tp -147.95 128.83 14.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.36 109.427 -179.96 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -86.84 129.43 34.88 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.321 -0.862 . . . . 1.37 109.61 -179.827 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 341' ' ' PHE . 43.0 mt -123.91 119.07 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.927 . . . . 0.47 109.468 179.672 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.4 149.75 42.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.332 -0.855 . . . . 2.1 109.51 -179.983 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.59 5.98 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.716 -1.354 . . . . 0.42 109.716 179.889 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 tpt180 -80.16 -51.66 8.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.242 -1.152 . . . . 2.68 109.572 179.937 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.251 -0.906 . . . . 2.22 109.697 -179.698 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.663 HH12 HD22 ' C' ' 348' ' ' LEU . 9.0 tpp180 -63.32 -44.76 94.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.263 -0.898 . . . . 2.77 109.589 -179.974 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.493 ' CE1' ' O ' ' C' ' 329' ' ' THR . 58.9 t80 -53.59 -49.98 66.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.358 -0.839 . . . . 0.43 109.455 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 20.6 mt-10 -52.57 -39.86 61.96 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.376 -0.827 . . . . 1.66 109.833 -179.941 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.21 -45.48 93.18 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.296 -0.877 . . . . 0.44 110.176 -179.257 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.524 ' CG ' HD13 ' A' ' 332' ' ' ILE . 29.0 m-85 -61.44 -53.38 57.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.161 -0.962 . . . . 0.29 109.282 -179.837 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.67 -39.04 49.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.425 -0.797 . . . . 2.44 109.82 179.924 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.85 -44.88 96.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.158 -0.964 . . . . 1.74 109.873 -179.682 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 344' ' ' LEU . 92.8 mt -62.01 -44.83 95.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.214 -0.929 . . . . 0.3 109.571 -179.738 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.413 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.08 -43.73 87.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.382 -0.824 . . . . 1.22 109.723 179.996 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -38.9 93.0 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.897 . . . . 1.72 109.94 -179.697 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.51 -49.54 77.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.27 109.976 -179.684 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.707 HD22 HH12 ' C' ' 337' ' ' ARG . 43.8 mt -61.52 -43.74 98.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.357 -0.839 . . . . 0.29 109.663 -179.758 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.84 -36.27 76.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.231 -0.918 . . . . 1.91 109.675 -179.938 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.57 -45.7 85.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.41 109.7 -179.909 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . 0.6 OUTLIER -61.36 -41.51 97.19 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.263 -0.898 . . . . 1.56 109.076 -179.941 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -57.2 -32.42 66.47 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.566 -0.709 . . . . 1.43 109.697 179.682 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.67 -40.8 88.73 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.9 . . . . 0.66 109.813 -179.727 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -81.32 -5.16 57.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.18 109.629 -179.786 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.58 -82.41 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.05 -1.031 . . . . 1.23 109.17 179.665 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.17 61.49 4.64 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.552 -1.419 . . . . 1.54 109.552 179.766 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 357' ' ' LYS . 22.0 tttp -86.64 13.31 8.84 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -1.117 . . . . 4.18 109.566 -179.87 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -49.0 160.96 0.45 Allowed Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.223 -0.923 . . . . 5.71 109.686 -179.77 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.71 -81.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.325 2.017 . . . . 5.61 110.335 -179.809 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.53 -1.428 . . . . 7.24 109.53 -179.941 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' B' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.503 -0.554 . . . . 7.34 109.503 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 319' ' ' LYS . 1.9 ttpp 79.96 -25.76 0.17 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.465 -0.772 . . . . 7.17 110.827 179.763 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.28 86.0 0.17 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 120.801 -1.187 . . . . 6.44 109.717 -179.999 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -67.7 -3.9 11.19 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.28 1.986 . . . . 4.54 110.522 179.883 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.491 HD22 ' N ' ' B' ' 323' ' ' LEU . 4.5 mm? -83.9 11.89 6.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.092 -1.005 . . . . 4.32 109.683 179.852 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 324' ' ' ASP . 5.8 m-20 -77.99 -130.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.316 -0.865 . . . . 2.47 109.392 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.0 143.23 42.97 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.593 -1.403 . . . . 0.95 109.593 -179.945 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -60.6 144.57 51.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -1.071 . . . . 1.61 109.614 -179.88 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.42 ' HB3' ' OE1' ' D' ' 331' ' ' GLN . 44.9 m-85 -94.82 155.91 16.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.405 -0.809 . . . . 0.57 109.089 179.42 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.514 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 69.8 m-85 -138.49 -168.89 2.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.159 -0.963 . . . . 0.53 109.752 -179.824 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 16.3 p -154.93 158.28 39.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.297 -0.877 . . . . 0.38 109.317 -179.869 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.8 tp -147.9 128.8 14.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.16 -0.963 . . . . 0.36 109.482 179.985 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.4 34.89 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 1.36 109.694 -179.907 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.53 HD13 ' CG ' ' B' ' 341' ' ' PHE . 43.3 mt -123.95 119.11 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.49 109.4 179.749 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.45 149.79 42.12 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.193 -0.942 . . . . 2.1 109.463 -179.973 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.01 135.7 6.02 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.701 -1.36 . . . . 0.44 109.701 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 tpt180 -80.33 -51.53 8.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.221 -1.164 . . . . 2.72 109.575 179.962 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.51 -44.63 85.2 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.21 109.71 -179.773 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.711 HH12 HD22 ' D' ' 348' ' ' LEU . 9.0 tpp180 -63.31 -44.77 94.05 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.303 -0.873 . . . . 2.79 109.594 179.956 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.466 ' CE1' ' O ' ' D' ' 329' ' ' THR . 59.2 t80 -53.71 -49.95 66.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.838 . . . . 0.45 109.415 -179.905 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 335' ' ' ARG . 20.6 mt-10 -52.61 -39.73 61.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.249 -0.907 . . . . 1.68 109.858 -179.979 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.28 -45.45 93.21 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.246 -0.909 . . . . 0.43 110.195 -179.341 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.53 ' CG ' HD13 ' B' ' 332' ' ' ILE . 28.9 m-85 -61.45 -53.3 58.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.179 -0.951 . . . . 0.28 109.383 -179.896 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -50.76 -38.98 51.05 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.315 -0.865 . . . . 2.52 109.734 179.932 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -60.92 -44.89 96.57 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.119 -0.988 . . . . 1.75 109.817 -179.624 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 344' ' ' LEU . 92.9 mt -61.97 -44.85 95.87 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.31 109.645 -179.769 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.427 ' HB2' HD21 ' D' ' 330' ' ' LEU . 38.6 t30 -58.19 -43.5 87.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.21 109.735 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.27 -38.95 93.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.401 -0.812 . . . . 1.69 109.848 -179.718 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.787 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.304 -0.873 . . . . 0.27 109.948 -179.677 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.651 HD22 HH12 ' D' ' 337' ' ' ARG . 44.9 mt -61.51 -43.82 98.18 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.326 -0.859 . . . . 0.3 109.56 -179.689 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -59.82 -36.27 76.45 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.291 -0.881 . . . . 1.93 109.728 -179.875 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 351' ' ' LYS . 8.7 tp -64.64 -45.75 85.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.4 109.625 -179.912 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.19 -41.61 97.12 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.28 -0.887 . . . . 1.59 109.083 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.25 -32.34 66.46 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.603 -0.686 . . . . 1.43 109.639 179.741 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.72 88.02 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.343 -0.848 . . . . 0.65 109.724 -179.621 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -81.32 -5.1 57.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.191 -0.943 . . . . 1.19 109.643 -179.893 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.59 -82.48 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 1.22 109.165 179.632 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.14 61.38 4.66 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.612 -1.395 . . . . 1.53 109.612 179.77 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 357' ' ' LYS . 22.0 tttp -86.48 13.15 8.82 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.154 -1.204 . . . . 4.21 109.594 -179.875 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.84 160.91 0.44 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 5.68 109.625 -179.788 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.79 -80.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.232 1.955 . . . . 5.57 110.386 -179.893 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.538 -1.425 . . . . 7.2 109.538 -179.973 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' C' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.588 -0.523 . . . . 8.96 109.588 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' C' ' 319' ' ' LYS . 1.9 ttpp 80.05 -25.71 0.17 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.426 -0.796 . . . . 8.15 110.847 179.858 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.32 85.91 0.17 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 120.743 -1.223 . . . . 7.15 109.735 179.978 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -67.55 -4.01 11.23 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.2 1.934 . . . . 4.35 110.525 179.82 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.489 HD22 ' N ' ' C' ' 323' ' ' LEU . 4.5 mm? -83.9 12.07 6.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.046 -1.034 . . . . 4.63 109.723 179.879 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' C' ' 324' ' ' ASP . 5.8 m-20 -78.1 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.306 -0.871 . . . . 2.85 109.327 -179.748 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.33 143.23 42.36 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.549 -1.42 . . . . 1.12 109.549 -179.867 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -60.38 144.53 50.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.441 -1.035 . . . . 2.11 109.705 -179.878 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -94.9 155.9 16.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.64 109.061 179.436 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 70.0 m-85 -138.46 -168.85 2.47 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.179 -0.95 . . . . 0.49 109.794 -179.782 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.493 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 16.5 p -155.08 158.15 38.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.47 109.367 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 329' ' ' THR . 9.9 tp -147.8 128.87 14.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.239 -0.913 . . . . 0.42 109.493 -179.975 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 0.5 OUTLIER -86.85 129.37 34.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 1.81 109.662 -179.859 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.535 HD13 ' CG ' ' C' ' 341' ' ' PHE . 43.5 mt -123.95 119.19 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -0.891 . . . . 0.42 109.344 179.72 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.48 149.72 42.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 2.35 109.55 179.995 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.12 135.64 6.05 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.692 -1.363 . . . . 0.41 109.692 179.853 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 tpt180 -80.26 -51.64 8.67 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -1.141 . . . . 2.59 109.531 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.5 -44.7 85.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 2.54 109.638 -179.705 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.707 HH12 HD22 ' A' ' 348' ' ' LEU . 9.0 tpp180 -63.14 -44.84 94.4 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.349 -0.844 . . . . 3.39 109.683 179.941 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 329' ' ' THR . 58.9 t80 -53.67 -49.9 66.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.322 -0.861 . . . . 0.47 109.404 -179.936 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' C' ' 335' ' ' ARG . 20.7 mt-10 -52.6 -39.85 62.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.409 -0.807 . . . . 1.66 109.897 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -62.17 -45.47 93.26 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.289 -0.882 . . . . 0.61 110.245 -179.294 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.535 ' CG ' HD13 ' C' ' 332' ' ' ILE . 29.1 m-85 -61.35 -53.43 56.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.155 -0.966 . . . . 0.33 109.272 -179.89 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.78 -38.94 51.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.42 -0.8 . . . . 3.28 109.767 -179.952 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.85 -44.9 96.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.233 -0.917 . . . . 1.78 109.879 -179.687 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.04 -44.84 95.83 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.38 109.541 -179.717 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.4 t30 -58.09 -43.68 87.2 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.255 -0.903 . . . . 1.2 109.697 -179.983 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.15 -39.02 93.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.28 -0.887 . . . . 2.12 109.901 -179.665 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.35 -49.64 76.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.184 -0.947 . . . . 0.26 109.973 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.663 HD22 HH12 ' A' ' 337' ' ' ARG . 44.4 mt -61.52 -43.85 98.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.304 -0.872 . . . . 0.4 109.567 -179.694 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -59.73 -36.32 76.35 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.269 -0.894 . . . . 2.09 109.698 -179.941 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.466 HD21 ' NE2' ' D' ' 354' ' ' GLN . 8.8 tp -64.74 -45.61 85.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.229 -0.919 . . . . 0.75 109.645 -179.785 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' C' ' 351' ' ' LYS . 0.6 OUTLIER -61.25 -41.6 97.17 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.35 -0.844 . . . . 2.19 109.122 179.932 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.21 -32.35 66.41 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.611 -0.681 . . . . 1.34 109.665 179.703 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -40.8 88.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.72 109.786 -179.678 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -81.22 -5.24 57.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 1.8 109.629 -179.849 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.54 -82.38 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.214 -0.929 . . . . 1.39 109.195 179.719 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 61.42 4.66 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.601 -1.399 . . . . 1.66 109.601 179.721 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 22.0 tttp -86.54 13.18 8.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.156 -1.202 . . . . 4.45 109.658 -179.885 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.87 160.78 0.45 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.177 -0.952 . . . . 6.19 109.668 -179.844 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.55 -81.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 122.332 2.021 . . . . 5.58 110.318 -179.895 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.464 -1.454 . . . . 6.9 109.464 -179.952 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' D' ' 320' ' ' LYS . 17.6 mttm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.563 -0.532 . . . . 7.36 109.563 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' D' ' 319' ' ' LYS . 1.9 ttpp 79.86 -25.6 0.18 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.474 -0.766 . . . . 7.15 110.892 179.813 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 11.3 mttt 58.33 85.97 0.17 Allowed Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 120.863 -1.148 . . . . 6.5 109.696 179.913 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -67.7 -3.9 11.17 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 122.256 1.971 . . . . 4.5 110.505 179.875 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.494 HD22 ' N ' ' D' ' 323' ' ' LEU . 4.5 mm? -83.95 12.0 6.9 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.071 -1.018 . . . . 4.32 109.734 179.867 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' D' ' 324' ' ' ASP . 5.9 m-20 -78.15 -130.42 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.284 -0.885 . . . . 2.46 109.338 -179.713 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.31 143.3 42.52 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.486 -1.445 . . . . 0.97 109.486 -179.765 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -60.53 144.52 51.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -1.026 . . . . 1.67 109.702 -179.869 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -94.89 155.97 16.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.197 -0.939 . . . . 0.61 109.104 179.48 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 70.3 m-85 -138.49 -168.95 2.49 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.126 -0.984 . . . . 0.56 109.802 -179.718 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 16.4 p -154.97 158.33 39.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.516 -0.74 . . . . 0.43 109.336 179.987 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.9 tp -147.89 128.77 14.38 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.35 109.438 -179.921 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -86.81 129.42 34.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 1.37 109.601 -179.885 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.533 HD13 ' CG ' ' D' ' 341' ' ' PHE . 43.7 mt -123.97 119.25 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.897 . . . . 0.48 109.32 179.694 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -73.56 149.75 41.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.265 -0.897 . . . . 2.08 109.52 179.993 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.09 135.63 6.03 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.688 -1.365 . . . . 0.4 109.688 179.879 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.514 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 tpt180 -80.27 -51.62 8.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -1.17 . . . . 2.64 109.511 179.953 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -57.51 -44.59 85.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.359 -0.838 . . . . 2.22 109.669 -179.676 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.651 HH12 HD22 ' B' ' 348' ' ' LEU . 9.0 tpp180 -63.36 -44.77 93.86 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.282 -0.886 . . . . 2.74 109.597 179.979 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' B' ' 329' ' ' THR . 59.2 t80 -53.64 -49.93 66.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.381 -0.824 . . . . 0.43 109.411 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 20.7 mt-10 -52.73 -39.74 62.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.269 -0.894 . . . . 1.69 109.854 -179.877 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -62.15 -45.46 93.33 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.204 -0.935 . . . . 0.43 110.242 -179.395 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.552 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 28.7 m-85 -61.51 -53.23 59.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.15 -0.969 . . . . 0.27 109.317 -179.881 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -50.85 -38.96 52.28 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.476 -0.765 . . . . 2.45 109.725 179.985 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.89 -44.79 96.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.18 -0.95 . . . . 1.75 109.956 -179.686 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.05 -44.85 95.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.171 -0.956 . . . . 0.31 109.527 -179.808 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.405 ' HB2' HD21 ' B' ' 330' ' ' LEU . 38.7 t30 -58.25 -43.58 87.9 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.276 -0.89 . . . . 1.22 109.649 -179.862 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.13 -39.01 93.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 1.73 109.91 -179.76 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.781 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.47 -49.62 76.84 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.229 -0.919 . . . . 0.28 109.899 -179.604 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.711 HD22 HH12 ' B' ' 337' ' ' ARG . 43.9 mt -61.45 -43.74 98.33 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.31 109.612 -179.706 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -59.95 -36.24 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.285 -0.884 . . . . 1.91 109.582 -179.856 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.63 -45.67 85.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.43 109.722 -179.888 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.404 -0.81 . . . . 1.57 109.096 -179.992 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -57.21 -32.39 66.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.478 -0.764 . . . . 1.44 109.632 179.71 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.66 88.31 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.317 -0.865 . . . . 0.64 109.845 -179.685 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.466 ' NE2' HD21 ' C' ' 350' ' ' LEU . 10.5 mt-30 -81.39 -5.09 57.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.156 -0.965 . . . . 1.21 109.608 -179.845 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.57 -82.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 1.22 109.186 179.616 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.12 61.37 4.67 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.567 -1.413 . . . . 1.5 109.567 179.786 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' D' ' 357' ' ' LYS . 22.1 tttp -86.52 13.24 8.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -1.146 . . . . 4.18 109.598 -179.929 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -48.93 160.83 0.45 Allowed Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.184 -0.947 . . . . 5.67 109.586 -179.801 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -62.6 -81.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.28 1.987 . . . . 5.65 110.389 -179.925 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.983 -1.454 . . . . 7.27 109.54 -179.948 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 65.8 mttt . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.243 0.544 . . . . 7.33 109.534 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.19 116.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.315 -0.865 . . . . 7.21 109.77 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.21 107.31 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.346 -0.846 . . . . 6.47 109.585 179.822 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.81 -82.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.904 1.736 . . . . 4.53 110.066 -179.992 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 33.2 mt -82.64 108.05 15.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.144 -0.973 . . . . 4.35 109.335 179.759 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.84 161.56 25.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.27 -0.894 . . . . 2.48 109.566 -179.876 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 327' ' ' TYR . . . -67.72 159.05 51.03 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.428 -1.469 . . . . 0.98 109.428 179.994 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -58.72 129.03 40.15 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.136 -1.214 . . . . 1.7 109.566 -179.896 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 325' ' ' GLY . 18.6 m-85 -93.79 156.61 16.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.277 -0.889 . . . . 0.61 109.379 179.921 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 73.4 m-85 -139.47 -172.79 3.44 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.239 -0.913 . . . . 0.58 109.463 179.802 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.449 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 2.4 p -153.22 160.99 42.89 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.21 -0.931 . . . . 0.42 109.476 -179.84 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' C' ' 345' ' ' ASN . 20.9 tp -147.75 126.82 12.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.334 -0.854 . . . . 0.36 109.507 -179.826 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -86.8 126.84 34.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 1.37 109.427 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 341' ' ' PHE . 42.8 mt -123.82 117.84 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 0.47 109.663 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.43 151.08 39.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.186 -0.946 . . . . 2.1 109.513 179.858 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.32 133.23 7.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.833 -1.307 . . . . 0.42 109.833 179.764 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.57 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 38.5 ttp180 -75.89 -60.09 2.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -1.08 . . . . 2.68 109.491 179.858 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 337' ' ' ARG . 24.2 pt-20 -59.01 -40.81 86.06 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.305 -0.872 . . . . 2.22 109.671 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.516 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.2 ttp180 -60.23 -47.95 83.79 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.291 -0.881 . . . . 2.77 109.543 -179.916 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' C' ' 329' ' ' THR . 48.8 t80 -55.49 -47.82 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.413 -0.804 . . . . 0.43 109.595 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.39 -37.01 46.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.332 -0.855 . . . . 1.66 109.976 -179.761 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 18.0 ttp -62.62 -46.99 85.69 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.134 -0.979 . . . . 0.44 109.907 -179.4 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 27.1 m-85 -61.22 -51.91 67.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.29 109.328 -179.974 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.53 -38.69 46.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.541 -0.725 . . . . 2.44 109.774 179.933 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.61 -49.85 75.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.034 -1.041 . . . . 1.74 109.736 -179.754 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.54 -33.52 73.97 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.169 -0.957 . . . . 0.3 108.948 179.855 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.825 ' HB2' HD21 ' C' ' 330' ' ' LEU . 15.6 t-20 -59.34 -53.63 56.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 1.22 109.632 179.815 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.428 ' HB3' ' HE3' ' B' ' 351' ' ' LYS . 0.9 OUTLIER -62.59 -34.29 76.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.432 -0.793 . . . . 1.72 109.892 -179.565 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.95 -48.82 80.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.277 -0.889 . . . . 0.27 110.075 -179.625 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' C' ' 341' ' ' PHE . 51.0 mt -61.61 -43.06 99.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.237 -0.914 . . . . 0.29 109.793 -179.536 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -59.86 -37.73 80.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.91 109.827 -179.885 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.458 HD21 ' NE2' ' B' ' 354' ' ' GLN . 9.1 tp -64.08 -44.93 90.89 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.41 109.775 -179.729 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -61.98 -40.31 95.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.371 -0.831 . . . . 1.56 109.182 -179.959 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.43 -33.18 65.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.587 -0.696 . . . . 1.43 109.633 179.885 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.73 64.49 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.66 109.544 -179.956 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' B' ' 350' ' ' LEU . 24.5 mt-30 -81.28 -2.23 48.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.285 -0.884 . . . . 1.18 109.635 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.24 -81.62 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.179 -0.951 . . . . 1.23 109.582 -179.915 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.79 95.12 0.08 OUTLIER Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.686 -1.366 . . . . 1.54 109.686 -179.84 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -87.22 111.42 20.99 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -1.13 . . . . 4.18 109.4 179.865 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.72 147.65 8.15 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.245 -0.909 . . . . 5.71 109.613 -179.953 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.95 145.79 96.65 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.124 1.883 . . . . 5.61 110.283 179.896 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.985 -1.453 . . . . 7.24 109.553 179.972 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.387 0.613 . . . . 7.34 109.422 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.04 116.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.2 -0.937 . . . . 7.17 109.717 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.2 107.23 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.44 -0.787 . . . . 6.44 109.566 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.57 -82.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 121.988 1.792 . . . . 4.54 110.11 179.922 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 33.3 mt -82.52 107.98 15.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 4.32 109.343 179.757 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.89 161.51 25.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 2.47 109.493 -179.858 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.446 ' O ' ' CD1' ' B' ' 327' ' ' TYR . . . -67.66 158.96 51.01 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.489 -1.444 . . . . 0.95 109.489 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.75 128.96 39.84 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.202 -1.175 . . . . 1.61 109.618 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' B' ' 325' ' ' GLY . 18.7 m-85 -93.66 156.72 16.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.293 -0.879 . . . . 0.57 109.404 179.922 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 73.4 m-85 -139.66 -172.83 3.47 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.276 -0.89 . . . . 0.53 109.359 179.928 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 2.4 p -153.24 160.98 42.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.14 -0.975 . . . . 0.38 109.502 -179.739 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' D' ' 345' ' ' ASN . 20.8 tp -147.82 126.83 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.223 -0.923 . . . . 0.36 109.503 -179.878 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 26.4 tt0 -86.81 126.91 34.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.312 -0.867 . . . . 1.36 109.405 179.952 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.532 HD13 ' CG ' ' B' ' 341' ' ' PHE . 42.6 mt -123.83 117.8 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.165 -0.959 . . . . 0.49 109.626 -179.984 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -74.42 151.12 39.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 2.1 109.457 179.88 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.28 133.14 7.19 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.774 -1.33 . . . . 0.44 109.774 179.666 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 38.6 ttp180 -75.86 -60.08 2.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -1.15 . . . . 2.72 109.501 179.899 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 337' ' ' ARG . 24.1 pt-20 -58.98 -40.75 85.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.357 -0.84 . . . . 2.21 109.614 179.968 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.2 ttp180 -60.36 -47.95 83.85 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.364 -0.835 . . . . 2.79 109.53 -179.86 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' D' ' 329' ' ' THR . 49.1 t80 -55.36 -47.89 75.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.421 -0.799 . . . . 0.45 109.662 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.35 -37.03 45.76 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.36 -0.837 . . . . 1.68 110.008 -179.772 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 18.1 ttp -62.63 -46.91 86.06 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.177 -0.952 . . . . 0.43 109.934 -179.392 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.556 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.91 66.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.28 109.326 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.59 -38.64 46.67 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.406 -0.809 . . . . 2.52 109.786 179.967 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.65 -49.79 76.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.14 -0.975 . . . . 1.75 109.806 -179.844 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.51 -33.55 74.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.19 -0.943 . . . . 0.31 108.979 179.762 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.784 ' HB2' HD21 ' D' ' 330' ' ' LEU . 15.5 t-20 -59.39 -53.58 56.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.579 -0.7 . . . . 1.21 109.627 179.782 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -34.23 76.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.34 -0.85 . . . . 1.69 109.878 -179.54 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.9 -48.88 79.88 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.188 -0.945 . . . . 0.27 110.052 -179.639 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' D' ' 341' ' ' PHE . 50.6 mt -61.51 -43.23 99.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.223 -0.923 . . . . 0.3 109.746 -179.534 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.81 -37.78 80.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.194 -0.941 . . . . 1.93 109.828 -179.836 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.499 HD21 ' NE2' ' A' ' 354' ' ' GLN . 9.0 tp -64.05 -44.97 90.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.899 . . . . 0.4 109.809 -179.787 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.428 ' HE3' ' HB3' ' A' ' 346' ' ' GLU . 13.6 ttmm -61.89 -40.39 95.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.274 -0.891 . . . . 1.59 109.181 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.38 -33.2 65.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.399 -0.813 . . . . 1.43 109.575 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.78 64.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.383 -0.823 . . . . 0.65 109.437 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.458 ' NE2' HD21 ' A' ' 350' ' ' LEU . 24.3 mt-30 -81.23 -2.29 48.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.318 -0.864 . . . . 1.19 109.675 -179.909 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.12 -81.66 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.22 -0.925 . . . . 1.22 109.631 -179.948 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.81 95.17 0.08 OUTLIER Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.686 -1.366 . . . . 1.53 109.686 -179.838 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -87.33 111.52 21.15 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -1.132 . . . . 4.21 109.332 179.901 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.82 147.67 8.32 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.203 -0.936 . . . . 5.68 109.537 -179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.84 145.74 96.92 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.141 1.894 . . . . 5.57 110.227 179.822 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 117.964 -1.465 . . . . 7.2 109.541 179.878 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.314 0.578 . . . . 8.96 109.51 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.1 116.17 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 8.15 109.744 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.33 107.23 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 7.15 109.563 179.758 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.71 -82.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 121.905 1.737 . . . . 4.35 110.136 179.916 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 33.5 mt -82.51 108.04 15.61 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.114 -0.991 . . . . 4.63 109.316 179.729 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.82 161.6 25.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.352 -0.842 . . . . 2.85 109.491 -179.877 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' C' ' 327' ' ' TYR . . . -67.75 159.04 51.09 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.325 -1.51 . . . . 1.12 109.325 -179.995 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -58.77 129.03 40.17 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.203 -1.175 . . . . 2.11 109.552 -179.915 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' C' ' 325' ' ' GLY . 18.5 m-85 -93.8 156.7 16.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.296 -0.878 . . . . 0.64 109.366 179.903 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 73.1 m-85 -139.58 -172.85 3.46 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.179 -0.951 . . . . 0.49 109.415 179.938 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 2.4 p -153.29 160.92 42.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.178 -0.951 . . . . 0.47 109.481 -179.832 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.825 HD21 ' HB2' ' A' ' 345' ' ' ASN . 20.8 tp -147.71 126.81 12.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.27 -0.894 . . . . 0.42 109.514 -179.847 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -86.7 126.73 34.75 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.331 -0.856 . . . . 1.81 109.503 179.888 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.531 HD13 ' CG ' ' C' ' 341' ' ' PHE . 42.1 mt -123.71 117.92 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.42 109.693 179.961 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.48 151.08 39.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.374 -0.828 . . . . 2.35 109.531 179.856 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.38 133.24 7.26 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.825 -1.31 . . . . 0.41 109.825 179.723 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.538 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 38.5 ttp180 -75.94 -60.03 2.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.324 -1.103 . . . . 2.59 109.511 179.856 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' C' ' 337' ' ' ARG . 24.1 pt-20 -59.09 -40.68 86.01 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 2.54 109.655 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.2 ttp180 -60.35 -47.94 83.91 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.247 -0.908 . . . . 3.39 109.465 -179.89 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 329' ' ' THR . 49.0 t80 -55.46 -47.83 75.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.47 109.601 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -51.39 -37.04 46.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.341 -0.85 . . . . 1.66 109.996 -179.762 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.67 -46.78 86.58 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.17 -0.956 . . . . 0.61 110.014 -179.38 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 27.4 m-85 -61.35 -51.8 67.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.205 -0.934 . . . . 0.33 109.378 179.983 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -50.63 -38.54 46.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.437 -0.789 . . . . 3.28 109.742 179.951 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.8 -49.83 76.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.214 -0.929 . . . . 1.78 109.677 -179.728 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.49 -33.57 74.01 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.977 . . . . 0.38 108.93 179.827 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.792 ' HB2' HD21 ' A' ' 330' ' ' LEU . 15.6 t-20 -59.21 -53.7 55.34 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.404 -0.81 . . . . 1.2 109.738 179.678 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -34.24 76.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.465 -0.772 . . . . 2.12 109.873 -179.539 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.94 -48.89 79.84 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.235 -0.916 . . . . 0.26 110.063 -179.612 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 341' ' ' PHE . 51.3 mt -61.48 -43.25 99.2 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -0.903 . . . . 0.4 109.785 -179.594 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -59.82 -37.67 79.83 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.263 -0.898 . . . . 2.09 109.81 -179.814 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.544 HD21 ' NE2' ' D' ' 354' ' ' GLN . 9.0 tp -64.16 -44.98 90.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.197 -0.939 . . . . 0.75 109.725 -179.737 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.443 ' HE3' ' HB3' ' D' ' 346' ' ' GLU . 13.6 ttmm -61.8 -40.48 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.385 -0.822 . . . . 2.19 109.241 179.978 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.29 -33.25 65.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.393 -0.817 . . . . 1.34 109.68 179.809 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.77 64.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.243 -0.911 . . . . 0.72 109.477 -179.907 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -81.25 -2.2 47.92 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.368 -0.832 . . . . 1.8 109.697 -179.972 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.14 -0.975 . . . . 1.39 109.63 -179.932 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.82 95.03 0.08 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.751 -1.34 . . . . 1.66 109.751 -179.906 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -87.11 111.47 20.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.277 -1.131 . . . . 4.45 109.411 179.863 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.79 147.71 8.22 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 6.19 109.542 -179.957 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.99 145.74 96.59 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.174 1.916 . . . . 5.58 110.193 179.889 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.908 -1.496 . . . . 6.9 109.54 179.982 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 66.0 mttt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.259 0.552 . . . . 7.36 109.521 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.28 116.14 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.243 -0.91 . . . . 7.15 109.675 179.801 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 8.0 mptt 60.22 107.25 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.268 -0.895 . . . . 6.5 109.632 179.78 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.72 -82.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 121.91 1.74 . . . . 4.5 110.196 179.998 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 33.6 mt -82.61 108.03 15.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.215 -0.928 . . . . 4.32 109.333 179.66 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.86 161.48 25.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.253 -0.904 . . . . 2.46 109.557 -179.903 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.449 ' O ' ' CD1' ' D' ' 327' ' ' TYR . . . -67.68 159.13 50.91 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.43 -1.468 . . . . 0.97 109.43 -179.947 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -58.85 129.04 40.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.187 -1.184 . . . . 1.67 109.525 -179.833 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.449 ' CD1' ' O ' ' D' ' 325' ' ' GLY . 18.2 m-85 -93.8 156.63 16.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.61 109.423 179.916 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.528 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 73.2 m-85 -139.53 -172.8 3.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.264 -0.897 . . . . 0.56 109.346 179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 2.5 p -153.29 160.97 42.83 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.311 -0.868 . . . . 0.43 109.428 -179.75 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' B' ' 345' ' ' ASN . 20.9 tp -147.8 126.75 12.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.283 -0.886 . . . . 0.35 109.533 -179.871 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -86.78 126.85 34.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.414 -0.804 . . . . 1.37 109.395 179.93 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' D' ' 341' ' ' PHE . 42.9 mt -123.75 117.77 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.133 -0.979 . . . . 0.48 109.684 179.935 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -74.36 151.05 39.8 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.42 -0.8 . . . . 2.08 109.547 179.805 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.45 133.27 7.29 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.772 -1.331 . . . . 0.4 109.772 179.695 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 38.7 ttp180 -75.94 -60.11 2.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -1.15 . . . . 2.64 109.479 179.866 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' D' ' 337' ' ' ARG . 24.1 pt-20 -59.07 -40.73 86.08 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 2.22 109.602 -179.925 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.2 ttp180 -60.31 -48.04 83.46 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.283 -0.885 . . . . 2.74 109.456 -179.924 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.468 ' CE1' ' O ' ' B' ' 329' ' ' THR . 49.2 t80 -55.31 -47.91 74.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.375 -0.828 . . . . 0.43 109.634 179.97 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.34 -37.09 46.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.326 -0.858 . . . . 1.69 110.04 -179.793 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 17.9 ttp -62.49 -47.03 85.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.14 -0.975 . . . . 0.43 109.997 -179.467 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 27.4 m-85 -61.25 -51.9 67.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.197 -0.939 . . . . 0.27 109.333 -179.956 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -50.5 -38.63 45.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.523 -0.736 . . . . 2.45 109.757 179.94 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -58.77 -49.78 76.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -0.912 . . . . 1.75 109.723 -179.692 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.39 -33.61 73.97 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.17 -0.956 . . . . 0.31 108.976 179.749 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.804 ' HB2' HD21 ' B' ' 330' ' ' LEU . 15.6 t-20 -59.35 -53.6 56.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.391 -0.818 . . . . 1.22 109.712 179.793 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.443 ' HB3' ' HE3' ' C' ' 351' ' ' LYS . 0.9 OUTLIER -62.53 -34.39 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.365 -0.835 . . . . 1.73 109.942 -179.612 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.819 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.88 -48.9 79.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.265 -0.897 . . . . 0.28 110.056 -179.593 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.556 HD12 ' CZ ' ' B' ' 341' ' ' PHE . 50.5 mt -61.45 -43.29 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.31 109.785 -179.604 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -59.82 -37.66 79.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.894 . . . . 1.91 109.82 -179.85 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' C' ' 351' ' ' LYS . 9.1 tp -64.17 -44.98 90.4 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.299 -0.876 . . . . 0.43 109.76 -179.759 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -61.86 -40.42 95.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.321 -0.862 . . . . 1.57 109.214 179.987 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.26 -33.28 65.32 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.521 -0.737 . . . . 1.44 109.694 179.777 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.85 64.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.64 109.512 -179.952 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.544 ' NE2' HD21 ' C' ' 350' ' ' LEU . 24.5 mt-30 -81.25 -2.15 47.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.347 -0.846 . . . . 1.21 109.748 -179.949 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.31 -81.53 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.159 -0.963 . . . . 1.22 109.615 -179.975 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -60.85 95.16 0.08 OUTLIER Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.686 -1.366 . . . . 1.5 109.686 -179.858 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -87.24 111.47 21.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -1.165 . . . . 4.18 109.392 179.859 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.83 147.69 8.33 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.186 -0.946 . . . . 5.67 109.49 -179.875 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.9 145.76 96.78 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.131 1.887 . . . . 5.65 110.297 179.841 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 117.99 -1.45 . . . . 7.27 109.606 -179.97 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.453 -0.573 . . . . 7.33 109.453 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.569 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 0.1 OUTLIER 56.74 109.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 7.21 109.095 -179.738 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.99 75.67 0.64 Allowed Pre-proline 0 N--CA 1.489 1.505 0 O-C-N 121.047 -1.033 . . . . 6.47 109.323 -179.556 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.25 -80.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.056 1.837 . . . . 4.53 110.157 -179.674 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 30.4 mt -82.18 115.64 21.37 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 4.35 109.514 179.778 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.17 -118.24 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.21 -0.931 . . . . 2.48 109.117 179.945 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.16 156.71 52.85 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.215 -1.554 . . . . 0.98 109.215 179.837 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.86 140.77 51.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.237 -1.155 . . . . 1.7 109.421 -179.679 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.02 152.91 19.02 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 0.61 109.488 -179.893 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.584 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 91.4 m-85 -137.69 -168.44 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.232 -0.918 . . . . 0.58 109.493 -179.964 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 5.5 p -153.36 158.94 42.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.198 -0.939 . . . . 0.42 109.464 -179.919 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' C' ' 345' ' ' ASN . 16.1 tp -148.06 131.43 16.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.289 -0.882 . . . . 0.36 109.389 -179.752 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 22.9 tt0 -86.26 131.24 34.27 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.178 -0.951 . . . . 1.37 109.504 -179.943 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 338' ' ' PHE . 35.5 mt -123.76 118.76 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.129 -0.982 . . . . 0.47 109.342 179.728 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.94 147.94 44.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.227 -0.92 . . . . 2.1 109.467 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.55 138.27 9.58 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.67 -1.372 . . . . 0.42 109.67 179.956 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 29.7 ttt180 -82.83 -59.22 2.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -1.133 . . . . 2.68 109.61 179.907 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.4 82.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.282 -0.886 . . . . 2.22 109.481 179.894 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.856 HH12 HD22 ' C' ' 348' ' ' LEU . 6.9 tpp180 -62.31 -44.59 96.16 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.356 -0.84 . . . . 2.77 109.243 179.82 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 332' ' ' ILE . 64.9 t80 -55.27 -48.69 73.66 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.327 -0.858 . . . . 0.43 109.502 -179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.55 -38.1 52.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.352 -0.843 . . . . 1.66 109.97 -179.593 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.64 87.63 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.209 -0.932 . . . . 0.44 110.063 -179.173 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.522 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 20.4 m-85 -60.86 -48.17 83.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.119 -0.988 . . . . 0.29 109.278 179.885 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.88 -43.38 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.434 -0.791 . . . . 2.44 109.662 179.879 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.28 -40.74 91.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.9 . . . . 1.74 110.044 -179.467 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' B' ' 344' ' ' LEU . 38.2 mt -62.99 -45.56 91.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.3 109.542 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.503 ' HB2' HD21 ' C' ' 330' ' ' LEU . 58.4 t30 -58.31 -46.38 86.26 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.276 -0.89 . . . . 1.22 109.838 -179.853 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -37.21 84.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 1.72 109.876 -179.673 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.29 -49.72 76.47 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.25 -0.906 . . . . 0.27 110.006 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.846 HD22 HH12 ' C' ' 337' ' ' ARG . 56.4 mt -61.08 -44.12 97.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.29 109.751 -179.571 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.02 -37.43 76.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 1.91 109.642 -179.971 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.784 HD11 HE21 ' B' ' 354' ' ' GLN . 11.7 tp -64.65 -40.44 95.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.315 -0.866 . . . . 0.41 109.651 -179.916 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -46.99 85.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.374 -0.829 . . . . 1.56 109.448 -179.897 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.45 -32.83 65.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.489 -0.757 . . . . 1.43 110.029 -179.792 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.11 84.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.66 109.708 -179.526 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.793 HE21 HD11 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -82.27 -3.97 56.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.274 -0.891 . . . . 1.18 109.847 -179.809 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.52 62.04 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.089 -1.007 . . . . 1.23 109.548 -179.87 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.73 4.84 85.26 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.694 -1.362 . . . . 1.54 109.694 179.746 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -85.61 -106.62 0.05 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.065 -1.256 . . . . 4.18 109.634 -179.489 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . 0.554 ' CB ' ' HD3' ' A' ' 359' ' ' PRO . 0.1 OUTLIER -51.89 -57.74 13.77 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 120.9 -1.125 . . . . 5.71 109.879 -179.735 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.554 ' HD3' ' CB ' ' A' ' 358' ' ' GLU . 4.2 Cg_exo -59.31 130.46 36.07 Favored 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 121.773 1.649 . . . . 5.61 110.362 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.438 -1.465 . . . . 7.24 109.438 -179.951 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' B' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.468 -0.567 . . . . 7.34 109.468 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.567 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 0.1 OUTLIER 56.92 108.99 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.365 -0.834 . . . . 7.17 109.104 -179.773 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.08 75.73 0.63 Allowed Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 120.997 -1.064 . . . . 6.44 109.196 -179.594 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.14 -81.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.176 1.917 . . . . 4.54 110.083 -179.732 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.18 115.66 21.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 4.32 109.475 179.878 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.3 -118.64 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.103 -0.998 . . . . 2.47 109.093 179.934 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.52 156.74 52.28 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.293 -1.523 . . . . 0.95 109.293 179.759 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.78 140.72 50.98 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.168 -1.195 . . . . 1.61 109.488 -179.917 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -93.1 153.02 18.92 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.57 109.506 -179.902 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.0 m-85 -137.7 -168.38 2.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.53 109.484 -179.968 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.443 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 5.3 p -153.44 158.9 42.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.263 -0.898 . . . . 0.38 109.459 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' D' ' 345' ' ' ASN . 16.0 tp -147.97 131.54 16.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.36 109.351 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 22.9 tt0 -86.35 131.17 34.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.327 -0.858 . . . . 1.36 109.517 -179.989 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.5 HD12 ' CD1' ' B' ' 338' ' ' PHE . 36.8 mt -123.77 118.88 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.49 109.269 179.737 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.98 147.94 44.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.253 -0.904 . . . . 2.1 109.484 179.9 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.57 138.14 9.52 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.621 -1.392 . . . . 0.44 109.621 179.988 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 29.8 ttt180 -82.77 -59.18 2.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.188 -1.184 . . . . 2.72 109.525 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.27 -39.16 82.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.374 -0.829 . . . . 2.21 109.435 179.989 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.87 HH12 HD22 ' D' ' 348' ' ' LEU . 6.8 tpp180 -62.51 -44.49 96.24 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.376 -0.828 . . . . 2.79 109.19 179.835 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CD1' HD12 ' B' ' 332' ' ' ILE . 64.7 t80 -55.29 -48.77 73.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.384 -0.823 . . . . 0.45 109.473 179.996 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.14 52.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.828 . . . . 1.68 110.045 -179.648 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 23.3 ttp -62.43 -46.66 87.56 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.212 -0.93 . . . . 0.43 110.092 -179.207 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.5 ' HB2' HD13 ' B' ' 332' ' ' ILE . 20.2 m-85 -60.87 -48.17 83.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.28 109.245 179.94 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -50.86 -43.32 59.39 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.411 -0.806 . . . . 2.52 109.736 179.874 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.35 -40.83 92.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 1.75 109.964 -179.477 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.863 HD22 HD22 ' A' ' 344' ' ' LEU . 38.3 mt -62.93 -45.5 92.19 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.141 -0.974 . . . . 0.31 109.601 -179.765 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.501 ' HB2' HD21 ' D' ' 330' ' ' LEU . 58.6 t30 -58.38 -46.53 86.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.274 -0.891 . . . . 1.21 109.729 -179.878 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -37.19 84.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 1.69 109.876 -179.624 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.777 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.42 -49.61 76.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.323 -0.861 . . . . 0.27 110.002 -179.646 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.899 HD22 HH12 ' D' ' 337' ' ' ARG . 57.3 mt -61.05 -44.21 97.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.3 109.78 -179.608 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -59.03 -37.33 76.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.88 . . . . 1.93 109.609 -179.926 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.793 HD11 HE21 ' A' ' 354' ' ' GLN . 11.7 tp -64.72 -40.45 95.36 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.233 -0.917 . . . . 0.4 109.577 -179.875 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . 0.9 OUTLIER -62.85 -46.93 85.59 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.414 -0.803 . . . . 1.59 109.439 -179.905 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.53 -32.78 65.44 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.488 -0.757 . . . . 1.43 110.045 -179.784 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.23 84.16 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.216 -0.927 . . . . 0.65 109.699 -179.629 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.784 HE21 HD11 ' A' ' 350' ' ' LEU . 0.4 OUTLIER -82.26 -3.97 56.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.235 -0.916 . . . . 1.19 109.887 -179.778 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.87 -13.62 62.1 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.033 -1.042 . . . . 1.22 109.481 -179.935 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.71 4.83 85.26 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.708 -1.357 . . . . 1.53 109.708 179.814 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.54 -106.55 0.05 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.191 -1.182 . . . . 4.21 109.77 -179.616 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.557 ' CB ' ' HD3' ' B' ' 359' ' ' PRO . 0.1 OUTLIER -51.98 -57.67 14.1 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.918 -1.114 . . . . 5.68 109.85 -179.764 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.557 ' HD3' ' CB ' ' B' ' 358' ' ' GLU . 4.1 Cg_exo -59.38 130.47 35.95 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 121.804 1.67 . . . . 5.57 110.316 -179.771 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 CA-C-O 117.872 -1.515 . . . . 7.2 109.672 -179.93 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.422 -0.584 . . . . 8.96 109.422 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.561 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 0.1 OUTLIER 56.93 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 8.15 109.118 -179.751 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 49.02 75.67 0.64 Allowed Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.975 -1.078 . . . . 7.15 109.308 -179.508 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.12 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.05 1.834 . . . . 4.35 110.168 -179.767 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 30.9 mt -82.17 115.71 21.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.273 -0.892 . . . . 4.63 109.487 179.855 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.29 -118.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.237 -0.915 . . . . 2.85 109.125 179.891 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.86 156.87 52.55 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.274 -1.53 . . . . 1.12 109.274 179.797 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -57.89 140.83 51.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -1.137 . . . . 2.11 109.426 -179.801 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.16 152.92 18.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.64 109.45 -179.862 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.9 m-85 -137.73 -168.48 2.34 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.278 -0.889 . . . . 0.49 109.433 -179.923 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.457 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 5.5 p -153.28 158.98 42.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.29 -0.881 . . . . 0.47 109.427 -179.879 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.503 HD21 ' HB2' ' A' ' 345' ' ' ASN . 16.1 tp -148.04 131.34 16.53 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.42 109.359 -179.763 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 22.9 tt0 -86.24 131.19 34.29 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.292 -0.88 . . . . 1.81 109.537 179.976 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.508 HD12 ' CD1' ' C' ' 338' ' ' PHE . 35.2 mt -123.63 118.73 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.278 -0.889 . . . . 0.42 109.342 179.759 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.93 147.94 44.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.325 -0.86 . . . . 2.35 109.459 179.995 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.54 138.22 9.56 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.615 -1.394 . . . . 0.41 109.615 179.907 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.584 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 29.8 ttt180 -82.82 -59.16 2.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -1.133 . . . . 2.59 109.62 179.951 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.11 -39.51 82.48 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.372 -0.83 . . . . 2.54 109.407 179.925 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.846 HH12 HD22 ' A' ' 348' ' ' LEU . 6.9 tpp180 -62.2 -44.58 96.25 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.335 -0.853 . . . . 3.39 109.267 179.823 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.508 ' CD1' HD12 ' C' ' 332' ' ' ILE . 64.9 t80 -55.37 -48.63 73.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.311 -0.868 . . . . 0.47 109.517 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.61 -38.11 53.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.333 -0.854 . . . . 1.66 109.903 -179.59 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.4 -46.68 87.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.23 -0.919 . . . . 0.61 110.074 -179.183 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.525 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 20.2 m-85 -60.81 -48.23 82.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.12 -0.988 . . . . 0.33 109.296 179.888 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.91 -43.19 59.87 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.49 -0.756 . . . . 3.28 109.757 179.901 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -60.47 -40.74 92.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 1.78 109.971 -179.527 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' D' ' 344' ' ' LEU . 38.0 mt -62.94 -45.57 91.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.039 -1.038 . . . . 0.38 109.576 -179.758 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.508 ' HB2' HD21 ' A' ' 330' ' ' LEU . 58.5 t30 -58.25 -46.52 85.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.279 -0.888 . . . . 1.2 109.833 -179.92 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.01 -37.27 84.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.269 -0.895 . . . . 2.12 109.866 -179.641 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.33 -49.7 76.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.871 . . . . 0.26 109.925 -179.564 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.856 HD22 HH12 ' A' ' 337' ' ' ARG . 56.5 mt -61.08 -44.17 97.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.4 109.689 -179.516 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -59.0 -37.45 76.9 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 2.09 109.636 -179.884 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.621 HD11 HE21 ' D' ' 354' ' ' GLN . 11.7 tp -64.61 -40.53 95.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.251 -0.905 . . . . 0.75 109.59 -179.885 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -46.85 86.05 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.337 -0.852 . . . . 2.19 109.485 -179.931 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.58 -32.76 65.53 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.604 -0.685 . . . . 1.34 110.087 -179.785 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.07 83.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.269 -0.895 . . . . 0.72 109.742 -179.601 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.761 HE21 HD11 ' D' ' 350' ' ' LEU . 0.4 OUTLIER -82.19 -4.06 56.25 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.237 -0.914 . . . . 1.8 109.875 -179.884 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.88 -13.58 62.08 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.039 -1.038 . . . . 1.39 109.503 -179.843 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.74 4.85 85.25 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.739 -1.344 . . . . 1.66 109.739 179.779 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -85.5 -106.66 0.05 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.044 -1.268 . . . . 4.45 109.754 -179.595 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.561 ' CB ' ' HD3' ' C' ' 359' ' ' PRO . 0.1 OUTLIER -51.91 -57.67 14.06 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.876 -1.14 . . . . 6.19 109.967 -179.885 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.561 ' HD3' ' CB ' ' C' ' 358' ' ' GLU . 4.1 Cg_exo -59.27 130.46 36.13 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 121.875 1.716 . . . . 5.58 110.297 -179.866 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 118.023 -1.432 . . . . 6.9 109.577 179.984 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' D' ' 320' ' ' LYS . 9.6 tttm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.47 -0.567 . . . . 7.36 109.47 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.569 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 0.1 OUTLIER 56.87 109.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.356 -0.84 . . . . 7.15 109.046 -179.711 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.97 75.68 0.64 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.952 -1.093 . . . . 6.5 109.345 -179.524 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.24 -81.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.071 1.847 . . . . 4.5 110.099 -179.708 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 30.7 mt -82.21 115.64 21.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.174 -0.954 . . . . 4.32 109.435 179.86 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.28 -118.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 2.46 109.101 179.9 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.94 156.78 52.64 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.254 -1.539 . . . . 0.97 109.254 179.864 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -57.85 140.8 51.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.21 -1.17 . . . . 1.67 109.472 -179.801 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -93.05 152.92 19.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.87 . . . . 0.61 109.5 -179.96 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.7 m-85 -137.63 -168.37 2.31 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.241 -0.912 . . . . 0.56 109.458 -179.95 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.459 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 5.5 p -153.45 158.76 41.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.43 109.454 -179.851 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' B' ' 345' ' ' ASN . 16.1 tp -147.88 131.6 16.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.284 -0.885 . . . . 0.35 109.406 -179.775 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 22.9 tt0 -86.46 131.24 34.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 1.37 109.432 -179.974 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' D' ' 338' ' ' PHE . 36.2 mt -123.83 118.82 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -0.912 . . . . 0.48 109.256 179.77 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 147.84 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -0.907 . . . . 2.08 109.445 179.97 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.61 138.14 9.53 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.674 -1.37 . . . . 0.4 109.674 179.948 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.556 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 29.8 ttt180 -82.8 -59.19 2.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -1.148 . . . . 2.64 109.529 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.08 -39.34 81.88 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.382 -0.824 . . . . 2.22 109.478 179.905 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.899 HH12 HD22 ' B' ' 348' ' ' LEU . 7.0 tpp180 -62.46 -44.52 96.2 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.454 -0.778 . . . . 2.74 109.216 179.842 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' D' ' 332' ' ' ILE . 64.8 t80 -55.35 -48.74 73.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.43 109.456 -179.986 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -51.44 -38.16 52.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 1.69 109.94 -179.594 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 23.5 ttp -62.56 -46.52 87.94 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.205 -0.934 . . . . 0.43 110.066 -179.159 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 20.0 m-85 -60.93 -48.18 83.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.135 -0.978 . . . . 0.27 109.21 179.85 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -50.9 -43.41 59.83 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.543 -0.723 . . . . 2.45 109.62 179.922 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -60.23 -40.85 91.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.244 -0.91 . . . . 1.75 109.97 -179.464 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.885 HD22 HD22 ' C' ' 344' ' ' LEU . 38.4 mt -62.95 -45.58 91.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.31 109.574 -179.755 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.522 ' HB2' HD21 ' B' ' 330' ' ' LEU . 58.7 t30 -58.26 -46.56 85.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 1.22 109.756 -179.849 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.02 -37.2 83.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 1.73 109.861 -179.586 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.803 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.31 -49.77 76.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.908 . . . . 0.28 109.925 -179.628 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.87 HD22 HH12 ' B' ' 337' ' ' ARG . 57.3 mt -61.12 -44.06 97.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.31 109.68 -179.533 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -59.11 -37.39 77.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.276 -0.89 . . . . 1.91 109.556 -179.879 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.761 HD11 HE21 ' C' ' 354' ' ' GLN . 11.8 tp -64.69 -40.44 95.39 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.287 -0.883 . . . . 0.43 109.62 -179.803 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.43 ' HD3' HD22 ' C' ' 350' ' ' LEU . 0.9 OUTLIER -62.83 -46.84 86.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 1.57 109.44 -179.934 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.65 -32.8 65.72 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.56 -0.713 . . . . 1.44 109.934 -179.678 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.21 84.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.64 109.759 -179.608 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.621 HE21 HD11 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -82.21 -3.96 56.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.271 -0.893 . . . . 1.21 109.893 -179.852 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.91 -13.63 62.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 1.22 109.497 -179.857 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.58 4.79 85.23 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.842 -1.303 . . . . 1.5 109.842 179.713 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -85.54 -106.67 0.05 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.15 -1.206 . . . . 4.18 109.706 -179.538 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.561 ' CB ' ' HD3' ' D' ' 359' ' ' PRO . 0.1 OUTLIER -51.93 -57.63 14.19 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 120.868 -1.145 . . . . 5.67 109.974 -179.849 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.561 ' HD3' ' CB ' ' D' ' 358' ' ' GLU . 4.3 Cg_exo -59.4 130.53 36.2 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.804 1.67 . . . . 5.65 110.263 -179.799 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 117.917 -1.491 . . . . 7.27 109.6 179.981 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.523 -0.547 . . . . 7.33 109.523 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 18.1 mttt 58.53 -103.58 0.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 7.21 109.544 -179.928 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.35 80.35 0.3 Allowed Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 120.933 -1.105 . . . . 6.47 109.415 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.16 84.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.3 2.0 . . . . 4.53 110.626 -179.786 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.25 47.59 1.44 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.304 -0.872 . . . . 4.35 109.545 179.589 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.44 ' HB3' ' HD2' ' C' ' 333' ' ' ARG . 3.9 m-20 -78.74 -159.35 0.17 Allowed 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.385 -0.822 . . . . 2.48 109.791 -179.594 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 173.32 33.03 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.645 -1.382 . . . . 0.98 109.645 -179.642 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.95 138.26 57.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -1.146 . . . . 1.7 109.543 -179.927 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.05 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.238 -0.914 . . . . 0.61 109.447 179.871 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 82.0 m-85 -139.66 -171.44 3.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.58 109.474 -179.871 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.464 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 20.3 p -152.62 160.95 43.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.206 -0.934 . . . . 0.42 109.625 -179.799 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' C' ' 329' ' ' THR . 12.5 tp -148.52 128.57 13.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.277 -0.889 . . . . 0.36 109.618 -179.944 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 38.6 tt0 -86.92 126.57 34.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.37 109.473 179.997 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.456 HD13 ' HB2' ' A' ' 341' ' ' PHE . 49.3 mt -123.87 117.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.47 109.481 179.838 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.439 ' HD2' ' HB3' ' C' ' 324' ' ' ASP . 0.2 OUTLIER -73.75 149.5 41.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 2.1 109.486 179.908 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.56 134.23 7.71 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.734 -1.346 . . . . 0.42 109.734 179.754 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.577 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 7.3 ttp180 -78.69 -57.35 3.81 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -1.134 . . . . 2.68 109.583 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.89 -44.44 91.17 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.341 -0.85 . . . . 2.22 109.543 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.496 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 1.0 OUTLIER -60.88 -46.14 91.8 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.358 -0.839 . . . . 2.77 109.639 -179.742 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.508 ' CE1' ' O ' ' C' ' 329' ' ' THR . 40.2 t80 -54.93 -54.92 36.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.399 -0.813 . . . . 0.43 109.692 -179.837 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -50.29 -36.38 31.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.277 -0.89 . . . . 1.66 109.963 -179.628 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 16.2 ttp -62.72 -47.25 84.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.117 -0.989 . . . . 0.44 109.954 -179.452 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.69 ' HZ ' HD12 ' C' ' 348' ' ' LEU . 21.9 m-85 -61.32 -53.03 61.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.243 -0.91 . . . . 0.29 109.267 179.942 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.448 ' CG ' HH11 ' A' ' 342' ' ' ARG . 0.1 OUTLIER -50.88 -36.33 37.47 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.31 -0.869 . . . . 2.44 109.56 179.954 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.97 -45.15 95.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 1.74 109.898 -179.837 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' B' ' 344' ' ' LEU . 26.8 mt -61.83 -43.68 98.37 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.299 -0.876 . . . . 0.3 109.569 -179.775 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.464 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 47.5 t30 -57.88 -44.43 86.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.293 -0.879 . . . . 1.22 109.569 179.86 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.25 91.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.365 -0.835 . . . . 1.72 109.663 -179.825 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.04 -46.36 88.43 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.27 109.934 -179.69 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.714 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 19.5 mt -61.5 -45.15 95.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.248 -0.908 . . . . 0.29 109.777 -179.765 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.56 -36.76 76.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.294 -0.879 . . . . 1.91 109.737 -179.904 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' B' ' 350' ' ' LEU . 19.6 tp -63.69 -43.1 97.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.263 -0.898 . . . . 0.41 109.497 -179.91 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.8 -50.09 73.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.355 -0.841 . . . . 1.56 108.743 179.644 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.9 -28.36 64.14 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.647 -0.658 . . . . 1.43 109.483 179.533 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.66 85.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.458 -0.776 . . . . 0.66 109.789 -179.463 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -83.08 -14.56 53.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.198 -0.939 . . . . 1.18 109.513 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.71 -46.5 45.74 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.302 -0.874 . . . . 1.23 109.622 179.864 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.58 12.01 53.72 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.063 -1.215 . . . . 1.54 110.063 -179.484 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.82 117.83 24.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.172 -1.193 . . . . 4.18 109.401 179.997 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -50.09 165.72 0.31 Allowed Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.192 -0.943 . . . . 5.71 109.688 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -60.94 146.07 98.19 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.17 1.913 . . . . 5.61 110.374 179.975 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 CA-C-O 118.008 -1.44 . . . . 7.24 109.538 179.957 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 7.34 109.434 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 18.1 mttt 58.45 -103.66 0.18 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.878 . . . . 7.17 109.543 179.999 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.55 80.2 0.31 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 120.936 -1.103 . . . . 6.44 109.436 179.978 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.06 84.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.379 2.052 . . . . 4.54 110.711 -179.816 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.15 47.63 1.44 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.27 -0.893 . . . . 4.32 109.575 179.646 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.86 -159.49 0.18 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.473 -0.767 . . . . 2.47 109.821 -179.558 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.96 173.33 31.55 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.703 -1.359 . . . . 0.95 109.703 -179.745 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 138.35 57.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -1.119 . . . . 1.61 109.547 -179.974 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.06 159.19 15.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.182 -0.949 . . . . 0.57 109.499 179.89 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 82.4 m-85 -139.67 -171.49 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.247 -0.908 . . . . 0.53 109.571 -179.894 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.485 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 20.0 p -152.58 161.04 43.12 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.137 -0.977 . . . . 0.38 109.564 -179.787 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' D' ' 329' ' ' THR . 12.4 tp -148.63 128.55 13.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.36 109.468 -179.833 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 38.7 tt0 -86.93 126.52 34.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.219 -0.926 . . . . 1.36 109.521 179.954 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 341' ' ' PHE . 50.0 mt -123.89 117.58 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.226 -0.921 . . . . 0.49 109.465 179.888 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' D' ' 324' ' ' ASP . 0.2 OUTLIER -73.72 149.45 41.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.194 -0.941 . . . . 2.1 109.575 179.889 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.33 7.74 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.773 -1.331 . . . . 0.44 109.773 179.831 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 7.3 ttp180 -78.76 -57.38 3.79 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.313 -1.11 . . . . 2.72 109.634 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -58.76 -44.37 90.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.359 -0.838 . . . . 2.21 109.653 179.987 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.556 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 1.0 OUTLIER -60.94 -46.11 92.0 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.295 -0.878 . . . . 2.79 109.647 -179.736 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.5 ' CE1' ' O ' ' D' ' 329' ' ' THR . 39.7 t80 -55.12 -54.81 38.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.46 -0.775 . . . . 0.45 109.646 -179.779 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -50.31 -36.35 31.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.386 -0.821 . . . . 1.68 109.922 -179.6 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.75 -47.31 84.11 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.17 -0.956 . . . . 0.43 109.883 -179.436 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.738 ' HZ ' HD12 ' D' ' 348' ' ' LEU . 21.8 m-85 -61.32 -53.14 60.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.139 -0.976 . . . . 0.28 109.22 -179.993 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.462 ' NH1' ' CG ' ' B' ' 342' ' ' ARG . 0.1 OUTLIER -50.67 -36.49 35.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.306 -0.871 . . . . 2.52 109.574 179.836 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.85 -45.25 95.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 1.75 109.88 -179.771 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.455 HD22 HD22 ' A' ' 344' ' ' LEU . 27.3 mt -61.81 -43.75 98.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.259 -0.9 . . . . 0.31 109.442 -179.718 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.458 ' HB2' HD21 ' D' ' 330' ' ' LEU . 47.4 t30 -57.8 -44.49 86.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.288 -0.882 . . . . 1.21 109.584 179.865 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -39.04 91.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.41 -0.806 . . . . 1.69 109.662 -179.811 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.14 -46.33 88.64 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.27 109.959 -179.786 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.736 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 19.6 mt -61.53 -45.02 95.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.319 -0.863 . . . . 0.3 109.725 -179.732 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -59.79 -36.65 77.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.217 -0.927 . . . . 1.93 109.672 -179.809 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.504 ' CD2' ' HG ' ' A' ' 350' ' ' LEU . 19.8 tp -63.7 -43.19 97.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.4 109.468 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.7 -50.08 73.88 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.279 -0.888 . . . . 1.59 108.854 179.629 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.91 -28.37 64.18 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.594 -0.691 . . . . 1.43 109.384 179.52 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.97 -36.65 85.07 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.412 -0.805 . . . . 0.65 109.832 -179.418 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.06 -14.54 53.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.141 -0.974 . . . . 1.19 109.443 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.75 -46.53 45.23 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 1.22 109.688 179.842 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.59 12.12 53.29 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.071 -1.212 . . . . 1.53 110.071 -179.591 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.78 117.82 24.89 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.191 -1.182 . . . . 4.21 109.346 179.919 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.403 ' HB3' ' HD2' ' B' ' 359' ' ' PRO . 15.2 mt-10 -50.06 165.74 0.31 Allowed Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.28 -0.887 . . . . 5.68 109.617 -179.855 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' B' ' 358' ' ' GLU . 2.9 Cg_endo -60.98 146.12 98.18 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.304 2.003 . . . . 5.57 110.296 179.924 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 CA-C-O 117.991 -1.449 . . . . 7.2 109.479 179.902 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.454 -0.572 . . . . 8.96 109.454 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 58.5 -103.67 0.18 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.31 -0.869 . . . . 8.15 109.523 -179.971 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.5 80.2 0.31 Allowed Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.867 -1.145 . . . . 7.15 109.417 179.954 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.02 84.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.343 2.028 . . . . 4.35 110.616 -179.76 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' C' ' 323' ' ' LEU . 19.3 mt -85.28 47.65 1.45 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 4.63 109.552 179.622 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . 0.439 ' HB3' ' HD2' ' A' ' 333' ' ' ARG . 3.9 m-20 -78.79 -159.58 0.18 Allowed 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.389 -0.82 . . . . 2.85 109.765 -179.55 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.08 173.24 32.14 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.705 -1.358 . . . . 1.12 109.705 -179.761 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -59.05 138.36 57.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.332 -1.099 . . . . 2.11 109.61 -179.949 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.14 159.19 15.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.286 -0.884 . . . . 0.64 109.473 179.938 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.577 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 82.3 m-85 -139.64 -171.47 3.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.49 109.506 -179.877 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.508 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 20.1 p -152.64 160.96 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.181 -0.949 . . . . 0.47 109.566 -179.808 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 329' ' ' THR . 12.5 tp -148.5 128.58 13.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.187 -0.946 . . . . 0.42 109.514 -179.827 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 38.7 tt0 -86.96 126.58 34.81 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.314 -0.866 . . . . 1.81 109.47 179.959 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.442 HD13 ' HB2' ' C' ' 341' ' ' PHE . 49.2 mt -123.89 117.56 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.42 109.558 179.784 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.44 ' HD2' ' HB3' ' A' ' 324' ' ' ASP . 0.2 OUTLIER -73.67 149.46 41.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.256 -0.902 . . . . 2.35 109.524 179.913 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.51 134.27 7.72 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.765 -1.334 . . . . 0.41 109.765 179.813 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.56 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 7.3 ttp180 -78.71 -57.36 3.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.224 -1.162 . . . . 2.59 109.674 179.929 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.8 -44.43 90.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.341 -0.849 . . . . 2.54 109.55 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 1.0 OUTLIER -60.96 -46.08 92.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.265 -0.897 . . . . 3.39 109.634 -179.65 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.464 ' CE1' ' O ' ' A' ' 329' ' ' THR . 40.5 t80 -55.06 -54.76 38.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.407 -0.808 . . . . 0.47 109.783 -179.905 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -50.34 -36.33 31.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.337 -0.852 . . . . 1.66 109.996 -179.69 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.81 -47.2 84.46 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.139 -0.975 . . . . 0.61 109.942 -179.459 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.714 ' HZ ' HD12 ' A' ' 348' ' ' LEU . 22.0 m-85 -61.26 -53.17 60.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.33 109.232 179.916 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.459 ' CG ' ' NH1' ' C' ' 342' ' ' ARG . 0.1 OUTLIER -50.76 -36.45 36.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.398 -0.814 . . . . 3.28 109.659 179.902 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.19 95.64 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.176 -0.953 . . . . 1.78 109.886 -179.801 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' D' ' 344' ' ' LEU . 27.1 mt -61.81 -43.69 98.35 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.38 109.525 -179.82 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 341' ' ' PHE . 47.6 t30 -57.98 -44.29 87.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 1.2 109.545 179.903 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -39.1 91.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.217 -0.927 . . . . 2.12 109.735 -179.915 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.09 -46.37 88.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.232 -0.918 . . . . 0.26 109.905 -179.748 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.69 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 19.6 mt -61.55 -44.99 96.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.189 -0.944 . . . . 0.4 109.754 -179.682 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.68 -36.73 77.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.362 -0.836 . . . . 2.09 109.753 -179.867 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' D' ' 350' ' ' LEU . 19.5 tp -63.65 -43.34 97.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.947 . . . . 0.75 109.425 -179.914 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.64 -50.08 73.96 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.352 -0.842 . . . . 2.19 108.867 179.675 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.88 -28.28 64.04 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.502 0.667 . . . . 1.34 109.533 179.48 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.66 85.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.72 109.838 -179.515 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -82.98 -14.67 53.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.067 -1.021 . . . . 1.8 109.462 179.951 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.66 -46.55 45.87 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.279 -0.888 . . . . 1.39 109.612 179.909 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.61 12.02 53.79 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.977 -1.249 . . . . 1.66 109.977 -179.467 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -85.89 117.95 25.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -1.191 . . . . 4.45 109.353 179.952 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . 0.401 ' HB3' ' HD2' ' C' ' 359' ' ' PRO . 15.3 mt-10 -50.15 165.76 0.31 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.199 -0.938 . . . . 6.19 109.605 -179.785 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' C' ' 358' ' ' GLU . 3.0 Cg_endo -61.02 146.15 98.13 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 122.187 1.925 . . . . 5.58 110.229 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 118.008 -1.44 . . . . 6.9 109.609 179.986 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.471 -0.566 . . . . 7.36 109.471 . . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 18.0 mttt 58.56 -103.68 0.18 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.269 -0.894 . . . . 7.15 109.495 -179.966 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 52.49 80.23 0.31 Allowed Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 120.944 -1.098 . . . . 6.5 109.395 179.956 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.06 84.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.321 2.014 . . . . 4.5 110.64 -179.804 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' D' ' 323' ' ' LEU . 19.4 mt -85.36 47.8 1.48 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.458 -0.776 . . . . 4.32 109.505 179.631 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' B' ' 333' ' ' ARG . 3.9 m-20 -78.88 -159.42 0.18 Allowed 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.477 -0.765 . . . . 2.46 109.716 -179.603 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.18 173.2 32.59 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.759 -1.336 . . . . 0.97 109.759 -179.747 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.95 138.37 57.47 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.269 -1.136 . . . . 1.67 109.522 -179.914 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.401 ' N ' ' CD1' ' D' ' 327' ' ' TYR . 7.3 m-85 -94.18 159.14 15.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.268 -0.895 . . . . 0.61 109.421 179.936 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 82.3 m-85 -139.69 -171.5 3.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.329 -0.857 . . . . 0.56 109.571 -179.928 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.5 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 20.0 p -152.62 160.9 43.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 0.43 109.562 -179.744 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' B' ' 345' ' ' ASN . 12.3 tp -148.5 128.73 13.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.338 -0.851 . . . . 0.35 109.429 -179.841 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 38.8 tt0 -87.01 126.56 34.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.181 -0.949 . . . . 1.37 109.471 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' D' ' 341' ' ' PHE . 49.5 mt -123.93 117.46 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.125 -0.985 . . . . 0.48 109.476 179.902 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.61 149.43 42.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 2.08 109.512 179.912 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 95.47 134.19 7.67 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.72 -1.352 . . . . 0.4 109.72 179.75 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.541 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 7.3 ttp180 -78.6 -57.32 3.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.309 -1.112 . . . . 2.64 109.65 179.932 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.82 -44.25 90.83 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.226 -0.921 . . . . 2.22 109.666 -179.926 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.552 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 1.0 OUTLIER -61.07 -46.03 92.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 2.74 109.705 -179.799 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.485 ' CE1' ' O ' ' B' ' 329' ' ' THR . 40.1 t80 -55.06 -54.89 37.29 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.801 . . . . 0.43 109.669 -179.924 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -50.32 -36.28 31.24 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.284 -0.885 . . . . 1.69 109.965 -179.595 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.78 -47.38 83.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.007 -1.058 . . . . 0.43 109.824 -179.451 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.736 ' HZ ' HD12 ' B' ' 348' ' ' LEU . 21.9 m-85 -61.22 -53.19 59.99 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.287 -0.883 . . . . 0.27 109.202 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.459 ' CG ' HH11 ' D' ' 342' ' ' ARG . 0.1 OUTLIER -50.73 -36.4 36.18 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.795 . . . . 2.45 109.575 179.964 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -60.92 -45.27 95.34 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.273 -0.892 . . . . 1.75 109.821 -179.767 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.457 HD22 HD22 ' C' ' 344' ' ' LEU . 27.4 mt -61.84 -43.65 98.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.295 -0.878 . . . . 0.31 109.478 -179.711 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.412 ' HB2' HD21 ' B' ' 330' ' ' LEU . 47.5 t30 -57.93 -44.45 86.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.265 -0.897 . . . . 1.22 109.525 179.92 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.94 -39.18 91.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 1.73 109.762 -179.884 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.959 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.11 -46.37 88.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.28 109.902 -179.715 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.738 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 19.6 mt -61.47 -45.08 95.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.266 -0.896 . . . . 0.31 109.768 -179.707 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.66 -36.72 76.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 1.91 109.749 -179.848 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.447 ' CD2' ' HG ' ' C' ' 350' ' ' LEU . 19.6 tp -63.65 -43.24 97.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.294 -0.879 . . . . 0.43 109.448 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.74 -50.01 74.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.225 -0.922 . . . . 1.57 108.87 179.674 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -57.98 -28.19 64.16 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.623 -0.673 . . . . 1.44 109.55 179.457 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.7 85.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.64 109.86 -179.567 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -83.05 -14.6 53.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.146 -0.971 . . . . 1.21 109.46 179.999 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.58 -46.65 45.98 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.274 -0.891 . . . . 1.22 109.674 179.855 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.51 11.97 53.65 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.126 -1.19 . . . . 1.5 110.126 -179.54 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -85.8 117.88 24.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.113 -1.227 . . . . 4.18 109.413 179.937 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.407 ' HB3' ' HD2' ' D' ' 359' ' ' PRO . 15.3 mt-10 -50.01 165.67 0.31 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.216 -0.928 . . . . 5.67 109.571 -179.814 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' D' ' 358' ' ' GLU . 3.0 Cg_endo -60.99 146.12 98.2 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.262 1.975 . . . . 5.65 110.291 179.966 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 CA-C-O 118.076 -1.402 . . . . 7.27 109.63 179.986 . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.315 0.578 . . . . 7.33 109.547 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' O ' ' HD2' ' A' ' 322' ' ' PRO . 11.9 tttt 61.37 -143.98 0.46 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.057 -1.027 . . . . 7.21 109.171 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.717 ' CB ' ' CD ' ' A' ' 322' ' ' PRO . 26.9 mmtt 43.27 -97.91 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.596 0 CA-C-O 117.638 -1.173 . . . . 6.47 110.303 179.922 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.717 ' CD ' ' CB ' ' A' ' 321' ' ' LYS . 1.3 Cg_endo -62.09 84.82 0.1 OUTLIER 'Trans proline' 0 N--CA 1.484 0.926 0 CA-C-N 121.001 1.393 . . . . 4.53 110.789 179.751 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 320' ' ' LYS . 8.4 mt -86.64 -0.37 56.1 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.073 -1.017 . . . . 4.35 109.563 179.286 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.57 -14.91 51.04 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.096 -1.003 . . . . 2.48 110.051 -179.439 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.519 ' O ' ' CE1' ' A' ' 327' ' ' TYR . . . -72.48 120.18 7.48 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 119.614 -1.279 . . . . 0.98 109.922 179.874 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.16 123.12 17.82 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.601 -0.941 . . . . 1.7 109.132 179.288 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' A' ' 325' ' ' GLY . 79.0 m-85 -95.97 149.03 22.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.123 -0.986 . . . . 0.61 109.994 -179.81 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 92.7 m-85 -137.8 -168.89 2.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.398 -0.814 . . . . 0.58 109.361 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.558 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 65.3 p -154.18 158.98 41.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.213 -0.929 . . . . 0.42 109.621 -179.937 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' C' ' 342' ' ' ARG . 9.6 tp -147.1 128.97 15.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.206 -0.934 . . . . 0.36 109.515 -179.887 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 36.9 tt0 -87.38 129.77 34.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.283 -0.885 . . . . 1.37 109.634 -179.949 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 341' ' ' PHE . 46.0 mt -123.5 120.45 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.47 109.439 179.677 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.48 41.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.211 -0.93 . . . . 2.1 109.787 -179.824 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.22 138.91 4.57 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.742 -1.343 . . . . 0.42 109.742 179.695 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.487 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.0 OUTLIER -79.2 -45.64 19.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.297 -1.119 . . . . 2.68 109.495 179.925 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.77 -46.6 87.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 2.22 109.424 179.951 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.7 ' HD2' HD13 ' C' ' 348' ' ' LEU . 6.6 tpp180 -61.29 -44.71 96.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.343 -0.848 . . . . 2.77 109.786 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.553 ' CE1' ' O ' ' C' ' 329' ' ' THR . 24.0 t80 -54.94 -56.27 21.51 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.525 -0.734 . . . . 0.43 109.833 -179.77 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.85 -37.89 60.83 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.279 -0.888 . . . . 1.66 109.978 -179.642 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.7 -46.69 86.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.202 -0.936 . . . . 0.44 110.115 -179.328 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CD2' HD13 ' A' ' 332' ' ' ILE . 28.4 m-85 -61.36 -51.44 68.79 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.118 -0.989 . . . . 0.29 109.401 -179.847 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' C' ' 330' ' ' LEU . 10.5 ttm180 -50.93 -37.74 46.02 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.391 -0.818 . . . . 2.44 109.688 179.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.44 -46.39 90.28 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.237 -0.914 . . . . 1.74 110.054 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 344' ' ' LEU . 75.1 mt -61.65 -43.13 99.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.197 -0.94 . . . . 0.3 109.651 -179.682 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.417 ' HB2' HD21 ' C' ' 330' ' ' LEU . 38.4 t30 -58.33 -46.54 86.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.296 -0.878 . . . . 1.22 109.7 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.67 -37.23 85.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 1.72 109.879 -179.683 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.86 -48.1 83.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.244 -0.91 . . . . 0.27 110.058 -179.719 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.726 HD13 ' HD2' ' C' ' 337' ' ' ARG . 51.1 mt -61.56 -44.74 96.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.221 -0.924 . . . . 0.29 109.711 -179.675 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.31 -36.44 75.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.196 -0.94 . . . . 1.91 109.458 179.97 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.644 HD21 ' NE2' ' B' ' 354' ' ' GLN . 15.7 tp -64.29 -41.34 96.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.346 -0.846 . . . . 0.41 109.454 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.533 ' HA ' HD22 ' B' ' 350' ' ' LEU . 1.1 ttmp? -62.32 -49.48 75.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.271 -0.893 . . . . 1.56 109.054 179.811 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -56.93 -30.74 64.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.585 -0.697 . . . . 1.43 109.718 179.763 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.66 -43.65 84.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -0.849 . . . . 0.66 109.961 -179.593 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.501 ' NE2' HD21 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -81.91 -6.99 59.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.128 -0.983 . . . . 1.18 109.807 -179.728 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.88 -24.24 61.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.16 -0.962 . . . . 1.23 109.404 179.962 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.46 -1.05 88.06 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.816 -1.314 . . . . 1.54 109.816 -179.918 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 121.12 28.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.081 -1.246 . . . . 4.18 109.697 -179.723 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 163.44 0.56 Allowed Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 5.71 109.562 179.941 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.92 142.12 92.0 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.2 1.933 . . . . 5.61 110.198 179.905 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 CA-C-O 117.944 -1.476 . . . . 7.24 109.561 179.869 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.228 0.537 . . . . 7.34 109.573 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' B' ' 322' ' ' PRO . 11.9 tttt 61.27 -144.01 0.46 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.247 -0.908 . . . . 7.17 109.18 -179.866 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.708 ' CB ' ' CD ' ' B' ' 322' ' ' PRO . 27.0 mmtt 43.32 -97.97 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.607 0 CA-C-O 117.683 -1.151 . . . . 6.44 110.353 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.708 ' CD ' ' CB ' ' B' ' 321' ' ' LYS . 1.3 Cg_endo -62.05 84.77 0.1 OUTLIER 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.966 1.381 . . . . 4.54 110.877 179.763 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' B' ' 320' ' ' LYS . 8.4 mt -86.68 -0.26 55.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.022 -1.049 . . . . 4.32 109.546 179.395 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -83.77 -14.09 52.31 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 2.47 110.065 -179.475 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' B' ' 327' ' ' TYR . . . -73.57 120.41 6.95 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.721 -1.351 . . . . 0.95 109.721 -179.945 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.27 123.05 17.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.557 -0.966 . . . . 1.61 109.001 179.565 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.515 ' CE1' ' O ' ' B' ' 325' ' ' GLY . 79.4 m-85 -95.93 149.24 21.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.154 -0.966 . . . . 0.57 109.901 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 92.7 m-85 -138.05 -168.97 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.398 -0.814 . . . . 0.53 109.294 179.887 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.543 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 65.5 p -154.22 158.84 40.89 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.197 -0.939 . . . . 0.38 109.706 -179.789 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' D' ' 329' ' ' THR . 9.6 tp -147.06 129.04 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.257 -0.902 . . . . 0.36 109.488 -179.879 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 37.0 tt0 -87.31 129.85 34.84 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.344 -0.848 . . . . 1.36 109.68 -179.965 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.649 HD13 ' CD2' ' B' ' 341' ' ' PHE . 46.4 mt -123.67 120.6 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.245 -0.91 . . . . 0.49 109.358 179.656 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.21 151.8 41.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.273 -0.892 . . . . 2.1 109.717 -179.908 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.89 139.0 4.42 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.832 -1.307 . . . . 0.44 109.832 179.781 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.486 ' NH1' ' HG2' ' B' ' 335' ' ' ARG . 0.0 OUTLIER -79.29 -45.72 19.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -1.143 . . . . 2.72 109.369 179.923 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.7 -46.6 86.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.862 . . . . 2.21 109.498 179.92 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.649 ' HD2' HD13 ' D' ' 348' ' ' LEU . 6.6 tpp180 -61.21 -44.76 96.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.325 -0.86 . . . . 2.79 109.814 179.975 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' D' ' 329' ' ' THR . 24.0 t80 -54.96 -56.2 22.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.475 -0.766 . . . . 0.45 109.843 -179.738 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -52.94 -37.74 61.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.461 -0.774 . . . . 1.68 110.025 -179.662 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.75 -46.57 87.45 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.43 110.228 -179.419 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.649 ' CD2' HD13 ' B' ' 332' ' ' ILE . 28.4 m-85 -61.45 -51.48 68.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.28 109.273 -179.834 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' D' ' 330' ' ' LEU . 10.5 ttm180 -51.02 -37.73 46.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.346 -0.846 . . . . 2.52 109.655 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.39 -46.32 90.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.341 -0.849 . . . . 1.75 110.112 -179.58 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 344' ' ' LEU . 74.9 mt -61.68 -43.14 99.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.31 109.663 -179.721 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -58.4 -46.44 86.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.3 -0.875 . . . . 1.21 109.688 -179.942 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.76 -37.18 85.6 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 1.69 109.892 -179.734 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.903 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.91 -48.1 83.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.263 -0.898 . . . . 0.27 109.98 -179.744 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' D' ' 337' ' ' ARG . 50.9 mt -61.47 -44.84 96.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.3 109.799 -179.729 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -59.25 -36.46 75.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.386 -0.821 . . . . 1.93 109.531 179.886 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 351' ' ' LYS . 15.8 tp -64.2 -41.45 97.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.363 -0.836 . . . . 0.4 109.475 179.982 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 1.1 ttmp? -62.31 -49.47 75.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -0.879 . . . . 1.59 109.024 179.885 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -56.92 -30.74 64.25 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.485 -0.759 . . . . 1.43 109.644 179.776 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.86 84.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.37 -0.831 . . . . 0.65 109.973 -179.652 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.644 ' NE2' HD21 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -81.87 -6.87 59.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.213 -0.93 . . . . 1.19 109.814 -179.643 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.91 -24.17 61.6 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.126 -0.984 . . . . 1.22 109.49 179.875 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.93 87.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.862 -1.295 . . . . 1.53 109.862 -179.966 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.37 121.06 28.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -1.219 . . . . 4.21 109.67 -179.696 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.25 163.34 0.55 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 5.68 109.616 179.93 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.92 142.12 92.0 Favored 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.207 1.938 . . . . 5.57 110.25 179.819 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.573 -1.411 . . . . 7.2 109.573 179.94 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.311 0.577 . . . . 8.96 109.464 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.534 ' O ' ' HD2' ' C' ' 322' ' ' PRO . 11.8 tttt 61.35 -144.05 0.46 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 8.15 109.193 -179.89 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.716 ' CB ' ' CD ' ' C' ' 322' ' ' PRO . 27.0 mmtt 43.28 -97.9 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.622 0 CA-C-O 117.637 -1.173 . . . . 7.15 110.311 -179.985 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.716 ' CD ' ' CB ' ' C' ' 321' ' ' LYS . 1.2 Cg_endo -62.16 84.78 0.1 Allowed 'Trans proline' 0 N--CA 1.483 0.88 0 CA-C-N 121.01 1.396 . . . . 4.35 110.771 179.852 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' C' ' 320' ' ' LYS . 8.3 mt -86.67 -0.24 55.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.959 -1.088 . . . . 4.63 109.547 179.357 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -83.75 -14.45 51.52 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 2.85 110.047 -179.46 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.505 ' O ' ' CE1' ' C' ' 327' ' ' TYR . . . -73.08 120.34 7.17 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.746 -1.342 . . . . 1.12 109.746 -179.956 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.34 123.24 18.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.614 -0.933 . . . . 2.11 109.04 179.475 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.505 ' CE1' ' O ' ' C' ' 325' ' ' GLY . 79.5 m-85 -96.09 149.21 21.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.056 -1.028 . . . . 0.64 109.858 -179.702 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 92.9 m-85 -138.01 -168.97 2.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.463 -0.773 . . . . 0.49 109.358 179.854 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.553 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 64.8 p -154.19 158.9 41.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.17 -0.956 . . . . 0.47 109.616 -179.819 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 342' ' ' ARG . 9.6 tp -147.04 128.93 15.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.379 -0.825 . . . . 0.42 109.557 -179.861 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.3 129.85 34.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.394 -0.816 . . . . 1.81 109.722 -179.95 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.659 HD13 ' CD2' ' C' ' 341' ' ' PHE . 46.5 mt -123.65 120.5 60.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.42 109.388 179.753 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -73.28 151.45 41.35 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.2 -0.937 . . . . 2.35 109.759 -179.855 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 85.27 138.85 4.58 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.795 -1.322 . . . . 0.41 109.795 179.686 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.484 ' HG2' ' NH1' ' C' ' 335' ' ' ARG . 0.0 OUTLIER -79.13 -45.78 19.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.268 -1.137 . . . . 2.59 109.43 179.94 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.63 -46.69 86.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.232 -0.917 . . . . 2.54 109.473 179.964 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.726 ' HD2' HD13 ' A' ' 348' ' ' LEU . 6.6 tpp180 -61.2 -44.74 96.8 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.367 -0.833 . . . . 3.39 109.8 -179.963 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' A' ' 329' ' ' THR . 23.9 t80 -54.91 -56.35 20.48 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.522 -0.737 . . . . 0.47 109.732 -179.716 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -52.88 -37.77 60.87 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.4 -0.813 . . . . 1.66 110.005 -179.573 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.68 86.97 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.221 -0.925 . . . . 0.61 110.129 -179.364 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.659 ' CD2' HD13 ' C' ' 332' ' ' ILE . 28.5 m-85 -61.45 -51.37 69.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.217 -0.927 . . . . 0.33 109.358 -179.763 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.477 ' HG3' ' CD1' ' A' ' 330' ' ' LEU . 10.5 ttm180 -50.99 -37.74 46.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 3.28 109.686 179.923 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.48 -46.23 90.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.266 -0.896 . . . . 1.78 110.129 -179.532 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 344' ' ' LEU . 74.6 mt -61.64 -43.32 99.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.159 -0.963 . . . . 0.38 109.545 -179.724 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.41 ' HB2' HD21 ' A' ' 330' ' ' LEU . 38.3 t30 -58.25 -46.46 85.94 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.303 -0.873 . . . . 1.2 109.743 -179.894 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.74 -37.29 86.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 2.12 109.79 -179.649 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.89 -48.02 83.39 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.26 110.052 -179.71 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.7 HD13 ' HD2' ' A' ' 337' ' ' ARG . 50.6 mt -61.53 -44.75 96.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.35 -0.844 . . . . 0.4 109.772 -179.672 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.26 -36.49 75.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.175 -0.953 . . . . 2.09 109.475 179.938 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.526 HD21 ' NE2' ' D' ' 354' ' ' GLN . 15.7 tp -64.22 -41.42 97.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.75 109.46 179.96 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.33 -49.32 76.06 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.422 -0.799 . . . . 2.19 109.089 179.909 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -56.93 -30.92 64.44 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.62 -0.675 . . . . 1.34 109.652 179.723 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.78 84.36 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.356 -0.84 . . . . 0.72 109.929 -179.583 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.577 ' NE2' HD21 ' D' ' 350' ' ' LEU . 1.0 OUTLIER -81.92 -6.88 59.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.211 -0.931 . . . . 1.8 109.855 -179.712 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.02 -24.12 61.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.172 -0.955 . . . . 1.39 109.347 179.958 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.49 -1.08 87.98 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.871 -1.291 . . . . 1.66 109.871 -179.967 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.23 121.01 28.21 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -1.222 . . . . 4.45 109.728 -179.685 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 163.31 0.56 Allowed Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.241 -0.912 . . . . 6.19 109.656 179.939 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -61.8 142.13 92.59 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.261 1.974 . . . . 5.58 110.242 179.863 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.574 -1.41 . . . . 6.9 109.574 179.95 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 18.8 mttt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.252 0.548 . . . . 7.36 109.538 . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' D' ' 322' ' ' PRO . 11.8 tttt 61.39 -144.06 0.45 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 7.15 109.161 -179.927 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.723 ' CB ' ' CD ' ' D' ' 322' ' ' PRO . 27.1 mmtt 43.31 -97.97 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 117.775 -1.107 . . . . 6.5 110.26 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.723 ' CD ' ' CB ' ' D' ' 321' ' ' LYS . 1.3 Cg_endo -62.03 84.84 0.1 OUTLIER 'Trans proline' 0 N--CA 1.483 0.896 0 CA-C-N 120.986 1.388 . . . . 4.5 110.807 179.783 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' D' ' 320' ' ' LYS . 8.4 mt -86.81 -0.19 55.96 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.049 -1.032 . . . . 4.32 109.486 179.348 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -83.7 -14.63 51.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.304 -0.873 . . . . 2.46 109.975 -179.514 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.516 ' O ' ' CE1' ' D' ' 327' ' ' TYR . . . -72.99 120.29 7.19 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.843 -1.303 . . . . 0.97 109.843 -179.995 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -63.18 123.0 17.5 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.621 -0.929 . . . . 1.67 109.139 179.476 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.516 ' CE1' ' O ' ' D' ' 325' ' ' GLY . 79.3 m-85 -95.89 149.36 21.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.95 -1.093 . . . . 0.61 109.881 -179.701 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 331' ' ' GLN . 92.9 m-85 -138.05 -168.98 2.46 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.363 -0.836 . . . . 0.56 109.224 179.899 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.533 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 64.3 p -154.26 158.94 40.98 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.43 109.634 -179.884 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' B' ' 329' ' ' THR . 9.7 tp -147.07 129.03 15.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.266 -0.896 . . . . 0.35 109.478 -179.818 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 37.0 tt0 -87.34 129.86 34.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.302 -0.874 . . . . 1.37 109.631 -179.974 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' D' ' 341' ' ' PHE . 45.9 mt -123.68 120.59 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.14 -0.975 . . . . 0.48 109.389 179.606 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -73.16 151.74 41.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 2.08 109.765 -179.915 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 84.94 138.95 4.43 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.764 -1.334 . . . . 0.4 109.764 179.765 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.513 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -79.21 -45.78 19.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -1.145 . . . . 2.64 109.323 179.89 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.68 -46.58 86.91 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.37 -0.831 . . . . 2.22 109.522 179.987 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.733 ' HD2' HD13 ' B' ' 348' ' ' LEU . 6.6 tpp180 -61.25 -44.86 96.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.295 -0.878 . . . . 2.74 109.754 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.543 ' CE1' ' O ' ' B' ' 329' ' ' THR . 24.0 t80 -54.79 -56.36 20.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.417 -0.802 . . . . 0.43 109.876 -179.748 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -52.78 -37.78 60.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.434 -0.791 . . . . 1.69 110.089 -179.699 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.74 -46.58 87.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.322 -0.861 . . . . 0.43 110.214 -179.379 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.661 ' CD2' HD13 ' D' ' 332' ' ' ILE . 28.7 m-85 -61.49 -51.47 68.53 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.229 -0.919 . . . . 0.27 109.326 -179.839 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' B' ' 330' ' ' LEU . 10.5 ttm180 -50.94 -37.61 45.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 2.45 109.722 179.976 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.46 -46.29 90.68 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.297 -0.877 . . . . 1.75 110.141 -179.582 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' D' ' 344' ' ' LEU . 75.6 mt -61.71 -43.23 99.25 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.943 . . . . 0.31 109.661 -179.667 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -58.16 -46.52 85.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.323 -0.86 . . . . 1.22 109.748 179.925 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.77 -37.29 86.07 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 1.73 109.79 -179.607 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.931 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -59.84 -48.12 82.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.357 -0.839 . . . . 0.28 110.025 -179.759 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.649 HD13 ' HD2' ' B' ' 337' ' ' ARG . 51.7 mt -61.5 -44.68 96.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.882 . . . . 0.31 109.793 -179.689 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -59.36 -36.49 75.83 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 1.91 109.503 179.87 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.577 HD21 ' NE2' ' C' ' 354' ' ' GLN . 15.8 tp -64.24 -41.42 96.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.189 -0.944 . . . . 0.43 109.46 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.26 -49.46 75.59 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.349 -0.844 . . . . 1.57 109.044 179.85 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -56.91 -30.89 64.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.634 -0.666 . . . . 1.44 109.622 179.762 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.67 84.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.64 109.963 -179.605 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.526 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -81.93 -6.91 59.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.17 -0.956 . . . . 1.21 109.804 -179.687 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.03 61.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.122 -0.986 . . . . 1.22 109.449 179.936 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.7 -0.85 87.68 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.841 -1.304 . . . . 1.5 109.841 -179.97 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.28 121.11 28.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.214 -1.168 . . . . 4.18 109.72 -179.837 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 163.42 0.56 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 5.67 109.556 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -61.94 142.13 91.89 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.211 1.941 . . . . 5.65 110.258 179.803 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.555 -1.418 . . . . 7.27 109.555 179.902 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.517 -0.549 . . . . 7.33 109.517 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 321' ' ' LYS . 2.4 mtmt 59.03 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.248 -0.908 . . . . 7.21 109.371 179.943 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.526 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 3.9 pttp 40.74 58.42 8.15 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.449 -0.782 . . . . 6.47 110.134 -179.998 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 2.8 Cg_endo -60.97 164.23 14.63 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.085 1.857 . . . . 4.53 109.919 179.592 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.02 95.33 6.78 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.019 -1.051 . . . . 4.35 109.584 179.93 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 327' ' ' TYR . 8.0 m-20 -82.66 -170.72 3.12 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.447 -0.783 . . . . 2.48 109.466 179.799 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.99 -179.0 20.08 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.348 -1.501 . . . . 0.98 109.348 179.661 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.12 136.64 58.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.164 -1.198 . . . . 1.7 109.465 179.957 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 324' ' ' ASP . 65.1 m-85 -93.3 158.81 15.55 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.887 . . . . 0.61 109.355 179.938 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.4 m-85 -139.72 -169.46 2.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.199 -0.938 . . . . 0.58 109.523 -179.962 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 35.0 p -153.58 156.24 37.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.324 -0.86 . . . . 0.42 109.377 -179.854 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.432 HD13 ' HG3' ' C' ' 342' ' ' ARG . 29.1 tp -149.67 135.4 18.58 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.896 . . . . 0.36 109.522 -179.733 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.85 134.23 33.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 1.37 109.499 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 341' ' ' PHE . 45.5 mt -124.05 111.4 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.176 -0.952 . . . . 0.47 109.571 179.96 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.0 OUTLIER -73.38 144.0 46.6 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.19 -0.944 . . . . 2.1 109.494 179.833 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.44 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 100.49 140.19 11.2 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.725 -1.35 . . . . 0.42 109.725 179.809 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.574 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.5 OUTLIER -79.82 -59.46 2.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -1.159 . . . . 2.68 109.473 179.866 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.81 -42.4 89.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.387 -0.82 . . . . 2.22 109.786 179.989 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 340' ' ' MET . 5.8 ttm180 -60.41 -44.09 96.06 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.364 -0.835 . . . . 2.77 109.94 -179.606 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.509 ' HA ' HG21 ' A' ' 332' ' ' ILE . 34.9 t80 -54.52 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.283 -0.886 . . . . 0.43 109.66 -179.791 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.6 -31.32 35.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 1.66 109.985 -179.848 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.453 ' HB3' ' O ' ' A' ' 337' ' ' ARG . 2.9 ttp -65.88 -50.2 65.36 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.21 -0.931 . . . . 0.44 109.756 -179.813 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.638 ' HB2' HD13 ' A' ' 332' ' ' ILE . 25.5 m-85 -60.59 -52.57 64.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.872 . . . . 0.29 109.328 -179.941 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.438 ' HG3' HD13 ' C' ' 330' ' ' LEU . 7.6 ttm180 -50.66 -37.1 38.9 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.37 -0.831 . . . . 2.44 109.633 179.824 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -61.74 -45.34 94.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.233 -0.917 . . . . 1.74 109.854 -179.823 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' B' ' 344' ' ' LEU . 72.9 mt -61.91 -44.86 95.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.276 -0.89 . . . . 0.3 109.604 -179.762 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.56 -45.3 85.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.321 -0.862 . . . . 1.22 109.593 179.944 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -62.71 -36.29 82.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.237 -0.914 . . . . 1.72 109.515 -179.874 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.37 -50.5 73.36 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.27 109.799 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.558 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 18.8 mt -61.13 -42.36 98.39 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.151 -0.968 . . . . 0.29 109.601 -179.646 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.59 -37.28 78.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.301 -0.875 . . . . 1.91 109.445 179.936 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.509 ' CD2' ' HG ' ' B' ' 350' ' ' LEU . 33.0 tp -63.9 -40.92 97.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.378 -0.826 . . . . 0.41 109.369 179.958 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -50.34 72.48 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.837 -0.801 . . . . 1.56 108.837 179.666 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.43 -31.46 63.96 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.701 -0.625 . . . . 1.43 109.562 179.706 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.99 79.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.66 109.44 -179.758 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.84 -8.51 59.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.259 -0.9 . . . . 1.18 109.485 179.952 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -88.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -0.907 . . . . 1.23 109.198 179.708 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.52 103.19 1.59 Allowed Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.408 -1.477 . . . . 1.54 109.408 179.703 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -85.87 -153.62 0.19 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -1.21 . . . . 4.18 109.399 -179.93 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.31 133.91 17.15 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 5.71 109.269 179.97 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -60.7 123.62 13.37 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 121.946 1.764 . . . . 5.61 110.193 -179.871 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.978 -1.457 . . . . 7.24 109.536 179.974 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.492 -0.559 . . . . 7.34 109.492 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' B' ' 321' ' ' LYS . 2.4 mtmt 58.99 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 7.17 109.427 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 3.9 pttp 40.88 58.31 8.34 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.425 -0.797 . . . . 6.44 110.172 179.934 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 2.8 Cg_endo -60.95 164.17 14.73 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.142 1.895 . . . . 4.54 109.924 179.585 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.06 95.38 6.82 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.185 -0.947 . . . . 4.32 109.53 179.939 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' B' ' 327' ' ' TYR . 8.1 m-20 -82.62 -170.77 3.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.386 -0.821 . . . . 2.47 109.386 179.747 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.0 -179.1 20.35 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.3 -1.52 . . . . 0.95 109.3 179.696 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -58.99 136.55 57.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.138 -1.213 . . . . 1.61 109.512 179.94 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.406 ' CZ ' ' HB2' ' B' ' 324' ' ' ASP . 64.2 m-85 -93.27 158.74 15.6 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.246 -0.909 . . . . 0.57 109.416 179.956 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 90.7 m-85 -139.7 -169.51 2.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.234 -0.916 . . . . 0.53 109.571 -179.927 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 35.0 p -153.54 156.32 37.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.207 -0.933 . . . . 0.38 109.397 -179.904 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.444 HD13 ' HG3' ' D' ' 342' ' ' ARG . 28.7 tp -149.77 135.36 18.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.202 -0.936 . . . . 0.36 109.542 -179.689 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 35.4 tt0 -85.89 134.27 33.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.252 -0.905 . . . . 1.36 109.476 -179.945 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' B' ' 341' ' ' PHE . 45.4 mt -124.01 111.41 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.179 -0.951 . . . . 0.49 109.598 179.942 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.0 OUTLIER -73.43 143.98 46.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.269 -0.894 . . . . 2.1 109.522 179.823 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 100.56 140.11 11.16 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.727 -1.349 . . . . 0.44 109.727 179.794 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.505 ' NH1' ' HG3' ' B' ' 335' ' ' ARG . 0.5 OUTLIER -79.75 -59.38 2.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.303 -1.116 . . . . 2.72 109.463 179.954 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.88 -42.48 89.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.389 -0.819 . . . . 2.21 109.726 -179.991 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' B' ' 340' ' ' MET . 5.7 ttm180 -60.37 -44.02 95.99 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.302 -0.873 . . . . 2.79 109.975 -179.556 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.507 ' HA ' HG21 ' B' ' 332' ' ' ILE . 34.9 t80 -54.46 -58.27 8.11 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.374 -0.829 . . . . 0.45 109.591 -179.819 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.46 -31.52 35.22 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.386 -0.821 . . . . 1.68 109.859 -179.745 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' B' ' 337' ' ' ARG . 2.9 ttp -65.81 -50.19 65.56 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.209 -0.932 . . . . 0.43 109.724 -179.721 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.642 ' HB2' HD13 ' B' ' 332' ' ' ILE . 25.3 m-85 -60.64 -52.6 64.46 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.255 -0.903 . . . . 0.28 109.299 -179.871 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' D' ' 330' ' ' LEU . 7.7 ttm180 -50.67 -37.05 38.83 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.398 -0.814 . . . . 2.52 109.611 179.848 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.85 -45.13 95.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.174 -0.954 . . . . 1.75 109.957 -179.85 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.726 HD22 HD22 ' A' ' 344' ' ' LEU . 72.7 mt -61.96 -44.9 95.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.919 . . . . 0.31 109.605 -179.866 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.49 -45.4 84.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.214 -0.929 . . . . 1.21 109.547 179.985 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -62.6 -36.26 82.18 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.873 . . . . 1.69 109.558 -179.885 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.85 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.46 -50.32 74.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.255 -0.903 . . . . 0.27 109.87 -179.85 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.569 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 18.9 mt -61.32 -42.32 98.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.3 109.512 -179.645 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.54 -37.33 78.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 1.93 109.467 179.885 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 350' ' ' LEU . 33.4 tp -63.86 -40.99 97.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.327 -0.858 . . . . 0.4 109.373 179.924 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.91 -50.41 72.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.274 -0.891 . . . . 1.59 108.799 179.719 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -31.5 63.82 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.729 -0.607 . . . . 1.43 109.635 179.659 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.03 -34.87 79.07 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.65 109.521 -179.825 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -82.84 -8.58 59.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 1.19 109.511 179.939 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -88.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 1.22 109.163 179.798 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.61 103.41 1.63 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.399 -1.48 . . . . 1.53 109.399 179.738 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -86.03 -153.6 0.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -1.103 . . . . 4.21 109.345 -179.873 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.36 134.07 17.42 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.196 -0.94 . . . . 5.68 109.137 -179.913 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.87 123.65 13.38 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 121.925 1.75 . . . . 5.57 110.168 -179.914 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 CA-C-O 117.954 -1.47 . . . . 7.2 109.548 179.942 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.442 -0.577 . . . . 8.96 109.442 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' C' ' 321' ' ' LYS . 2.4 mtmt 58.98 -91.21 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 8.15 109.382 -179.979 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.535 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 3.8 pttp 40.76 58.46 8.18 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.402 -0.811 . . . . 7.15 110.087 -179.985 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 2.8 Cg_endo -61.01 164.22 14.73 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.161 1.908 . . . . 4.35 109.896 179.575 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.03 95.39 6.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.107 -0.996 . . . . 4.63 109.476 179.965 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.69 -170.79 3.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.45 -0.781 . . . . 2.85 109.416 179.721 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.98 -179.16 20.39 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.417 -1.473 . . . . 1.12 109.417 179.66 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.02 136.52 57.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.176 -1.191 . . . . 2.11 109.483 179.987 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -93.26 158.78 15.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.226 -0.921 . . . . 0.64 109.408 179.932 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 90.4 m-85 -139.68 -169.58 2.73 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.228 -0.92 . . . . 0.49 109.513 -179.836 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.402 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 35.2 p -153.5 156.13 37.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.232 -0.918 . . . . 0.47 109.41 -179.952 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.438 HD13 ' HG3' ' A' ' 342' ' ' ARG . 28.7 tp -149.52 135.54 18.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.191 -0.943 . . . . 0.42 109.657 -179.847 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -85.98 134.16 33.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.171 -0.955 . . . . 1.81 109.454 -179.896 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' C' ' 341' ' ' PHE . 45.0 mt -123.93 111.37 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.168 -0.958 . . . . 0.42 109.613 179.977 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.0 OUTLIER -73.54 144.07 46.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.218 -0.926 . . . . 2.35 109.445 179.889 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 100.5 140.13 11.17 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.776 -1.33 . . . . 0.41 109.776 179.883 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.513 ' HG3' ' NH1' ' C' ' 335' ' ' ARG . 0.5 OUTLIER -79.8 -59.32 2.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.23 -1.159 . . . . 2.59 109.511 179.885 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.94 -42.43 89.76 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 2.54 109.755 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' C' ' 340' ' ' MET . 5.7 ttm180 -60.3 -44.27 95.56 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.254 -0.904 . . . . 3.39 109.875 -179.615 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.522 ' HA ' HG21 ' C' ' 332' ' ' ILE . 35.1 t80 -54.37 -58.25 8.16 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.247 -0.908 . . . . 0.47 109.687 -179.699 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.4 -31.5 34.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 1.66 109.98 -179.879 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.46 ' HB3' ' O ' ' C' ' 337' ' ' ARG . 2.8 ttp -65.75 -50.2 65.63 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.29 -0.881 . . . . 0.61 109.681 -179.736 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' C' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.54 64.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.247 -0.908 . . . . 0.33 109.333 -179.837 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.432 ' HG3' HD13 ' A' ' 330' ' ' LEU . 7.7 ttm180 -50.75 -37.03 39.62 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.397 -0.814 . . . . 3.28 109.531 179.871 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.7 -45.34 94.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.206 -0.934 . . . . 1.78 109.889 -179.786 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' D' ' 344' ' ' LEU . 72.6 mt -61.88 -44.9 95.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.38 109.554 -179.746 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -57.58 -45.34 85.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.25 -0.906 . . . . 1.2 109.544 -179.959 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.69 -36.13 81.95 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.287 -0.883 . . . . 2.12 109.582 -179.911 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.54 -50.31 74.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.26 109.886 -179.864 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.525 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 18.7 mt -61.2 -42.35 98.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.344 -0.848 . . . . 0.4 109.646 -179.785 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.5 -37.37 78.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -0.882 . . . . 2.09 109.456 179.903 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 33.2 tp -63.88 -40.93 97.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.3 -0.875 . . . . 0.75 109.376 179.994 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -50.43 72.19 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.383 -0.823 . . . . 2.19 108.889 179.602 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -31.46 63.84 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.685 -0.634 . . . . 1.34 109.589 179.698 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.83 78.96 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.28 -0.888 . . . . 0.72 109.491 -179.776 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.85 -8.58 59.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.903 . . . . 1.8 109.556 179.879 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -88.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.185 -0.947 . . . . 1.39 109.173 179.832 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.69 103.29 1.62 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.364 -1.494 . . . . 1.66 109.364 179.72 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -85.85 -153.63 0.19 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.281 -1.129 . . . . 4.45 109.368 -179.872 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.35 133.98 17.38 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 6.19 109.215 179.944 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.81 123.58 13.25 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.991 1.794 . . . . 5.58 110.14 -179.817 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 117.939 -1.478 . . . . 6.9 109.573 179.978 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.457 -0.572 . . . . 7.36 109.457 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' D' ' 321' ' ' LYS . 2.4 mtmt 59.07 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -0.882 . . . . 7.15 109.389 179.966 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 3.8 pttp 40.8 58.44 8.24 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.5 -0.75 . . . . 6.5 110.087 179.941 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 2.8 Cg_endo -61.05 164.24 14.82 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.074 1.85 . . . . 4.5 109.931 179.606 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.04 95.33 6.79 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.187 -0.946 . . . . 4.32 109.545 179.948 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.62 -170.7 3.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.494 -0.754 . . . . 2.46 109.467 179.714 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.01 -179.09 20.37 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.301 -1.52 . . . . 0.97 109.301 179.724 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -59.02 136.61 58.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.184 -1.186 . . . . 1.67 109.499 179.878 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -93.26 158.79 15.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.214 -0.929 . . . . 0.61 109.338 179.975 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 90.5 m-85 -139.83 -169.6 2.75 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.17 -0.956 . . . . 0.56 109.553 -179.988 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 34.7 p -153.49 156.33 37.94 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.244 -0.91 . . . . 0.43 109.379 -179.892 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.431 HD13 ' HG3' ' B' ' 342' ' ' ARG . 28.7 tp -149.69 135.39 18.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.228 -0.92 . . . . 0.35 109.521 -179.639 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 35.3 tt0 -85.87 134.18 33.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.32 -0.862 . . . . 1.37 109.517 179.969 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.62 HD13 ' HB2' ' D' ' 341' ' ' PHE . 45.6 mt -124.03 111.34 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.48 109.592 179.961 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.0 OUTLIER -73.36 144.04 46.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.241 -0.912 . . . . 2.08 109.487 179.843 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 100.54 140.16 11.18 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.734 -1.346 . . . . 0.4 109.734 179.78 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.573 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.5 OUTLIER -79.87 -59.35 2.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.226 -1.161 . . . . 2.64 109.437 179.904 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -58.86 -42.53 89.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.433 -0.792 . . . . 2.22 109.674 -179.956 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' D' ' 340' ' ' MET . 5.8 ttm180 -60.36 -44.11 95.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.217 -0.927 . . . . 2.74 109.814 -179.474 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.526 ' HA ' HG21 ' D' ' 332' ' ' ILE . 34.7 t80 -54.55 -58.08 8.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.961 . . . . 0.43 109.611 -179.723 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -52.54 -31.4 35.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.359 -0.838 . . . . 1.69 110.019 -179.821 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' D' ' 337' ' ' ARG . 2.9 ttp -65.91 -50.1 65.65 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.063 -1.023 . . . . 0.43 109.66 -179.734 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.62 ' HB2' HD13 ' D' ' 332' ' ' ILE . 25.3 m-85 -60.68 -52.63 64.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.272 -0.892 . . . . 0.27 109.269 -179.881 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.444 ' HG3' HD13 ' B' ' 330' ' ' LEU . 7.7 ttm180 -50.62 -37.1 38.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.314 -0.866 . . . . 2.45 109.569 179.881 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.68 -45.3 94.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.198 -0.939 . . . . 1.75 109.881 -179.815 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.747 HD22 HD22 ' C' ' 344' ' ' LEU . 72.3 mt -61.99 -44.95 95.64 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.192 -0.943 . . . . 0.31 109.538 -179.659 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -57.44 -45.42 84.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 1.22 109.566 179.912 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -62.64 -36.22 82.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.432 -0.793 . . . . 1.73 109.557 -179.915 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.812 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.51 -50.29 74.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.304 -0.873 . . . . 0.28 109.904 -179.884 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.611 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 18.9 mt -61.25 -42.31 98.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.848 . . . . 0.31 109.625 -179.763 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.62 -37.16 77.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.226 -0.921 . . . . 1.91 109.466 179.921 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 33.4 tp -64.03 -40.88 97.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.313 -0.867 . . . . 0.43 109.325 -179.964 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.0 -50.33 72.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.796 -0.816 . . . . 1.57 108.796 179.677 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -31.38 64.06 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.609 -0.682 . . . . 1.44 109.624 179.746 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.0 79.39 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.64 109.519 -179.9 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -82.8 -8.65 59.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.215 -0.928 . . . . 1.21 109.569 179.877 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.41 -88.38 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.163 -0.961 . . . . 1.22 109.149 179.795 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.73 103.27 1.62 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.376 -1.49 . . . . 1.5 109.376 179.761 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -85.91 -153.67 0.19 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.186 -1.185 . . . . 4.18 109.423 -179.932 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.21 133.95 16.39 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.218 -0.926 . . . . 5.67 109.204 -179.95 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.8 123.61 13.32 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.044 1.83 . . . . 5.65 110.157 -179.862 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 N-CA-C 109.5 -1.44 . . . . 7.27 109.5 179.946 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 320' ' ' LYS . 20.8 mttt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.33 -0.618 . . . . 7.33 109.33 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 319' ' ' LYS . 0.1 OUTLIER 59.08 111.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.322 -0.861 . . . . 7.21 109.2 -179.775 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 14.5 mttm 59.06 94.07 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.849 . . . . 6.47 109.389 179.976 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.8 -80.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 121.956 1.771 . . . . 4.53 109.964 179.892 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.79 113.85 20.02 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.893 . . . . 4.35 109.52 179.811 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.78 161.75 25.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 2.48 109.326 179.813 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.58 153.35 52.89 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.376 -1.489 . . . . 0.98 109.376 179.917 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.26 131.32 50.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.204 -1.174 . . . . 1.7 109.461 -179.684 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -94.82 154.43 17.26 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.236 -0.915 . . . . 0.61 109.505 -179.92 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 90.6 m-85 -138.14 -169.39 2.56 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.164 -0.96 . . . . 0.58 109.675 179.93 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 328' ' ' PHE . 1.2 p -154.0 157.5 39.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -0.873 . . . . 0.42 109.226 -179.757 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.7 tp -149.26 130.28 14.4 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.18 -0.95 . . . . 0.36 109.388 -179.941 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 2.4 tt0 -86.61 132.76 33.81 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 1.37 109.369 179.794 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.595 HD12 ' CD1' ' A' ' 338' ' ' PHE . 28.4 mt -124.11 116.17 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.179 -0.951 . . . . 0.47 109.555 179.768 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.07 139.04 42.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.482 -0.761 . . . . 2.1 109.174 179.671 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.77 134.72 7.48 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.754 -1.338 . . . . 0.42 109.754 179.868 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.482 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 0.1 OUTLIER -77.38 -63.35 1.39 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.243 -1.151 . . . . 2.68 109.34 -179.924 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.13 -38.21 76.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.391 -0.818 . . . . 2.22 109.819 -179.652 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.775 HH12 HD22 ' C' ' 348' ' ' LEU . 11.1 tpp180 -63.06 -46.1 89.05 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.236 -0.915 . . . . 2.77 109.548 -179.867 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.595 ' CD1' HD12 ' A' ' 332' ' ' ILE . 53.9 t80 -53.47 -51.05 63.98 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.313 -0.867 . . . . 0.43 109.677 -179.861 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -52.49 -39.21 60.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.31 -0.869 . . . . 1.66 110.06 -179.735 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.5 ttp -61.89 -47.97 82.58 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.186 -0.946 . . . . 0.44 110.232 -179.115 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' C' ' 348' ' ' LEU . 25.0 m-85 -60.34 -54.55 44.27 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.166 -0.959 . . . . 0.29 109.239 -179.808 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.25 -36.32 30.69 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.357 -0.839 . . . . 2.44 109.367 179.693 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.31 -48.35 81.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.333 -0.854 . . . . 1.74 109.707 -179.896 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.63 -40.64 92.68 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.263 -0.898 . . . . 0.3 109.407 -179.534 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.438 ' HA ' ' CZ ' ' C' ' 341' ' ' PHE . 44.4 t30 -58.11 -47.74 82.33 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.327 -0.858 . . . . 1.22 109.491 179.749 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.09 -35.2 79.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.357 -0.84 . . . . 1.72 109.872 -179.656 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.61 -49.36 77.84 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 0.27 109.839 -179.709 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.884 HD22 HH12 ' C' ' 337' ' ' ARG . 46.5 mt -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.295 -0.878 . . . . 0.29 109.802 -179.82 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.4 -37.63 81.43 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.199 -0.938 . . . . 1.91 109.624 179.986 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.881 HD21 ' NE2' ' B' ' 354' ' ' GLN . 8.8 tp -63.87 -44.19 93.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.41 109.667 -179.593 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.43 ' HA ' HD22 ' B' ' 350' ' ' LEU . 35.0 ttmt -62.26 -42.42 99.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.348 -0.845 . . . . 1.56 109.063 179.986 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.86 -32.03 63.29 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.601 -0.687 . . . . 1.43 109.546 179.725 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.96 81.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.214 -0.929 . . . . 0.66 109.525 -179.939 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.806 ' NE2' HD21 ' B' ' 350' ' ' LEU . 0.9 OUTLIER -81.27 -2.66 49.78 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 1.18 109.595 179.929 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -62.17 1.49 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.139 -0.975 . . . . 1.23 109.421 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.24 -1.05 63.02 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.864 -1.294 . . . . 1.54 109.864 -179.858 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.69 129.07 35.01 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.102 -1.234 . . . . 4.18 109.463 179.907 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.16 145.01 7.41 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 5.71 109.459 -179.748 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.39 -3.05 9.32 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.235 1.957 . . . . 5.61 110.862 -179.905 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 N-CA-C 109.42 -1.472 . . . . 7.24 109.42 -179.978 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 320' ' ' LYS . 20.6 mttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.361 0.6 . . . . 7.34 109.405 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 319' ' ' LYS . 0.1 OUTLIER 59.09 111.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 7.17 109.284 -179.835 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 14.4 mttm 59.19 94.03 0.05 OUTLIER Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.363 -0.835 . . . . 6.44 109.29 179.962 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.64 -81.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.035 1.823 . . . . 4.54 109.911 179.882 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.66 113.64 19.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.238 -0.914 . . . . 4.32 109.68 179.749 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.76 161.51 25.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 2.47 109.455 179.774 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.1 153.38 52.9 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.525 -1.43 . . . . 0.95 109.525 179.875 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.45 131.21 50.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.161 -1.199 . . . . 1.61 109.524 -179.864 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -94.84 154.41 17.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.207 -0.933 . . . . 0.57 109.49 -179.873 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 91.5 m-85 -138.2 -169.4 2.57 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.151 -0.968 . . . . 0.53 109.741 179.878 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.432 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 1.2 p -153.9 157.62 39.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.285 -0.884 . . . . 0.38 109.276 -179.742 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.6 tp -149.33 130.22 14.27 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.36 109.537 -179.983 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.59 132.45 33.9 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -0.871 . . . . 1.36 109.434 179.968 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.601 HD12 ' CD1' ' B' ' 338' ' ' PHE . 27.7 mt -124.06 115.98 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.49 109.594 179.913 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.77 139.31 43.25 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.454 -0.779 . . . . 2.1 109.267 179.684 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.41 134.93 7.63 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.766 -1.333 . . . . 0.44 109.766 179.908 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 0.1 OUTLIER -77.46 -63.47 1.37 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.349 -1.089 . . . . 2.72 109.339 179.918 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.93 -38.47 75.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.435 -0.79 . . . . 2.21 109.84 -179.62 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.742 HH12 HD22 ' D' ' 348' ' ' LEU . 11.2 tpp180 -62.95 -46.02 89.74 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.252 -0.905 . . . . 2.79 109.635 -179.816 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.601 ' CD1' HD12 ' B' ' 332' ' ' ILE . 53.9 t80 -53.55 -51.03 64.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.298 -0.876 . . . . 0.45 109.719 -179.884 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.43 -39.2 60.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.904 . . . . 1.68 110.095 -179.85 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 20.3 ttp -61.79 -47.93 82.9 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.104 -0.998 . . . . 0.43 110.31 -179.151 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.659 ' CZ ' HD12 ' D' ' 348' ' ' LEU . 24.8 m-85 -60.48 -54.68 42.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.28 109.06 -179.8 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.07 -36.58 29.84 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.52 109.39 179.769 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.16 -48.27 82.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.269 -0.894 . . . . 1.75 109.782 -179.953 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.58 -40.58 92.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.31 109.427 -179.553 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.441 ' HB2' HD21 ' D' ' 330' ' ' LEU . 43.8 t30 -58.21 -48.03 81.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.276 -0.89 . . . . 1.21 109.455 179.721 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.8 -35.15 78.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.409 -0.807 . . . . 1.69 110.054 -179.718 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.809 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.66 -49.49 77.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.27 109.757 -179.743 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.802 HD22 HH12 ' D' ' 337' ' ' ARG . 48.2 mt -62.14 -41.36 98.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.169 -0.957 . . . . 0.3 109.614 -179.641 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -60.44 -37.61 81.49 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.236 -0.915 . . . . 1.93 109.701 -179.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.806 HD21 ' NE2' ' A' ' 354' ' ' GLN . 8.8 tp -63.91 -44.15 93.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.4 109.661 -179.716 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -62.25 -42.67 99.53 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.217 -0.927 . . . . 1.59 108.961 179.965 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.64 -32.1 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.574 -0.703 . . . . 1.43 109.558 179.732 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.84 81.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.285 -0.885 . . . . 0.65 109.539 -179.812 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.881 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.9 OUTLIER -81.21 -2.78 50.03 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.264 -0.897 . . . . 1.19 109.664 179.835 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.07 -62.31 1.43 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.142 -0.974 . . . . 1.22 109.445 -179.98 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.1 -1.1 62.49 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.839 -1.304 . . . . 1.53 109.839 -179.785 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' B' ' 354' ' ' GLN . 0.0 OUTLIER -86.66 129.12 34.99 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.097 -1.237 . . . . 4.21 109.379 179.881 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' B' ' 359' ' ' PRO . 2.0 mt-10 -49.31 145.05 7.82 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.211 -0.931 . . . . 5.68 109.462 -179.825 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 358' ' ' GLU . 1.1 Cg_endo -67.36 -3.13 9.43 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.148 1.899 . . . . 5.57 110.813 -179.966 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.42 -1.472 . . . . 7.2 109.42 -179.928 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 320' ' ' LYS . 20.8 mttt . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.423 0.63 . . . . 8.96 109.383 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' C' ' 319' ' ' LYS . 0.1 OUTLIER 59.07 111.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 8.15 109.242 -179.879 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 58.95 94.11 0.05 OUTLIER Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 7.15 109.427 -179.943 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.73 -81.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.027 1.818 . . . . 4.35 109.885 179.953 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.78 113.58 19.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -0.901 . . . . 4.63 109.581 179.896 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.78 161.65 25.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.197 -0.94 . . . . 2.85 109.273 179.867 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.22 153.39 52.91 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.455 -1.458 . . . . 1.12 109.455 179.862 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -59.38 131.27 50.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.105 -1.232 . . . . 2.11 109.503 -179.813 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -94.81 154.24 17.36 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.297 -0.877 . . . . 0.64 109.481 -179.89 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 91.0 m-85 -138.03 -169.44 2.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.134 -0.979 . . . . 0.49 109.665 179.967 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.418 HG23 ' O ' ' C' ' 328' ' ' PHE . 1.3 p -154.01 157.54 39.22 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.332 -0.855 . . . . 0.47 109.283 -179.842 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 17.7 tp -149.32 130.06 14.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.161 -0.962 . . . . 0.42 109.464 -179.956 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.43 132.57 33.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.302 -0.874 . . . . 1.81 109.423 179.909 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.592 HD12 ' CD1' ' C' ' 338' ' ' PHE . 27.3 mt -123.94 116.11 47.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 O-C-N 121.205 -0.934 . . . . 0.42 109.582 179.868 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.0 139.08 42.66 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.375 -0.828 . . . . 2.35 109.244 179.576 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.72 134.94 7.56 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.725 -1.35 . . . . 0.41 109.725 179.898 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 0.1 OUTLIER -77.66 -63.24 1.43 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.316 -1.108 . . . . 2.59 109.392 179.933 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.14 -38.17 76.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.367 -0.833 . . . . 2.54 109.769 -179.659 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.884 HH12 HD22 ' A' ' 348' ' ' LEU . 11.2 tpp180 -63.23 -46.1 88.5 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.206 -0.934 . . . . 3.39 109.58 -179.835 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.592 ' CD1' HD12 ' C' ' 332' ' ' ILE . 53.6 t80 -53.52 -50.95 64.35 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.367 -0.833 . . . . 0.47 109.68 -179.856 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -52.49 -39.16 60.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.352 -0.842 . . . . 1.66 110.108 -179.767 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -62.02 -47.78 83.25 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.233 -0.917 . . . . 0.61 110.238 -179.106 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.666 ' CZ ' HD12 ' A' ' 348' ' ' LEU . 25.2 m-85 -60.52 -54.67 42.68 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.33 109.176 -179.858 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -50.08 -36.39 29.1 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.372 -0.83 . . . . 3.28 109.363 179.733 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -48.42 81.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 1.78 109.777 179.999 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' D' ' 344' ' ' LEU . 91.1 mt -60.28 -40.61 91.04 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.28 -0.888 . . . . 0.38 109.472 -179.574 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.404 ' HB2' HD21 ' A' ' 330' ' ' LEU . 43.6 t30 -58.33 -47.96 82.07 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.339 -0.851 . . . . 1.2 109.485 179.757 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.64 -35.46 79.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.343 -0.848 . . . . 2.12 109.913 -179.795 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.48 -49.51 77.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.264 -0.898 . . . . 0.26 109.822 -179.652 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.775 HD22 HH12 ' A' ' 337' ' ' ARG . 49.0 mt -62.2 -41.34 98.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.344 -0.848 . . . . 0.4 109.635 -179.624 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.44 -37.47 81.03 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.242 -0.911 . . . . 2.09 109.634 -179.955 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.723 HD21 ' NE2' ' D' ' 354' ' ' GLN . 8.8 tp -64.0 -44.29 93.08 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.75 109.73 -179.666 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -62.19 -42.43 99.27 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.277 -0.889 . . . . 2.19 109.003 179.951 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.83 -32.06 63.25 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.599 -0.688 . . . . 1.34 109.544 179.724 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.1 -43.83 81.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.274 -0.891 . . . . 0.72 109.524 -179.872 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.92 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.9 OUTLIER -81.21 -2.81 50.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.884 . . . . 1.8 109.703 179.876 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.12 -62.13 1.51 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.084 -1.01 . . . . 1.39 109.468 -179.967 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.22 -1.03 62.88 Favored Glycine 0 N--CA 1.488 2.141 0 N-CA-C 109.881 -1.288 . . . . 1.66 109.881 -179.932 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' C' ' 354' ' ' GLN . 0.0 OUTLIER -86.87 129.15 35.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.13 -1.218 . . . . 4.45 109.279 179.928 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -49.24 145.08 7.59 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.932 . . . . 6.19 109.524 -179.798 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -67.5 -2.94 9.21 Favored 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.147 1.898 . . . . 5.58 110.795 -179.868 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.418 -1.473 . . . . 6.9 109.418 -179.977 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' D' ' 320' ' ' LYS . 21.2 mttt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.353 -0.61 . . . . 7.36 109.353 . . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' D' ' 319' ' ' LYS . 0.1 OUTLIER 58.91 111.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.865 . . . . 7.15 109.316 -179.749 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 14.5 mttm 59.17 94.13 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 6.5 109.313 179.954 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.72 -81.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.088 1.859 . . . . 4.5 109.904 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.74 113.57 19.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.888 . . . . 4.32 109.595 179.939 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.68 161.69 25.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 2.46 109.427 179.895 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.36 153.37 52.9 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.292 -1.523 . . . . 0.97 109.292 179.948 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -59.44 131.29 50.53 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.238 -1.154 . . . . 1.67 109.545 -179.86 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -94.86 154.44 17.24 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.257 -0.902 . . . . 0.61 109.505 -179.859 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 91.2 m-85 -138.26 -169.34 2.56 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.237 -0.914 . . . . 0.56 109.595 179.976 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.452 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 1.2 p -154.09 157.49 39.04 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.353 -0.842 . . . . 0.43 109.277 -179.695 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.6 tp -149.31 130.16 14.24 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.099 -1.0 . . . . 0.35 109.5 -179.935 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -86.51 132.7 33.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 1.37 109.401 179.927 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.593 HD12 ' CD1' ' D' ' 338' ' ' PHE . 27.8 mt -124.07 116.2 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.186 -0.946 . . . . 0.48 109.572 179.823 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.96 139.13 42.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 2.08 109.181 179.648 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 107.56 134.6 7.5 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.706 -1.358 . . . . 0.4 109.706 179.826 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 0.1 OUTLIER -77.34 -63.53 1.35 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.316 -1.108 . . . . 2.64 109.292 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.88 -38.32 75.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.371 -0.831 . . . . 2.22 109.833 -179.612 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.802 HH12 HD22 ' B' ' 348' ' ' LEU . 11.2 tpp180 -63.06 -46.15 88.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.227 -0.92 . . . . 2.74 109.56 -179.886 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.593 ' CD1' HD12 ' D' ' 332' ' ' ILE . 54.3 t80 -53.43 -50.93 64.17 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.349 -0.844 . . . . 0.43 109.729 -179.93 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -52.58 -39.15 61.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.301 -0.875 . . . . 1.69 110.016 -179.732 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.4 ttp -61.9 -47.99 82.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.238 -0.914 . . . . 0.43 110.3 -179.094 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.662 ' CZ ' HD12 ' B' ' 348' ' ' LEU . 25.0 m-85 -60.35 -54.57 44.05 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.145 -0.972 . . . . 0.27 109.224 -179.918 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -50.2 -36.51 31.0 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.501 -0.749 . . . . 2.45 109.304 179.697 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.27 -48.22 82.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.259 -0.901 . . . . 1.75 109.713 -179.888 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.564 HD22 HD22 ' C' ' 344' ' ' LEU . 91.6 mt -60.67 -40.56 92.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.315 -0.865 . . . . 0.31 109.413 -179.52 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.429 ' HB2' HD21 ' B' ' 330' ' ' LEU . 44.3 t30 -58.31 -47.8 82.55 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.304 -0.872 . . . . 1.22 109.507 179.802 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -35.29 79.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 1.73 109.868 -179.782 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.919 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.52 -49.58 76.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.112 -0.992 . . . . 0.28 109.84 -179.698 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.742 HD22 HH12 ' B' ' 337' ' ' ARG . 49.3 mt -62.16 -41.26 98.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.31 109.692 -179.715 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.51 -37.42 81.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.139 -0.976 . . . . 1.91 109.746 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.92 HD21 ' NE2' ' C' ' 354' ' ' GLN . 8.9 tp -63.94 -44.3 93.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.312 -0.867 . . . . 0.43 109.711 -179.806 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -62.22 -42.61 99.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.259 -0.901 . . . . 1.57 109.016 179.923 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.71 -31.98 62.94 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.537 -0.727 . . . . 1.44 109.57 179.698 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.98 81.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.91 . . . . 0.64 109.489 -179.878 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.723 ' NE2' HD21 ' C' ' 350' ' ' LEU . 1.0 OUTLIER -81.14 -2.71 49.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.228 -0.92 . . . . 1.21 109.693 179.898 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.18 -62.2 1.48 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.113 -0.992 . . . . 1.22 109.437 -179.963 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -75.23 -0.94 62.69 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.856 -1.298 . . . . 1.5 109.856 -179.856 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 129.03 35.04 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -1.212 . . . . 4.18 109.34 179.934 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' D' ' 359' ' ' PRO . 2.0 mt-10 -49.24 145.14 7.51 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.254 -0.904 . . . . 5.67 109.541 -179.751 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' ' 358' ' ' GLU . 1.1 Cg_endo -67.63 -2.68 8.88 Favored 'Trans proline' 0 C--N 1.311 -1.421 0 C-N-CA 122.298 1.999 . . . . 5.65 110.845 -179.919 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.415 0 CA-C-O 117.9 -1.5 . . . . 7.27 109.44 -179.945 . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 320' ' ' LYS . 11.8 mttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.485 -0.561 . . . . 7.33 109.485 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 321' ' ' LYS . 20.4 tttt 70.46 -79.71 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.564 -0.71 . . . . 7.21 109.986 179.951 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 320' ' ' LYS . 12.0 pttm 42.93 75.14 0.67 Allowed Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 6.47 109.863 -179.73 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.406 ' HB2' ' OH ' ' A' ' 327' ' ' TYR . 5.2 Cg_endo -71.41 14.68 0.37 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.726 2.284 . . . . 4.53 111.472 179.488 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.77 34.42 0.44 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.538 -1.352 . . . . 4.35 110.401 -179.769 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.9 -80.11 0.13 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.051 -1.03 . . . . 2.48 109.515 179.886 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.54 143.0 37.99 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.753 -1.339 . . . . 0.98 109.753 -179.909 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.97 147.13 44.47 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.432 -1.04 . . . . 1.7 109.629 179.92 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.406 ' OH ' ' HB2' ' A' ' 322' ' ' PRO . 10.4 m-85 -94.87 154.68 17.12 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.3 -0.875 . . . . 0.61 109.453 179.897 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 67.3 m-85 -140.47 -171.89 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.284 -0.885 . . . . 0.58 109.58 -179.934 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.455 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 6.1 p -153.24 159.63 42.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.926 . . . . 0.42 109.383 -179.799 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' C' ' 345' ' ' ASN . 17.5 tp -149.1 130.59 14.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.36 109.597 -179.791 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.51 129.94 34.68 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.264 -0.898 . . . . 1.37 109.452 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 341' ' ' PHE . 41.4 mt -124.02 119.05 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.144 -0.973 . . . . 0.47 109.701 179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 12.9 ttt180 -74.02 154.29 39.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.1 109.5 179.774 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.456 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 85.69 137.11 4.21 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.876 -1.29 . . . . 0.42 109.876 179.679 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.54 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 3.4 ttt180 -80.91 -52.24 7.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -1.201 . . . . 2.68 109.388 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -58.02 -46.22 85.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.272 -0.893 . . . . 2.22 109.276 179.858 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.56 -40.87 93.18 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.303 -0.873 . . . . 2.77 109.337 179.918 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.442 ' CE1' ' O ' ' C' ' 329' ' ' THR . 41.4 t80 -55.39 -55.58 30.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 0.43 109.564 -179.948 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.22 -32.5 24.14 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.324 -0.86 . . . . 1.66 109.865 -179.788 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 343' ' ' GLU . 8.9 ttp -64.24 -50.81 66.52 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.2 -0.937 . . . . 0.44 109.953 -179.616 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.533 ' HB2' HD13 ' A' ' 332' ' ' ILE . 42.9 m-85 -61.14 -55.93 26.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.29 109.214 -179.931 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.22 -33.46 27.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.309 -0.869 . . . . 2.44 109.437 179.766 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 340' ' ' MET . 1.6 tt0 -61.27 -50.18 74.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.318 -0.864 . . . . 1.74 109.555 -179.892 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' B' ' 344' ' ' LEU . 87.9 mt -61.37 -35.04 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.355 -0.841 . . . . 0.3 108.967 179.728 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.469 ' HB2' HD21 ' C' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.45 65.67 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.504 -0.747 . . . . 1.22 109.435 179.599 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.81 -32.6 73.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.413 -0.804 . . . . 1.72 109.791 -179.866 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.48 -52.79 63.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.171 -0.956 . . . . 0.27 109.923 -179.692 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.425 HD12 ' HZ ' ' C' ' 341' ' ' PHE . 32.4 mt -61.16 -43.01 99.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.866 . . . . 0.29 109.544 -179.652 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.54 -35.62 74.58 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 1.91 109.658 -179.966 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.4 tt -64.81 -43.22 93.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.281 -0.887 . . . . 0.41 109.24 179.943 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' B' ' 350' ' ' LEU . 9.1 ttmm -61.43 -47.76 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.89 -0.782 . . . . 1.56 108.89 179.751 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.76 -30.88 65.96 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.504 -0.747 . . . . 1.43 109.352 179.574 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.99 -33.37 75.65 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.454 -0.779 . . . . 0.66 109.608 -179.817 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.65 -11.58 58.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 1.18 109.381 179.912 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.35 38.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 1.23 109.594 179.932 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.76 8.31 66.43 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.951 -1.26 . . . . 1.54 109.951 -179.75 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.92 -89.22 0.11 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.244 . . . . 4.18 109.484 -179.949 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -51.92 151.8 6.07 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.134 -0.979 . . . . 5.71 109.592 -179.977 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.7 141.9 92.29 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.124 1.882 . . . . 5.61 110.246 179.839 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.958 -1.468 . . . . 7.24 109.553 179.929 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' B' ' 320' ' ' LYS . 11.8 mttp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.437 -0.579 . . . . 7.34 109.437 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.536 ' O ' ' CG ' ' B' ' 321' ' ' LYS . 20.3 tttt 70.34 -79.67 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.467 -0.77 . . . . 7.17 109.997 179.889 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' B' ' 320' ' ' LYS . 12.1 pttm 42.97 75.1 0.67 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 6.44 109.857 -179.732 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.407 ' HB2' ' OH ' ' B' ' 327' ' ' TYR . 5.3 Cg_endo -71.23 14.53 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.794 2.329 . . . . 4.54 111.51 179.409 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.79 34.46 0.45 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.614 -1.303 . . . . 4.32 110.427 -179.701 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.98 -79.88 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.079 -1.013 . . . . 2.47 109.499 179.907 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.79 143.0 37.57 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.768 -1.333 . . . . 0.95 109.768 -179.916 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.88 147.24 43.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.442 -1.034 . . . . 1.61 109.558 179.954 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' B' ' 322' ' ' PRO . 10.3 m-85 -95.03 154.62 17.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.328 -0.857 . . . . 0.57 109.459 179.884 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 67.3 m-85 -140.35 -171.94 3.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.53 109.601 -179.888 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.45 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 6.1 p -153.2 159.71 42.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.38 109.431 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.498 HD21 ' HB2' ' D' ' 345' ' ' ASN . 17.4 tp -149.1 130.57 14.8 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.284 -0.885 . . . . 0.36 109.562 -179.718 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.46 129.9 34.69 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 1.36 109.499 -179.983 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' B' ' 341' ' ' PHE . 41.4 mt -124.04 118.97 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.08 -1.013 . . . . 0.49 109.682 179.948 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 12.9 ttt180 -73.97 154.28 39.39 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.197 -0.939 . . . . 2.1 109.508 179.785 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.47 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 85.66 137.09 4.19 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.855 -1.298 . . . . 0.44 109.855 179.677 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.539 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 3.4 ttt180 -80.8 -52.32 7.63 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -1.124 . . . . 2.72 109.444 179.816 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.98 -46.17 85.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 2.21 109.316 179.862 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -40.96 93.46 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.381 -0.824 . . . . 2.79 109.385 179.872 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' D' ' 329' ' ' THR . 41.5 t80 -55.16 -55.65 28.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.507 -0.745 . . . . 0.45 109.627 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -51.33 -32.46 25.46 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.359 -0.838 . . . . 1.68 109.812 -179.758 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.78 66.7 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.226 -0.921 . . . . 0.43 109.997 -179.668 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' B' ' 332' ' ' ILE . 42.7 m-85 -61.08 -55.96 26.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.352 -0.843 . . . . 0.28 109.226 -179.893 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.33 -33.32 28.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.406 -0.809 . . . . 2.52 109.464 179.792 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.28 -50.3 73.57 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.19 -0.944 . . . . 1.75 109.502 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.933 HD22 HD22 ' A' ' 344' ' ' LEU . 88.4 mt -61.32 -34.98 76.13 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.886 . . . . 0.31 109.029 179.704 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.489 ' HB2' HD21 ' D' ' 330' ' ' LEU . 12.5 t-20 -58.94 -52.42 65.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.402 -0.811 . . . . 1.21 109.318 179.608 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.9 -32.53 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.452 -0.78 . . . . 1.69 109.751 -179.775 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.837 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.65 -52.64 64.29 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.27 109.868 -179.619 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.44 HD12 ' HZ ' ' D' ' 341' ' ' PHE . 32.6 mt -61.22 -42.97 99.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.258 -0.901 . . . . 0.3 109.541 -179.727 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.54 -35.74 74.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.205 -0.934 . . . . 1.93 109.57 -179.951 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.699 ' O ' HD23 ' B' ' 350' ' ' LEU . 1.4 tt -64.87 -43.07 94.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.368 -0.832 . . . . 0.4 109.258 -179.954 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.416 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 9.2 ttmm -61.43 -47.8 84.1 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 108.891 -0.781 . . . . 1.59 108.891 179.746 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.71 -30.88 65.89 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.599 -0.688 . . . . 1.43 109.392 179.522 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.12 -33.32 75.52 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.65 109.52 -179.719 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.4 ' NE2' HD11 ' A' ' 350' ' ' LEU . 17.9 mt-30 -82.72 -11.52 58.26 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.217 -0.927 . . . . 1.19 109.352 179.923 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.04 -5.28 37.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.142 -0.974 . . . . 1.22 109.718 179.795 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.84 8.36 66.48 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.959 -1.257 . . . . 1.53 109.959 -179.759 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -85.9 -89.16 0.11 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.237 . . . . 4.21 109.53 -179.944 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.09 151.78 6.43 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.283 -0.886 . . . . 5.68 109.57 -179.97 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.64 141.9 92.63 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 122.188 1.925 . . . . 5.57 110.237 179.873 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.992 -1.449 . . . . 7.2 109.558 179.899 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' C' ' 320' ' ' LYS . 11.9 mttp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.434 -0.58 . . . . 8.96 109.434 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 321' ' ' LYS . 20.5 tttt 70.38 -79.55 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.552 -0.718 . . . . 8.15 109.971 179.92 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' C' ' 320' ' ' LYS . 12.1 pttm 42.85 75.16 0.66 Allowed Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 7.15 109.839 -179.706 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.404 ' HB2' ' OH ' ' C' ' 327' ' ' TYR . 5.2 Cg_endo -71.42 14.84 0.36 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.693 2.262 . . . . 4.35 111.536 179.42 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.89 34.45 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.694 -1.254 . . . . 4.63 110.374 -179.798 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.95 -80.0 0.14 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.136 -0.977 . . . . 2.85 109.55 179.807 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 143.08 38.03 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.74 -1.344 . . . . 1.12 109.74 -179.929 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.95 147.09 44.51 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.512 -0.993 . . . . 2.11 109.603 179.913 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' C' ' 322' ' ' PRO . 10.4 m-85 -94.87 154.62 17.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.64 109.585 179.804 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 67.8 m-85 -140.38 -171.93 3.32 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.105 -0.997 . . . . 0.49 109.636 -179.898 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.442 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 6.3 p -153.22 159.55 42.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.279 -0.888 . . . . 0.47 109.465 -179.834 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 345' ' ' ASN . 17.3 tp -149.08 130.67 14.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.42 109.541 -179.789 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.5 129.89 34.7 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -0.874 . . . . 1.81 109.487 -179.996 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.548 HD13 ' HB2' ' C' ' 341' ' ' PHE . 41.9 mt -124.07 119.02 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.187 -0.946 . . . . 0.42 109.679 179.899 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 12.9 ttt180 -73.99 154.37 39.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 2.35 109.567 179.748 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.46 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 85.59 137.07 4.14 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.917 -1.273 . . . . 0.41 109.917 179.78 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.508 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 3.4 ttt180 -80.77 -52.39 7.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -1.106 . . . . 2.59 109.437 179.802 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.92 -46.27 85.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.317 -0.864 . . . . 2.54 109.225 179.899 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -40.99 93.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.31 -0.869 . . . . 3.39 109.284 179.952 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.455 ' CE1' ' O ' ' A' ' 329' ' ' THR . 41.8 t80 -55.18 -55.67 28.57 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.385 -0.822 . . . . 0.47 109.579 -179.937 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -51.36 -32.4 25.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 1.66 109.849 -179.718 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.409 ' O ' ' HB3' ' C' ' 343' ' ' GLU . 8.8 ttp -64.23 -50.74 66.83 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.139 -0.976 . . . . 0.61 110.01 -179.682 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.548 ' HB2' HD13 ' C' ' 332' ' ' ILE . 42.8 m-85 -61.07 -56.08 25.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.225 -0.922 . . . . 0.33 109.172 -179.956 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.09 -33.38 25.82 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.381 -0.824 . . . . 3.28 109.553 179.749 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' C' ' 340' ' ' MET . 1.6 tt0 -61.34 -50.21 73.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.253 -0.904 . . . . 1.78 109.519 -179.889 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' D' ' 344' ' ' LEU . 87.8 mt -61.49 -34.8 76.09 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.226 -0.921 . . . . 0.38 109.0 179.815 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' A' ' 330' ' ' LEU . 12.5 t-20 -59.01 -52.43 65.81 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.382 -0.823 . . . . 1.2 109.422 179.487 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.76 -32.68 73.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.371 -0.831 . . . . 2.12 109.817 -179.89 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.52 -52.68 64.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.202 -0.936 . . . . 0.26 109.942 -179.658 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.426 HD12 ' HZ ' ' A' ' 341' ' ' PHE . 32.8 mt -61.31 -42.89 99.41 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.343 -0.848 . . . . 0.4 109.571 -179.726 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.49 -35.71 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 2.09 109.598 179.953 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.705 ' O ' HD23 ' C' ' 350' ' ' LEU . 1.4 tt -64.92 -43.08 93.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.75 109.278 -179.941 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -61.33 -47.78 84.33 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.45 -0.781 . . . . 2.19 108.992 179.626 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.79 -30.81 65.98 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.567 -0.708 . . . . 1.34 109.408 179.549 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -33.31 75.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.469 -0.769 . . . . 0.72 109.524 -179.773 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.486 ' NE2' HD11 ' D' ' 350' ' ' LEU . 18.1 mt-30 -82.62 -11.62 58.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 1.8 109.376 179.864 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.02 -5.29 37.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.928 . . . . 1.39 109.64 179.865 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.82 8.25 66.83 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.905 -1.278 . . . . 1.66 109.905 -179.678 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.83 -89.18 0.11 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.09 -1.241 . . . . 4.45 109.504 -179.933 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -51.91 151.86 5.99 Favored Pre-proline 0 N--CA 1.493 1.696 0 O-C-N 121.222 -0.924 . . . . 6.19 109.552 179.988 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -61.77 141.88 91.86 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.139 1.893 . . . . 5.58 110.246 179.833 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.01 -1.439 . . . . 6.9 109.517 179.921 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' D' ' 320' ' ' LYS . 11.8 mttp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.495 -0.557 . . . . 7.36 109.495 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 321' ' ' LYS . 20.4 tttt 70.3 -79.56 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.55 -0.719 . . . . 7.15 109.958 179.879 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' D' ' 320' ' ' LYS . 12.1 pttm 42.74 75.16 0.66 Allowed Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.229 -0.92 . . . . 6.5 109.913 -179.634 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.407 ' HB2' ' OH ' ' D' ' 327' ' ' TYR . 5.2 Cg_endo -71.27 14.61 0.36 Allowed 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.721 2.281 . . . . 4.5 111.502 179.436 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.7 34.32 0.44 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.671 -1.268 . . . . 4.32 110.467 -179.746 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -79.89 -80.1 0.13 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.169 -0.957 . . . . 2.46 109.519 179.964 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.57 143.09 38.1 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.749 -1.34 . . . . 0.97 109.749 -179.93 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.93 147.19 44.1 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.471 -1.017 . . . . 1.67 109.575 179.894 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' D' ' 322' ' ' PRO . 10.4 m-85 -94.99 154.52 17.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.61 109.565 179.795 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 66.9 m-85 -140.32 -171.9 3.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.207 -0.933 . . . . 0.56 109.537 -179.873 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.412 HG23 ' O ' ' D' ' 328' ' ' PHE . 6.1 p -153.22 159.6 42.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.43 109.439 -179.819 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' B' ' 345' ' ' ASN . 17.2 tp -149.08 130.56 14.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.263 -0.898 . . . . 0.35 109.62 -179.804 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 129.96 34.67 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.343 -0.848 . . . . 1.37 109.517 179.96 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' D' ' 341' ' ' PHE . 40.8 mt -124.09 118.91 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.224 -0.923 . . . . 0.48 109.72 179.969 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 12.9 ttt180 -73.93 154.41 39.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.236 -0.915 . . . . 2.08 109.5 179.8 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.472 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 85.55 137.04 4.1 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.92 -1.272 . . . . 0.4 109.92 179.681 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 3.4 ttt180 -80.89 -52.2 7.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.31 -1.112 . . . . 2.64 109.372 179.932 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -58.04 -46.24 85.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.26 -0.9 . . . . 2.22 109.351 179.827 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -41.06 93.16 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.354 -0.841 . . . . 2.74 109.266 179.865 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.45 ' CE1' ' O ' ' B' ' 329' ' ' THR . 41.6 t80 -55.24 -55.64 29.03 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.304 -0.872 . . . . 0.43 109.551 -179.922 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -51.33 -32.4 25.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.314 -0.866 . . . . 1.69 109.81 -179.71 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.22 -50.87 66.34 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.153 -0.967 . . . . 0.43 109.936 -179.681 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.539 ' HB2' HD13 ' D' ' 332' ' ' ILE . 42.7 m-85 -61.09 -56.02 25.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.27 109.158 -179.862 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -51.23 -33.33 27.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 2.45 109.43 179.814 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -61.33 -50.26 73.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.203 -0.935 . . . . 1.75 109.494 -179.896 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.84 HD22 HD22 ' C' ' 344' ' ' LEU . 88.1 mt -61.44 -34.97 76.31 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.298 -0.876 . . . . 0.31 108.903 179.77 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.498 ' HB2' HD21 ' B' ' 330' ' ' LEU . 12.4 t-20 -58.85 -52.43 65.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.374 -0.829 . . . . 1.22 109.42 179.565 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.86 -32.54 73.79 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.49 -0.756 . . . . 1.73 109.756 -179.772 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.761 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.53 -52.79 63.68 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.28 109.927 -179.65 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.458 HD12 ' HZ ' ' B' ' 341' ' ' PHE . 32.1 mt -61.15 -42.89 99.37 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -0.937 . . . . 0.31 109.62 -179.719 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.68 -35.58 74.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.235 -0.916 . . . . 1.91 109.637 -179.996 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.701 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.5 tt -64.86 -43.16 93.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.345 -0.847 . . . . 0.43 109.145 -179.973 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -61.4 -47.82 84.04 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.38 -0.825 . . . . 1.57 108.953 179.711 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.76 -30.89 65.98 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.537 -0.727 . . . . 1.44 109.353 179.582 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.05 -33.37 75.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.367 -0.833 . . . . 0.64 109.608 -179.785 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -82.61 -11.45 58.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -0.941 . . . . 1.21 109.451 179.851 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.45 39.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.228 -0.92 . . . . 1.22 109.671 179.843 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.7 8.33 66.14 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.986 -1.246 . . . . 1.5 109.986 -179.746 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -85.95 -89.11 0.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.002 -1.293 . . . . 4.18 109.48 -179.982 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -51.98 151.81 6.18 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 5.67 109.554 -179.932 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -61.76 142.01 92.39 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.16 1.907 . . . . 5.65 110.26 179.848 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.484 -1.447 . . . . 7.27 109.484 179.979 . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.439 -0.578 . . . . 7.33 109.439 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 319' ' ' LYS . 5.1 mtmt 61.87 144.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.28 -0.888 . . . . 7.21 109.35 -179.877 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 323' ' ' LEU . 0.7 OUTLIER 57.7 96.93 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.185 -0.947 . . . . 6.47 109.215 -179.915 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.77 89.59 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.173 1.915 . . . . 4.53 110.553 -179.709 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' A' ' 321' ' ' LYS . 4.1 mm? -80.9 4.61 18.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.261 -0.899 . . . . 4.35 109.639 179.604 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -78.64 -166.33 0.86 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 2.48 109.439 -179.854 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.87 165.01 45.7 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.456 -1.458 . . . . 0.98 109.456 -179.847 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.83 139.61 56.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.318 -1.107 . . . . 1.7 109.613 -179.785 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 12.9 m-85 -93.13 159.52 15.25 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.23 -0.919 . . . . 0.61 109.439 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 96.3 m-85 -139.48 -169.91 2.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.273 -0.892 . . . . 0.58 109.493 -179.892 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' C' ' 330' ' ' LEU . 5.9 p -153.9 159.61 41.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.42 109.521 -179.776 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' C' ' 345' ' ' ASN . 9.4 tp -148.98 129.98 14.38 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.36 109.429 -179.855 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 43.1 tt0 -87.14 128.21 35.12 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.314 -0.866 . . . . 1.37 109.753 -179.929 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.565 HD13 ' HB2' ' A' ' 341' ' ' PHE . 29.3 mt -124.23 115.9 46.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.47 109.563 179.737 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' A' ' 334' ' ' GLY . 0.4 OUTLIER -73.88 150.71 40.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.155 -0.965 . . . . 2.1 109.568 179.929 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 95.12 133.6 7.34 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.768 -1.333 . . . . 0.42 109.768 179.824 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 52.0 ttt180 -76.85 -58.12 3.46 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.118 . . . . 2.68 109.356 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.99 -42.54 90.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.4 -0.813 . . . . 2.22 109.37 179.898 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.513 ' CZ ' ' HB3' ' C' ' 348' ' ' LEU . 0.9 OUTLIER -60.5 -46.62 89.46 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.296 -0.878 . . . . 2.77 109.424 -179.883 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.6 t80 -55.73 -51.34 67.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.43 109.606 179.923 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.56 20.87 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.276 -0.89 . . . . 1.66 109.702 -179.811 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -62.81 -49.8 73.5 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.256 -0.903 . . . . 0.44 109.865 -179.768 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.565 ' HB2' HD13 ' A' ' 332' ' ' ILE . 24.7 m-85 -60.95 -54.8 40.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.194 -0.941 . . . . 0.29 109.151 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.51 23.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.467 -0.771 . . . . 2.44 109.525 179.833 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.95 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.229 -0.919 . . . . 1.74 109.698 -179.891 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' B' ' 344' ' ' LEU . 97.3 mt -61.34 -33.97 74.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.189 -0.944 . . . . 0.3 109.103 179.971 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.642 ' HB2' HD21 ' C' ' 330' ' ' LEU . 11.7 t-20 -59.63 -51.13 71.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.355 -0.841 . . . . 1.22 109.464 179.741 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.432 -0.792 . . . . 1.72 109.759 -179.736 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.62 -47.79 84.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.263 -0.898 . . . . 0.27 110.045 -179.626 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.546 ' HB3' ' CZ ' ' C' ' 337' ' ' ARG . 57.0 mt -61.55 -45.38 94.39 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.29 109.784 -179.608 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.5 -35.3 75.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 1.91 109.634 179.92 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.85 -47.46 77.83 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.289 -0.882 . . . . 0.41 109.79 -179.82 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.68 -41.34 97.43 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.336 -0.852 . . . . 1.56 109.037 179.927 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.25 -34.33 68.5 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.65 -0.656 . . . . 1.43 109.565 179.644 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 357' ' ' LYS . . . -66.31 -41.54 89.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.356 -0.84 . . . . 0.66 109.354 -179.963 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.05 1.36 31.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.243 -0.91 . . . . 1.18 109.601 179.892 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.08 -77.89 0.08 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.281 -0.887 . . . . 1.23 109.715 -179.937 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.31 -0.33 36.75 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 110.209 -1.156 . . . . 1.54 110.209 -179.622 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 353' ' ' ALA . 4.9 tttt -85.16 124.34 31.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.035 -1.273 . . . . 4.18 109.219 179.947 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.3 106.51 0.6 Allowed Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.882 . . . . 5.71 109.584 -179.953 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.6 Cg_exo -60.42 144.58 99.52 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.987 1.791 . . . . 5.61 110.222 179.941 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 7.24 109.546 179.991 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 320' ' ' LYS . 21.1 mttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.415 -0.587 . . . . 7.34 109.415 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' B' ' 319' ' ' LYS . 5.1 mtmt 61.93 144.36 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.146 -0.972 . . . . 7.17 109.349 -179.923 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' B' ' 323' ' ' LEU . 0.7 OUTLIER 57.62 96.93 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 6.44 109.251 -179.79 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.71 89.55 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.098 1.865 . . . . 4.54 110.62 -179.803 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' B' ' 321' ' ' LYS . 4.1 mm? -80.94 4.74 18.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.225 -0.922 . . . . 4.32 109.617 179.633 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -78.72 -166.55 0.9 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.142 -0.973 . . . . 2.47 109.484 -179.982 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.41 164.98 44.27 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.508 -1.437 . . . . 0.95 109.508 -179.948 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.81 139.71 56.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.222 -1.164 . . . . 1.61 109.552 -179.929 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 12.5 m-85 -93.16 159.46 15.28 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -0.916 . . . . 0.57 109.469 179.869 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 96.2 m-85 -139.47 -169.89 2.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.105 -0.997 . . . . 0.53 109.574 -179.916 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' D' ' 330' ' ' LEU . 5.8 p -153.96 159.62 41.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.187 -0.946 . . . . 0.38 109.488 -179.837 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' D' ' 345' ' ' ASN . 9.4 tp -148.98 130.02 14.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.36 109.402 -179.885 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 43.1 tt0 -87.09 128.25 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 1.36 109.751 -179.917 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.564 HD13 ' HB2' ' B' ' 341' ' ' PHE . 29.4 mt -124.22 115.87 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.299 -0.876 . . . . 0.49 109.534 179.728 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.507 ' HG2' ' N ' ' B' ' 334' ' ' GLY . 0.4 OUTLIER -73.79 150.72 40.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.202 -0.936 . . . . 2.1 109.631 179.831 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.507 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 95.03 133.66 7.33 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.715 -1.354 . . . . 0.44 109.715 179.746 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.485 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 52.1 ttt180 -76.79 -58.08 3.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.296 -1.12 . . . . 2.72 109.442 179.882 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.9 -42.67 90.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.243 -0.911 . . . . 2.21 109.394 179.795 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' D' ' 348' ' ' LEU . 0.9 OUTLIER -60.47 -46.63 89.39 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.267 -0.896 . . . . 2.79 109.439 -179.887 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.4 t80 -55.74 -51.41 67.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.45 109.529 -179.984 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.79 -34.64 20.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.338 -0.851 . . . . 1.68 109.661 -179.846 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 11.3 ttp -62.87 -49.71 73.79 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.102 -0.999 . . . . 0.43 109.803 -179.664 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.564 ' HB2' HD13 ' B' ' 332' ' ' ILE . 24.6 m-85 -61.04 -54.82 40.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.204 -0.935 . . . . 0.28 109.087 -179.976 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.25 -34.55 23.5 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.443 -0.785 . . . . 2.52 109.484 179.896 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.86 -51.92 67.24 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.234 -0.916 . . . . 1.75 109.783 -179.894 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.745 HD22 HD22 ' A' ' 344' ' ' LEU . 97.4 mt -61.25 -34.05 74.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.229 -0.919 . . . . 0.31 109.058 179.935 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.62 ' HB2' HD21 ' D' ' 330' ' ' LEU . 11.7 t-20 -59.59 -51.18 70.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.428 -0.795 . . . . 1.21 109.482 179.755 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.66 81.08 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.356 -0.84 . . . . 1.69 109.773 -179.742 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.891 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.7 -47.74 84.9 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.273 -0.892 . . . . 0.27 109.993 -179.568 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.539 ' HB3' ' CZ ' ' D' ' 337' ' ' ARG . 57.0 mt -61.5 -45.49 93.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.3 109.829 -179.661 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.43 -35.33 75.58 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.237 -0.915 . . . . 1.93 109.731 179.913 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.84 -47.41 78.06 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.4 109.715 -179.731 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.69 -41.42 97.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 1.59 108.994 179.929 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.12 -34.45 68.38 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.47 -0.769 . . . . 1.43 109.506 179.627 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' B' ' 357' ' ' LYS . . . -66.45 -41.47 89.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.65 109.271 -179.79 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.11 1.45 31.68 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.818 . . . . 1.19 109.622 179.853 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.06 -77.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.153 -0.967 . . . . 1.22 109.797 -179.978 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.43 -0.3 37.59 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 110.256 -1.138 . . . . 1.53 110.256 -179.667 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' B' ' 353' ' ' ALA . 4.9 tttt -85.21 124.48 31.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.074 -1.251 . . . . 4.21 109.276 179.876 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.46 106.57 0.61 Allowed Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.313 -0.867 . . . . 5.68 109.553 -179.844 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.7 Cg_exo -60.37 144.58 99.51 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 121.958 1.772 . . . . 5.57 110.242 179.932 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 CA-C-O 118.024 -1.431 . . . . 7.2 109.552 -179.999 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.354 0.597 . . . . 8.96 109.434 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' C' ' 319' ' ' LYS . 5.0 mtmt 61.92 144.43 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.132 -0.98 . . . . 8.15 109.251 179.981 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.535 ' O ' ' CD2' ' C' ' 323' ' ' LEU . 0.7 OUTLIER 57.61 96.91 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.204 -0.935 . . . . 7.15 109.296 -179.872 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.85 89.68 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.139 1.893 . . . . 4.35 110.525 -179.662 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' C' ' 321' ' ' LYS . 4.1 mm? -80.95 4.71 18.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.947 . . . . 4.63 109.59 179.57 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -78.76 -166.46 0.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.251 -0.906 . . . . 2.85 109.4 -179.913 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.6 164.99 44.86 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.456 -1.457 . . . . 1.12 109.456 -179.834 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.77 139.8 55.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -1.11 . . . . 2.11 109.634 -179.95 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' C' ' 327' ' ' TYR . 13.0 m-85 -93.25 159.44 15.27 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.237 -0.914 . . . . 0.64 109.453 179.904 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 96.1 m-85 -139.41 -169.99 2.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 0.49 109.524 -179.939 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.44 HG23 ' O ' ' C' ' 328' ' ' PHE . 6.0 p -153.81 159.62 41.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.321 -0.862 . . . . 0.47 109.539 -179.851 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 345' ' ' ASN . 9.4 tp -148.92 130.0 14.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.42 109.446 -179.864 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.06 128.26 35.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.231 -0.918 . . . . 1.81 109.773 -179.926 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' C' ' 341' ' ' PHE . 29.4 mt -124.27 115.76 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.42 109.598 179.748 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.51 ' HG2' ' N ' ' C' ' 334' ' ' GLY . 0.4 OUTLIER -73.71 150.66 41.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 2.35 109.621 179.953 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.51 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 95.01 133.71 7.35 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.731 -1.348 . . . . 0.41 109.731 179.719 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.592 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 52.2 ttt180 -76.77 -58.18 3.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.227 -1.161 . . . . 2.59 109.399 179.922 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.79 -42.78 89.85 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -0.888 . . . . 2.54 109.369 179.839 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.546 ' CZ ' ' HB3' ' A' ' 348' ' ' LEU . 0.9 OUTLIER -60.43 -46.54 89.64 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.373 -0.829 . . . . 3.39 109.451 -179.829 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.426 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.5 t80 -55.79 -51.33 67.82 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.37 -0.831 . . . . 0.47 109.606 179.958 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.92 -34.45 20.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 1.66 109.781 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.95 -49.73 73.58 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.131 -0.981 . . . . 0.61 109.794 -179.741 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' C' ' 332' ' ' ILE . 24.9 m-85 -60.95 -54.85 39.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.147 -0.97 . . . . 0.33 109.169 179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.19 -34.54 23.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.382 -0.824 . . . . 3.28 109.591 179.778 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.93 -51.85 67.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.303 -0.873 . . . . 1.78 109.758 -179.87 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' D' ' 344' ' ' LEU . 97.4 mt -61.21 -34.13 74.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.38 109.153 179.814 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.681 ' HB2' HD21 ' A' ' 330' ' ' LEU . 11.7 t-20 -59.56 -51.16 71.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.49 -0.756 . . . . 1.2 109.535 179.71 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -35.65 81.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.349 -0.844 . . . . 2.12 109.781 -179.733 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.61 -47.8 84.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.332 -0.855 . . . . 0.26 109.996 -179.675 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 337' ' ' ARG . 57.5 mt -61.52 -45.46 94.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.291 -0.881 . . . . 0.4 109.768 -179.544 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -60.48 -35.39 75.79 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.213 -0.929 . . . . 2.09 109.571 179.986 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.531 ' CD2' ' HG ' ' D' ' 350' ' ' LEU . 13.4 tp -64.85 -47.43 77.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.307 -0.871 . . . . 0.75 109.71 -179.681 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.67 -41.4 97.5 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.266 -0.897 . . . . 2.19 108.984 179.938 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -34.27 68.47 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.499 -0.75 . . . . 1.34 109.588 179.655 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' C' ' 357' ' ' LYS . . . -66.47 -41.36 89.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.72 109.378 -179.936 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.13 1.43 31.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.347 -0.845 . . . . 1.8 109.618 179.825 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.22 -77.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.39 109.732 -179.885 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.3 -0.42 37.12 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 110.278 -1.129 . . . . 1.66 110.278 -179.691 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' C' ' 353' ' ' ALA . 4.9 tttt -85.06 124.4 31.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.988 -1.301 . . . . 4.45 109.273 179.845 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.38 106.61 0.61 Allowed Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.211 -0.93 . . . . 6.19 109.553 -179.934 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.7 Cg_exo -60.43 144.55 99.52 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 C-N-CA 122.085 1.856 . . . . 5.58 110.242 179.945 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 CA-C-O 117.9 -1.5 . . . . 6.9 109.482 -179.95 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' D' ' 320' ' ' LYS . 21.0 mttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.42 -0.585 . . . . 7.36 109.42 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' D' ' 319' ' ' LYS . 5.0 mtmt 61.82 144.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.193 -0.942 . . . . 7.15 109.306 -179.9 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' D' ' 323' ' ' LEU . 0.7 OUTLIER 57.63 97.0 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 6.5 109.159 -179.864 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -63.83 89.7 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 122.126 1.884 . . . . 4.5 110.605 -179.837 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.531 ' CD2' ' O ' ' D' ' 321' ' ' LYS . 4.1 mm? -81.0 4.71 18.7 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.178 -0.951 . . . . 4.32 109.644 179.621 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -78.67 -166.43 0.88 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.27 -0.894 . . . . 2.46 109.473 -179.906 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.61 164.96 44.92 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.536 -1.426 . . . . 0.97 109.536 -179.93 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -58.76 139.7 55.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.274 -1.133 . . . . 1.67 109.65 -179.924 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 12.8 m-85 -93.25 159.51 15.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.267 -0.896 . . . . 0.61 109.284 -179.95 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 95.9 m-85 -139.49 -169.8 2.77 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.322 -0.861 . . . . 0.56 109.517 -179.94 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 5.8 p -153.94 159.63 41.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.43 109.428 -179.774 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 345' ' ' ASN . 9.4 tp -149.04 130.01 14.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.187 -0.946 . . . . 0.35 109.446 -179.969 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -87.15 128.24 35.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.177 -0.952 . . . . 1.37 109.704 -179.816 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' D' ' 341' ' ' PHE . 29.2 mt -124.18 115.85 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.48 109.537 179.8 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.516 ' HG2' ' N ' ' D' ' 334' ' ' GLY . 0.4 OUTLIER -73.81 150.68 40.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 2.08 109.639 179.857 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.516 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 95.05 133.73 7.37 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.789 -1.324 . . . . 0.4 109.789 179.798 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 52.0 ttt180 -76.92 -58.01 3.52 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.291 -1.123 . . . . 2.64 109.453 179.807 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.93 -42.73 90.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 2.22 109.429 179.793 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CZ ' ' HB3' ' B' ' 348' ' ' LEU . 0.9 OUTLIER -60.34 -46.69 89.01 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.335 -0.853 . . . . 2.74 109.385 -179.851 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.446 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.3 t80 -55.76 -51.37 67.64 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.347 -0.846 . . . . 0.43 109.555 -179.961 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -49.85 -34.52 20.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.378 -0.826 . . . . 1.69 109.745 -179.859 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttp -62.99 -49.64 73.89 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.186 -0.946 . . . . 0.43 109.766 -179.612 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.558 ' HB2' HD13 ' D' ' 332' ' ' ILE . 24.7 m-85 -60.93 -54.87 39.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.208 -0.932 . . . . 0.27 109.167 179.938 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -50.18 -34.59 23.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.445 -0.784 . . . . 2.45 109.555 179.824 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.89 -51.91 67.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 1.75 109.757 -179.863 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.886 HD22 HD22 ' C' ' 344' ' ' LEU . 96.8 mt -61.24 -34.02 74.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.31 109.1 179.899 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.672 ' HB2' HD21 ' B' ' 330' ' ' LEU . 11.7 t-20 -59.7 -51.11 71.2 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.519 -0.738 . . . . 1.22 109.509 179.751 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -35.72 81.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.323 -0.861 . . . . 1.73 109.743 -179.763 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 1.001 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.68 -47.76 84.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.28 110.03 -179.598 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 337' ' ' ARG . 57.2 mt -61.46 -45.47 94.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.901 . . . . 0.31 109.77 -179.63 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.58 -35.26 75.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.234 -0.916 . . . . 1.91 109.658 179.969 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.531 ' HG ' ' CD2' ' C' ' 350' ' ' LEU . 13.6 tp -64.88 -47.32 78.24 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.312 -0.867 . . . . 0.43 109.815 -179.838 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -61.6 -41.51 97.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.343 -0.848 . . . . 1.57 109.007 179.89 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.17 -34.33 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.536 -0.727 . . . . 1.44 109.572 179.683 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' D' ' 357' ' ' LYS . . . -66.35 -41.5 89.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.304 -0.872 . . . . 0.64 109.39 -179.92 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -81.08 1.42 31.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.381 -0.824 . . . . 1.21 109.67 179.83 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.13 -77.8 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.203 -0.936 . . . . 1.22 109.735 -179.918 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -71.34 -0.38 37.22 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 110.219 -1.152 . . . . 1.5 110.219 -179.66 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' D' ' 353' ' ' ALA . 4.8 tttt -85.15 124.4 31.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.021 -1.282 . . . . 4.18 109.319 179.901 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.43 106.54 0.6 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 5.67 109.584 -179.824 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.7 Cg_exo -60.34 144.56 99.51 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 121.993 1.796 . . . . 5.65 110.198 -179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.929 -1.484 . . . . 7.27 109.515 179.954 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . . . . . . . . . 77.0 mttt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.55 -0.537 . . . . 7.33 109.55 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.43 173.84 0.11 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.239 -0.913 . . . . 7.21 109.498 179.955 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 322' ' ' PRO . 0.2 OUTLIER 57.17 60.53 6.98 Favored Pre-proline 0 N--CA 1.491 1.575 0 O-C-N 121.296 -0.877 . . . . 6.47 109.596 179.962 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 321' ' ' LYS . 3.2 Cg_exo -61.53 89.23 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.045 1.83 . . . . 4.53 110.163 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.95 22.67 1.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.263 -0.898 . . . . 4.35 110.001 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -78.58 -90.4 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.299 -0.876 . . . . 2.48 109.905 -179.554 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.42 139.51 32.16 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.934 -1.266 . . . . 0.98 109.934 -179.472 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.58 149.82 37.96 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.493 -1.004 . . . . 1.7 109.451 179.597 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.9 m-85 -94.89 149.44 21.25 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.895 . . . . 0.61 109.506 179.846 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 69.4 m-85 -139.12 -168.98 2.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.296 -0.878 . . . . 0.58 109.772 -179.783 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 26.2 p -152.91 156.7 39.43 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.265 -0.897 . . . . 0.42 109.348 -179.721 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.05 136.21 19.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.15 -0.969 . . . . 0.36 109.634 -179.552 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' C' ' 328' ' ' PHE . 40.5 tt0 -86.53 132.19 33.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.386 -0.822 . . . . 1.37 109.149 179.625 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' A' ' 338' ' ' PHE . 44.2 mt -123.83 120.34 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.47 109.591 -179.896 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.91 152.37 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.337 -0.852 . . . . 2.1 109.51 179.869 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.06 2.65 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.776 -1.33 . . . . 0.42 109.776 179.657 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 11.7 ttm180 -81.94 -50.1 9.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -1.16 . . . . 2.68 109.452 179.787 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.58 -46.0 87.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.402 -0.811 . . . . 2.22 109.45 179.957 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.99 -41.26 96.13 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.314 -0.866 . . . . 2.77 109.385 -179.955 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' A' ' 332' ' ' ILE . 71.5 t80 -55.32 -56.51 19.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.535 -0.728 . . . . 0.43 109.721 -179.938 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.44 -35.43 39.55 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.374 -0.828 . . . . 1.66 110.027 -179.782 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.9 -47.22 84.21 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.245 -0.91 . . . . 0.44 109.871 -179.584 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.58 -49.15 77.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.272 -0.893 . . . . 0.29 109.24 -179.996 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.37 -40.32 58.93 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.369 -0.832 . . . . 2.44 109.65 179.783 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.63 -42.81 97.66 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 1.74 109.831 -179.693 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.08 -45.61 92.76 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.288 -0.883 . . . . 0.3 109.542 -179.753 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.87 -46.2 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.34 -0.85 . . . . 1.22 109.795 -179.953 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -35.97 80.74 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.337 -0.852 . . . . 1.72 109.789 -179.628 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -59.09 -53.02 63.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.188 -0.945 . . . . 0.27 109.696 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.58 -36.3 80.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.368 -0.832 . . . . 0.29 109.258 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.323 -0.86 . . . . 1.91 109.535 179.914 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.422 HD21 ' NE2' ' B' ' 354' ' ' GLN . 19.7 tp -63.29 -43.94 96.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.24 -0.912 . . . . 0.41 109.454 -179.928 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -61.77 -47.55 84.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.346 -0.846 . . . . 1.56 109.033 179.844 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.44 -28.6 59.99 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.642 -0.661 . . . . 1.43 109.465 179.614 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 357' ' ' LYS . . . -65.17 -46.29 81.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.359 -0.838 . . . . 0.66 109.488 -179.779 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.82 -5.6 58.35 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.238 -0.914 . . . . 1.18 109.52 179.832 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.62 -78.11 0.08 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.131 -0.98 . . . . 1.23 109.874 -179.895 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.63 7.92 17.08 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.67 -0.972 . . . . 1.54 110.67 -179.493 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 353' ' ' ALA . 1.0 OUTLIER -84.3 -85.68 0.13 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.801 -1.411 . . . . 4.18 109.321 179.985 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -48.97 107.52 0.78 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.16 -0.963 . . . . 5.71 109.337 179.947 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 357' ' ' LYS . 3.3 Cg_exo -60.7 124.39 14.93 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 121.99 1.793 . . . . 5.61 110.388 -179.871 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.047 -1.418 . . . . 7.24 109.663 179.87 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . . . . . . . . . 76.8 mttt . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.223 0.535 . . . . 7.34 109.594 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 51.8 mttm 61.18 173.88 0.11 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.133 -0.979 . . . . 7.17 109.537 -179.984 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' B' ' 322' ' ' PRO . 0.2 OUTLIER 57.17 60.62 6.95 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.328 -0.858 . . . . 6.44 109.528 -179.949 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' B' ' 321' ' ' LYS . 3.2 Cg_exo -61.55 89.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 121.996 1.797 . . . . 4.54 110.228 179.89 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.9 22.54 1.13 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.395 -0.815 . . . . 4.32 110.039 179.794 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -78.56 -90.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 2.47 109.893 -179.415 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 139.4 31.7 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.974 -1.25 . . . . 0.95 109.974 -179.504 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.55 149.87 37.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.536 -0.979 . . . . 1.61 109.434 179.708 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' B' ' 327' ' ' TYR . 8.8 m-85 -94.98 149.37 21.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.57 109.484 179.814 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' D' ' 331' ' ' GLN . 69.4 m-85 -138.95 -169.01 2.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.281 -0.887 . . . . 0.53 109.774 -179.727 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 26.3 p -152.82 156.9 39.93 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.213 -0.929 . . . . 0.38 109.349 -179.818 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.21 136.11 19.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.36 109.705 -179.617 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' D' ' 328' ' ' PHE . 40.7 tt0 -86.45 132.25 33.98 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.378 -0.827 . . . . 1.36 109.117 179.661 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.556 HD12 ' CD1' ' B' ' 338' ' ' PHE . 44.6 mt -123.9 120.35 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.154 -0.967 . . . . 0.49 109.558 -179.895 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.78 152.38 40.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.303 -0.873 . . . . 2.1 109.538 179.797 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.47 137.09 2.6 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.881 -1.288 . . . . 0.44 109.881 179.626 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.407 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 11.7 ttm180 -81.93 -50.04 9.61 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.258 -1.142 . . . . 2.72 109.457 179.896 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.63 -45.82 88.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.321 -0.862 . . . . 2.21 109.515 179.913 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.408 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 4.0 ttm180 -61.07 -41.36 96.49 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.324 -0.86 . . . . 2.79 109.39 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.556 ' CD1' HD12 ' B' ' 332' ' ' ILE . 72.1 t80 -55.17 -56.64 17.59 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.54 -0.725 . . . . 0.45 109.711 179.991 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.46 -35.42 39.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.388 -0.82 . . . . 1.68 110.005 -179.668 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.79 -47.32 83.97 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.007 -1.058 . . . . 0.43 109.834 -179.596 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.64 -49.01 78.26 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.28 109.213 -179.871 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -51.53 -40.17 59.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.405 -0.809 . . . . 2.52 109.59 179.858 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.74 -42.75 97.97 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.184 -0.947 . . . . 1.75 109.838 -179.672 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 90.5 mt -62.1 -45.54 93.05 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.226 -0.921 . . . . 0.31 109.576 -179.773 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -58.03 -46.08 85.91 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.344 -0.847 . . . . 1.21 109.674 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -36.07 81.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.331 -0.856 . . . . 1.69 109.768 -179.632 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.75 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -59.06 -53.07 62.57 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.91 . . . . 0.27 109.642 -179.729 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.449 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 17.3 mt -61.58 -36.15 79.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.86 . . . . 0.3 109.399 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.23 83.08 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -0.916 . . . . 1.93 109.453 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 19.7 tp -63.26 -43.84 96.85 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -0.872 . . . . 0.4 109.542 -179.889 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.8 -47.46 85.04 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.391 -0.818 . . . . 1.59 109.055 179.762 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.58 -28.65 60.73 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.524 -0.735 . . . . 1.43 109.376 179.687 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' B' ' 357' ' ' LYS . . . -65.09 -46.41 81.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.394 -0.816 . . . . 0.65 109.439 -179.755 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.422 ' NE2' HD21 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -81.79 -5.59 58.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 1.19 109.584 179.793 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.58 -78.16 0.08 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 1.22 109.868 -179.947 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.7 8.03 16.86 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 110.744 -0.943 . . . . 1.53 110.744 -179.476 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' B' ' 353' ' ' ALA . 1.0 OUTLIER -84.26 -85.61 0.13 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.859 -1.377 . . . . 4.21 109.427 179.877 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -48.95 107.53 0.79 Allowed Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 5.68 109.297 179.871 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 357' ' ' LYS . 3.4 Cg_exo -60.85 124.39 14.86 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 121.954 1.769 . . . . 5.57 110.433 -179.835 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 CA-C-O 117.973 -1.46 . . . . 7.2 109.58 179.924 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.238 0.542 . . . . 8.96 109.607 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.26 173.8 0.11 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 8.15 109.673 179.998 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.522 ' N ' ' HD3' ' C' ' 322' ' ' PRO . 0.2 OUTLIER 57.14 60.63 6.97 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.325 -0.86 . . . . 7.15 109.527 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' C' ' 321' ' ' LYS . 3.1 Cg_exo -61.4 89.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.054 1.836 . . . . 4.35 110.209 179.883 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.97 22.58 1.14 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.264 -0.898 . . . . 4.63 110.012 179.824 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -78.56 -90.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.201 -0.937 . . . . 2.85 110.027 -179.572 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.6 139.51 31.88 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.956 -1.258 . . . . 1.12 109.956 -179.565 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.56 149.82 37.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.546 -0.973 . . . . 2.11 109.393 179.709 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' C' ' 327' ' ' TYR . 9.1 m-85 -94.93 149.41 21.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.158 -0.964 . . . . 0.64 109.401 179.862 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 69.4 m-85 -139.0 -168.93 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.271 -0.893 . . . . 0.49 109.728 -179.8 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 25.6 p -152.82 157.04 40.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.183 -0.948 . . . . 0.47 109.302 -179.766 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 11.3 tp -149.42 136.19 19.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.42 109.588 -179.597 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 328' ' ' PHE . 40.5 tt0 -86.58 132.2 33.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.348 -0.845 . . . . 1.81 109.089 179.723 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.558 HD12 ' CD1' ' C' ' 338' ' ' PHE . 44.2 mt -123.78 120.22 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.076 -1.015 . . . . 0.42 109.716 -179.975 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.75 152.4 40.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.482 -0.761 . . . . 2.35 109.544 179.854 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.5 137.11 2.62 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.855 -1.298 . . . . 0.41 109.855 179.675 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.49 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 11.8 ttm180 -82.0 -50.11 9.49 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -1.154 . . . . 2.59 109.362 179.95 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.53 -46.15 87.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.324 -0.86 . . . . 2.54 109.356 179.986 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -60.9 -41.24 95.71 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.276 -0.89 . . . . 3.39 109.333 -179.857 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.558 ' CD1' HD12 ' C' ' 332' ' ' ILE . 71.4 t80 -55.37 -56.5 19.39 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.389 -0.819 . . . . 0.47 109.708 -179.942 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.49 -35.49 40.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.318 -0.864 . . . . 1.66 109.957 -179.748 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.4 ttp -62.73 -47.37 83.88 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.142 -0.974 . . . . 0.61 109.89 -179.599 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.41 -49.16 77.99 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.33 109.312 -179.98 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.47 -40.29 59.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.475 -0.766 . . . . 3.28 109.65 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.5 -42.89 97.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.187 -0.945 . . . . 1.78 109.906 -179.764 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 344' ' ' LEU . 91.2 mt -62.02 -45.56 93.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.879 . . . . 0.38 109.624 -179.784 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.95 -46.19 85.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.384 -0.822 . . . . 1.2 109.787 -179.949 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -36.1 80.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 2.12 109.877 -179.758 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -59.06 -53.04 62.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.944 . . . . 0.26 109.669 -179.697 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.68 -36.12 79.93 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.19 -0.944 . . . . 0.4 109.361 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.31 -38.14 82.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 2.09 109.551 179.826 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.421 HD21 ' NE2' ' D' ' 354' ' ' GLN . 19.7 tp -63.24 -43.93 96.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.75 109.545 -179.976 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.75 -47.48 85.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.297 -0.877 . . . . 2.19 109.068 179.837 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -56.45 -28.83 60.66 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.566 -0.709 . . . . 1.34 109.355 179.636 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' C' ' 357' ' ' LYS . . . -64.91 -46.51 81.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.342 -0.849 . . . . 0.72 109.491 -179.734 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.471 ' NE2' HD21 ' D' ' 350' ' ' LEU . 0.8 OUTLIER -81.75 -5.57 58.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 1.8 109.558 179.839 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.64 -77.96 0.09 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.281 -0.887 . . . . 1.39 109.911 -179.894 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.94 8.11 17.53 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.605 -0.998 . . . . 1.66 110.605 -179.457 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' C' ' 353' ' ' ALA . 1.0 OUTLIER -84.23 -85.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.917 -1.343 . . . . 4.45 109.355 179.831 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.86 107.56 0.79 Allowed Pre-proline 0 N--CA 1.492 1.637 0 O-C-N 121.177 -0.952 . . . . 6.19 109.378 179.879 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' C' ' 357' ' ' LYS . 3.4 Cg_exo -60.78 124.42 14.94 Favored 'Trans proline' 0 C--N 1.314 -1.272 0 C-N-CA 121.986 1.791 . . . . 5.58 110.379 -179.829 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 117.971 -1.461 . . . . 6.9 109.533 179.839 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . . . . . . . . . 77.0 mttt . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.241 0.544 . . . . 7.36 109.61 . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . . . . . . . . . 51.5 mttm 61.31 173.79 0.11 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.198 -0.939 . . . . 7.15 109.576 179.982 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' D' ' 322' ' ' PRO . 0.2 OUTLIER 57.11 60.68 6.97 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.341 -0.849 . . . . 6.5 109.51 179.957 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' D' ' 321' ' ' LYS . 3.1 Cg_exo -61.45 89.27 0.1 OUTLIER 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.016 1.811 . . . . 4.5 110.239 179.85 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.98 22.63 1.14 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.329 -0.857 . . . . 4.32 109.988 179.839 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -78.67 -90.36 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.196 -0.94 . . . . 2.46 109.881 -179.44 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -69.43 139.45 32.04 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.001 -1.24 . . . . 0.97 110.001 -179.566 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.6 149.86 37.95 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.448 -1.03 . . . . 1.67 109.386 179.644 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' D' ' 327' ' ' TYR . 8.9 m-85 -94.97 149.49 21.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.16 -0.962 . . . . 0.61 109.435 179.833 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.471 ' O ' ' HG3' ' B' ' 331' ' ' GLN . 69.5 m-85 -139.08 -169.04 2.56 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.56 109.709 -179.744 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 26.1 p -152.71 157.02 40.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.43 109.347 -179.78 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 11.2 tp -149.3 136.15 19.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 0.35 109.601 -179.579 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' B' ' 328' ' ' PHE . 40.6 tt0 -86.55 132.14 33.99 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.378 -0.826 . . . . 1.37 109.204 179.579 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' D' ' 338' ' ' PHE . 44.4 mt -123.84 120.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.48 109.611 -179.874 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.77 152.33 40.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.45 -0.781 . . . . 2.08 109.649 179.804 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 82.62 137.16 2.68 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.803 -1.319 . . . . 0.4 109.803 179.707 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.439 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 11.8 ttm180 -82.04 -50.06 9.52 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -1.096 . . . . 2.64 109.39 179.929 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -58.55 -46.11 87.52 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.372 -0.83 . . . . 2.22 109.406 179.921 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.449 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 4.0 ttm180 -60.94 -41.29 95.98 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.296 -0.877 . . . . 2.74 109.407 -179.913 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' D' ' 332' ' ' ILE . 71.7 t80 -55.28 -56.54 18.8 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.498 -0.751 . . . . 0.43 109.71 -179.97 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -51.53 -35.42 40.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 1.69 109.982 -179.714 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 10.3 ttp -62.76 -47.34 83.95 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.136 -0.977 . . . . 0.43 109.875 -179.654 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -61.6 -49.0 78.36 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.271 -0.893 . . . . 0.27 109.296 -179.939 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -51.51 -40.22 59.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 2.45 109.599 179.815 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -60.69 -42.73 97.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 1.75 109.896 -179.682 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' D' ' 344' ' ' LEU . 90.6 mt -62.0 -45.68 92.54 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.31 109.555 -179.848 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -57.93 -46.18 85.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.391 -0.818 . . . . 1.22 109.727 -179.858 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -36.13 81.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 1.73 109.862 -179.688 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.709 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.95 -53.05 62.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.266 -0.896 . . . . 0.28 109.688 -179.75 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.408 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 17.4 mt -61.66 -36.1 79.86 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.26 -0.9 . . . . 0.31 109.368 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.32 -38.19 82.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.326 -0.859 . . . . 1.91 109.464 179.823 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.471 HD21 ' NE2' ' C' ' 354' ' ' GLN . 19.5 tp -63.18 -43.89 96.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.343 -0.848 . . . . 0.43 109.565 -179.914 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -61.95 -47.36 85.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.383 -0.823 . . . . 1.57 109.072 179.862 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.46 -28.7 60.36 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.626 -0.671 . . . . 1.44 109.442 179.517 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' D' ' 357' ' ' LYS . . . -65.09 -46.34 81.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -0.877 . . . . 0.64 109.475 -179.722 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.421 ' NE2' HD21 ' C' ' 350' ' ' LEU . 0.8 OUTLIER -81.86 -5.59 58.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.295 -0.878 . . . . 1.21 109.489 179.868 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -71.6 -78.02 0.09 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.266 -0.896 . . . . 1.22 109.919 -179.914 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -74.83 8.02 17.55 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.613 -0.995 . . . . 1.5 110.613 -179.445 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' D' ' 353' ' ' ALA . 1.0 OUTLIER -84.24 -85.74 0.13 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.81 -1.406 . . . . 4.18 109.303 179.936 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.9 107.59 0.8 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 5.67 109.361 179.933 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' D' ' 357' ' ' LYS . 3.5 Cg_exo -60.92 124.37 14.81 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 121.984 1.789 . . . . 5.65 110.331 -179.748 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 118.033 -1.426 . . . . 7.27 109.562 179.816 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.22 0.533 . . . . 7.33 109.624 . . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 319' ' ' LYS . 9.3 ptmt 40.84 84.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.369 -0.832 . . . . 7.21 109.788 -179.891 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.83 79.5 0.33 Allowed Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 6.47 109.076 -179.926 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.53 -3.12 8.5 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.352 2.035 . . . . 4.53 111.008 -179.386 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 40.7 mt -82.4 98.69 8.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.858 -1.151 . . . . 4.35 109.542 179.829 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.88 -107.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.339 -0.85 . . . . 2.48 109.421 179.816 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.11 161.46 53.17 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.533 -1.427 . . . . 0.98 109.533 179.78 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.9 138.16 57.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -1.106 . . . . 1.7 109.384 179.935 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 327' ' ' TYR . 8.3 m-85 -93.72 158.49 15.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.61 109.527 -179.88 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 72.0 m-85 -138.24 -166.51 2.0 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.203 -0.935 . . . . 0.58 109.601 -179.744 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.95 156.74 40.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -0.892 . . . . 0.42 109.498 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.98 132.54 16.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.926 . . . . 0.36 109.585 -179.541 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 40.4 tt0 -86.64 127.24 34.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 1.37 109.414 179.97 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 44.3 mt -123.8 117.43 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.198 -0.939 . . . . 0.47 109.622 -179.994 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.493 ' NH1' ' HG2' ' A' ' 333' ' ' ARG . 1.0 OUTLIER -73.48 154.3 39.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 2.1 109.437 179.986 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.483 ' N ' ' HG2' ' A' ' 333' ' ' ARG . . . 88.56 128.26 3.03 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.744 -1.342 . . . . 0.42 109.744 179.717 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.547 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 1.2 ttt-85 -77.07 -52.41 9.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.308 -1.113 . . . . 2.68 109.261 179.807 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -59.41 -47.1 86.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.86 . . . . 2.22 109.479 179.877 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.94 -42.66 98.6 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.296 -0.877 . . . . 2.77 109.564 -179.903 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.04 -55.94 25.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.355 -0.841 . . . . 0.43 109.659 -179.88 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.62 -34.42 26.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.288 -0.882 . . . . 1.66 109.848 -179.706 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.4 -49.08 75.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.145 -0.972 . . . . 0.44 110.088 -179.646 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.18 -53.24 59.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.306 -0.872 . . . . 0.29 109.299 -179.781 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.65 41.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.396 -0.815 . . . . 2.44 109.717 179.745 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.9 -44.97 96.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.259 -0.901 . . . . 1.74 109.864 -179.797 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.41 97.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.3 109.403 -179.887 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.01 -47.83 81.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.302 -0.874 . . . . 1.22 109.549 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -36.28 80.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 1.72 109.92 -179.703 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -60.24 -46.82 88.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.27 109.971 -179.731 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.91 -47.75 83.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.317 -0.864 . . . . 0.29 109.817 -179.558 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.14 -34.66 72.32 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.246 -0.909 . . . . 1.91 109.769 -179.782 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.659 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.1 tt -64.86 -47.13 79.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.272 -0.892 . . . . 0.41 109.561 -179.861 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -61.18 -39.1 88.91 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.363 -0.836 . . . . 1.56 109.185 -179.946 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -56.57 -40.39 75.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.443 -0.786 . . . . 1.43 109.557 179.698 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.16 -29.87 68.86 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.66 109.516 -179.954 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.688 ' NE2' HD11 ' B' ' 350' ' ' LEU . 8.9 mt-30 -82.33 -5.11 58.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.267 -0.895 . . . . 1.18 109.718 -179.854 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.55 -81.19 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 1.23 109.59 -179.884 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.47 67.83 3.66 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.823 -1.311 . . . . 1.54 109.823 -179.817 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 357' ' ' LYS . 15.2 tttt -87.04 16.05 5.41 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.151 -1.206 . . . . 4.18 109.576 179.976 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.05 155.9 1.48 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.146 -0.971 . . . . 5.71 109.496 -179.908 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.19 -167.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.234 1.956 . . . . 5.61 110.326 179.926 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.987 -1.451 . . . . 7.24 109.571 179.996 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.22 0.533 . . . . 7.34 109.616 . . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' B' ' 319' ' ' LYS . 9.2 ptmt 40.98 84.79 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.503 -0.748 . . . . 7.17 109.75 -179.917 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.69 79.55 0.33 Allowed Pre-proline 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 6.44 109.068 -179.866 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.6 -3.0 8.36 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.326 2.017 . . . . 4.54 111.081 -179.513 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 42.0 mt -82.49 98.74 9.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.887 -1.133 . . . . 4.32 109.483 179.779 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.9 -107.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 2.47 109.38 179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.3 161.47 53.37 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.409 -1.476 . . . . 0.95 109.409 179.912 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.88 138.13 57.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.177 -1.19 . . . . 1.61 109.396 179.976 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' B' ' 327' ' ' TYR . 8.3 m-85 -93.67 158.5 15.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.885 . . . . 0.57 109.567 -179.929 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.506 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.54 2.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.289 -0.882 . . . . 0.53 109.564 -179.791 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 13.4 p -151.82 156.74 40.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.38 109.522 -179.687 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' D' ' 329' ' ' THR . 13.3 tp -148.97 132.56 16.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.948 . . . . 0.36 109.595 -179.628 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 40.4 tt0 -86.59 127.33 34.9 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.38 -0.825 . . . . 1.36 109.413 179.896 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 44.4 mt -123.94 117.51 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.166 -0.959 . . . . 0.49 109.548 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.498 ' HG2' ' NH1' ' B' ' 333' ' ' ARG . 1.0 OUTLIER -73.52 154.27 39.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.287 -0.883 . . . . 2.1 109.523 179.925 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.481 ' N ' ' HG2' ' B' ' 333' ' ' ARG . . . 88.48 128.31 3.02 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.768 -1.333 . . . . 0.44 109.768 179.762 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.565 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 1.2 ttt-85 -77.06 -52.34 9.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.334 -1.098 . . . . 2.72 109.256 179.875 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.47 -47.2 86.42 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.345 -0.847 . . . . 2.21 109.42 179.902 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.83 -42.69 98.22 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.279 -0.888 . . . . 2.79 109.591 -179.933 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -54.92 -56.06 23.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -0.83 . . . . 0.45 109.618 -179.898 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -50.57 -34.61 26.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 1.68 109.736 -179.619 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.24 -49.12 75.39 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.211 -0.93 . . . . 0.43 110.132 -179.586 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.07 -53.37 57.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.94 . . . . 0.28 109.279 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.03 -36.82 41.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.475 -0.765 . . . . 2.52 109.524 179.872 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.74 -45.04 95.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.136 -0.978 . . . . 1.75 109.897 -179.743 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -41.47 97.79 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.31 109.348 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -57.99 -47.83 81.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.395 -0.816 . . . . 1.21 109.588 179.911 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -36.41 81.14 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -0.862 . . . . 1.69 109.917 -179.698 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.96 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -60.27 -46.76 88.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.137 -0.977 . . . . 0.27 109.915 -179.59 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.98 -47.58 84.18 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.207 -0.933 . . . . 0.3 109.888 -179.563 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.22 -34.71 72.51 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.283 -0.885 . . . . 1.93 109.713 -179.84 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.688 HD11 ' NE2' ' A' ' 354' ' ' GLN . 1.1 tt -64.83 -47.1 79.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.4 109.578 -179.822 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 350' ' ' LEU . 18.8 ttmm -61.21 -39.14 89.12 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.495 -0.753 . . . . 1.59 109.089 -179.999 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -56.64 -40.42 75.38 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.431 -0.793 . . . . 1.43 109.433 179.809 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.96 69.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.294 -0.879 . . . . 0.65 109.541 -179.971 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.624 ' NE2' HD11 ' A' ' 350' ' ' LEU . 9.1 mt-30 -82.3 -5.09 58.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.173 -0.954 . . . . 1.19 109.779 -179.886 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.53 -81.23 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.209 -0.932 . . . . 1.22 109.581 -179.895 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.45 67.79 3.67 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.793 -1.323 . . . . 1.53 109.793 -179.774 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 357' ' ' LYS . 15.2 tttt -87.05 16.18 5.29 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.114 -1.227 . . . . 4.21 109.691 179.938 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -50.05 155.9 1.48 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.164 -0.96 . . . . 5.68 109.621 179.962 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.26 -167.35 0.06 OUTLIER 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.191 1.928 . . . . 5.57 110.336 -179.978 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.392 0 CA-C-O 117.908 -1.495 . . . . 7.2 109.493 -179.999 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.176 0.513 . . . . 8.96 109.659 . . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' C' ' 319' ' ' LYS . 9.3 ptmt 40.86 84.73 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.463 -0.773 . . . . 8.15 109.779 -179.908 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.72 79.52 0.33 Allowed Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.264 -0.897 . . . . 7.15 109.188 -179.847 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.5 -3.08 8.39 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.251 1.967 . . . . 4.35 111.074 -179.392 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 41.4 mt -82.57 98.93 9.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.974 -1.079 . . . . 4.63 109.363 179.973 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.96 -107.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.366 -0.834 . . . . 2.85 109.393 179.776 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.26 161.57 53.31 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.39 -1.484 . . . . 1.12 109.39 179.868 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.06 138.15 57.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.196 -1.179 . . . . 2.11 109.354 -179.99 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 333' ' ' ARG . 8.3 m-85 -93.67 158.45 15.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.248 -0.908 . . . . 0.64 109.49 -179.859 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 71.8 m-85 -138.34 -166.5 2.0 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.199 -0.938 . . . . 0.49 109.599 -179.794 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 13.6 p -151.85 156.74 40.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.47 109.528 -179.68 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.92 132.66 16.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.908 . . . . 0.42 109.6 -179.652 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 40.4 tt0 -86.7 127.33 34.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 1.81 109.387 179.915 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.86 117.42 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.217 -0.927 . . . . 0.42 109.578 -179.964 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.496 ' NH1' ' HG2' ' C' ' 333' ' ' ARG . 1.0 OUTLIER -73.43 154.25 40.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.323 -0.86 . . . . 2.35 109.541 179.898 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' C' ' 333' ' ' ARG . . . 88.6 128.31 3.06 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.721 -1.352 . . . . 0.41 109.721 179.706 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.525 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 1.2 ttt-85 -77.17 -52.38 9.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.253 -1.145 . . . . 2.59 109.28 179.738 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.4 -47.15 86.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.896 . . . . 2.54 109.415 179.819 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -60.85 -42.77 98.46 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.344 -0.848 . . . . 3.39 109.511 -179.867 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -54.93 -56.11 23.19 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.381 -0.825 . . . . 0.47 109.625 -179.809 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.43 -34.57 25.08 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 1.66 109.868 -179.739 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.32 -49.07 75.4 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.267 -0.895 . . . . 0.61 110.121 -179.656 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -61.13 -53.37 57.84 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.28 -0.887 . . . . 0.33 109.286 -179.819 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.366 -0.834 . . . . 3.28 109.618 179.836 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.85 -45.07 95.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.206 -0.934 . . . . 1.78 109.794 -179.791 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 67.9 mt -61.8 -41.35 97.63 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.246 -0.908 . . . . 0.38 109.389 -179.812 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -58.03 -47.79 82.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.4 -0.812 . . . . 1.2 109.622 179.892 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -36.43 81.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 2.12 109.822 -179.717 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -60.2 -46.78 88.55 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.26 110.04 -179.625 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.92 -47.71 83.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.4 109.889 -179.665 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.13 -34.72 72.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 2.09 109.722 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.736 HD11 ' NE2' ' D' ' 354' ' ' GLN . 1.1 tt -64.81 -47.18 78.99 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.75 109.584 -179.848 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' D' ' 350' ' ' LEU . 18.8 ttmm -61.13 -39.12 88.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.421 -0.8 . . . . 2.19 109.132 -179.936 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.62 -40.4 75.31 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.376 -0.828 . . . . 1.34 109.485 179.743 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -29.75 68.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.352 -0.842 . . . . 0.72 109.543 -179.925 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.592 ' NE2' HD11 ' D' ' 350' ' ' LEU . 9.0 mt-30 -82.38 -5.23 58.49 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.282 -0.886 . . . . 1.8 109.732 -179.892 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.43 -81.12 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.203 -0.936 . . . . 1.39 109.633 -179.865 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.55 67.94 3.64 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.85 -1.3 . . . . 1.66 109.85 -179.843 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' C' ' 357' ' ' LYS . 15.2 tttt -87.08 16.03 5.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.208 -1.172 . . . . 4.45 109.608 -179.965 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -49.97 155.93 1.44 Allowed Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.2 -0.938 . . . . 6.19 109.576 -179.945 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -62.35 -167.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.181 1.921 . . . . 5.58 110.228 -179.981 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 118.01 -1.439 . . . . 6.9 109.505 179.974 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.623 -0.51 . . . . 7.36 109.623 . . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' D' ' 319' ' ' LYS . 9.3 ptmt 40.97 84.68 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.501 -0.75 . . . . 7.15 109.771 -179.97 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt 56.88 79.43 0.33 Allowed Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.885 . . . . 6.5 109.091 -179.892 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.64 -2.9 8.25 Favored 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.274 1.982 . . . . 4.5 111.001 -179.379 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 mt -82.55 98.73 9.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.883 -1.136 . . . . 4.32 109.516 179.757 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -82.88 -107.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 2.46 109.388 179.876 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -70.2 161.55 53.24 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.467 -1.453 . . . . 0.97 109.467 179.815 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.99 138.1 57.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 1.67 109.422 179.93 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' B' ' 333' ' ' ARG . 8.3 m-85 -93.68 158.48 15.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.61 109.532 -179.894 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 72.1 m-85 -138.27 -166.51 2.0 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.288 -0.882 . . . . 0.56 109.674 -179.754 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 330' ' ' LEU . 13.6 p -151.91 156.64 40.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.142 -0.974 . . . . 0.43 109.518 -179.713 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.3 tp -148.85 132.62 16.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.168 -0.957 . . . . 0.35 109.569 -179.602 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 40.5 tt0 -86.63 127.37 34.93 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.211 -0.931 . . . . 1.37 109.328 179.91 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 44.2 mt -123.88 117.49 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.259 -0.901 . . . . 0.48 109.588 179.942 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.491 ' HG2' ' NH1' ' D' ' 333' ' ' ARG . 1.0 OUTLIER -73.56 154.32 39.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.289 -0.882 . . . . 2.08 109.515 179.921 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' D' ' 333' ' ' ARG . . . 88.47 128.43 3.04 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.781 -1.328 . . . . 0.4 109.781 179.769 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.506 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 1.2 ttt-85 -77.16 -52.37 9.38 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -1.162 . . . . 2.64 109.306 179.792 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -59.46 -46.97 87.26 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 2.22 109.488 179.835 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -61.01 -42.69 98.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.333 -0.854 . . . . 2.74 109.512 -179.89 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -55.01 -55.97 25.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.43 109.63 -179.831 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -50.57 -34.51 25.97 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.316 -0.865 . . . . 1.69 109.801 -179.658 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.8 ttp -63.37 -49.07 75.29 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.192 -0.942 . . . . 0.43 110.063 -179.575 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.1 -53.41 57.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.168 -0.958 . . . . 0.27 109.263 -179.837 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -51.1 -36.69 41.68 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.371 -0.831 . . . . 2.45 109.555 179.908 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.93 -44.92 96.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.91 . . . . 1.75 109.837 -179.767 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 67.0 mt -61.82 -41.43 97.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.327 -0.858 . . . . 0.31 109.372 -179.906 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.97 -47.84 81.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.257 -0.902 . . . . 1.22 109.596 179.898 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -36.33 81.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 1.73 109.855 -179.686 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.925 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -60.36 -46.81 88.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.895 . . . . 0.28 109.975 -179.679 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.81 -47.65 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.31 109.918 -179.668 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -59.16 -34.76 72.47 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 1.91 109.703 -179.772 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.643 ' O ' HD23 ' D' ' 350' ' ' LEU . 1.1 tt -64.88 -47.0 79.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.289 -0.882 . . . . 0.43 109.614 -179.758 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -61.25 -38.96 88.56 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.409 -0.807 . . . . 1.57 109.186 179.994 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -56.54 -40.6 75.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.399 -0.813 . . . . 1.44 109.521 179.647 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.78 68.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.889 . . . . 0.64 109.662 -179.987 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.736 ' NE2' HD11 ' C' ' 350' ' ' LEU . 9.0 mt-30 -82.45 -5.07 58.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.232 -0.917 . . . . 1.21 109.703 -179.879 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.52 -81.16 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.197 -0.94 . . . . 1.22 109.629 -179.929 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -83.41 67.78 3.67 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.865 -1.294 . . . . 1.5 109.865 -179.827 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' D' ' 357' ' ' LYS . 15.2 tttt -87.12 16.28 5.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.24 -1.153 . . . . 4.18 109.649 179.992 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -50.13 155.87 1.53 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.107 -0.996 . . . . 5.67 109.561 179.945 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.35 -167.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.159 1.906 . . . . 5.65 110.276 -179.941 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 118.072 -1.405 . . . . 7.27 109.604 -179.981 . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' D' D ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 076 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_